data_r5l0csf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-08-31 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5l0c 
_cell.length_a      114.5200 
_cell.length_b      100.6760 
_cell.length_c      105.6150 
_cell.angle_alpha   90.0000 
_cell.angle_beta    122.4900 
_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   0.97000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   3.100 
_diffrn_reflns.pdbx_d_res_low    89.085 
_diffrn_reflns.limit_h_max       31 
_diffrn_reflns.limit_h_min       -36 
_diffrn_reflns.limit_k_max       32 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       34 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            18484 
_diffrn_reflns.pdbx_number_obs   18126 
# 
_entry.id   5l0c 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5l0c 
_symmetry.space_group_name_H-M   "C 1 2 1" 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X,  Y,  -Z"         
3 "X+1/2,  Y+1/2,  Z"   
4 "-X+1/2,  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 -36 0  12 o 41.95123 18.95726 42.05882       49.85005 76.97912      69.36857 4.766598       71.68575 48.52419 29.22785 35.37827 24.15043 -0.000000      0.000000 
1 1 1 -36 0  13 o 53.86189 21.21387 92.98267       48.55403 115.6724      64.74243 63.81783       73.40137 62.16048 31.31711 45.56329 28.62432 -0.000000      0.000000 
1 1 1 -36 0  14 o 41.99365 18.80092 17.99254       48.82298 -45.34552     64.68135 101.8695       74.43341 28.70126 20.31503 55.28604 31.64170 -0.000000      0.000000 
1 1 1 -36 0  15 o 46.60301 19.31800 45.63281       48.29676 109.7279      66.18373 -27.37890      70.63747 61.06141 31.46036 32.14461 22.42735 -0.000000      0.000000 
1 1 1 -36 0  16 o 42.35682 18.67353 24.96545       48.98401 87.30342      67.34884 -45.04648      71.37396 53.96190 30.40854 30.75173 21.68232 -0.000000      0.000000 
1 1 1 -36 0  17 o 95.13940 21.74871 192.8240       49.64580 211.7661      70.36747 174.0508       70.05310 103.2631 29.22049 87.01570 32.22093 -0.000000      0.000000 
1 1 1 -36 0  18 o 28.09492 14.23129 -76.49528      50.20706 -65.18894     70.51043 -88.12349      71.50706 28.86487 20.57134 27.32498 19.67076 -0.000000      0.000000 
1 1 1 -36 0  19 o 53.16646 21.47856 80.71470       53.55245 30.25921      79.34866 122.9215       72.57327 41.61151 27.46170 64.72141 33.03283 -0.000000      0.000000 
1 1 1 -36 0  20 o 30.70041 15.29087 -42.37566      49.43974 -49.88952     67.40689 -33.62743      72.73319 29.30725 20.74292 32.09356 22.47163 -0.000000      0.000000 
1 1 1 -36 0  21 o 48.37345 20.67658 56.95757       52.39485 5.909984      70.07363 121.6831       78.90507 36.02251 24.38964 60.72439 33.39505 -0.000000      0.000000 
1 1 1 -36 0  22 o 55.69053 21.66526 97.97785       52.33534 137.3178      70.65449 50.15345       77.90182 68.08129 32.99516 43.29977 28.08655 -0.000000      0.000000 
1 1 1 -36 0  23 o 48.80395 21.11519 78.21607       54.51107 101.0792      74.63226 52.07161       79.80837 54.27274 31.41018 43.33515 28.22774 -0.000000      0.000000 
1 1 1 -36 0  24 o 40.54273 19.16866 33.09509       58.14109 51.92040      81.32584 13.41465       83.15244 43.16804 28.24977 37.91743 25.91718 -0.000000      0.000000 
1 1 1 -36 2  12 o 34.90961 11.87512 -30.20995      33.00717 -17.07296     45.45540 -44.86349      48.00745 36.31094 17.23293 33.50829 16.34318 2.802654       23.75024 
1 1 1 -36 2  13 o 38.86869 12.84214 -6.288854      33.34713 8.224380      48.23490 -19.57677      46.15384 41.45969 19.02032 36.27769 17.26006 5.182003       25.68428 
1 1 1 -36 2  14 o 62.41624 13.36957 56.09158       34.38390 -37.88271     47.43664 160.1208       49.90995 34.41249 16.65918 90.42000 20.91539 -56.00750      26.73914 
1 1 1 -36 2  15 o 46.44398 14.23207 23.85483       35.27712 -16.44220     52.97915 55.95377       47.28395 39.39221 18.66892 53.49575 21.48670 -14.10353      28.46414 
1 1 1 -36 2  16 o 32.44902 11.28853 -66.54694      34.23746 -40.64110     49.99273 -89.42963      46.98524 35.55501 17.18559 29.34303 14.64170 6.211975       22.57706 
1 1 1 -36 2  17 o 59.67154 15.98025 72.81313       36.14931 54.13510      52.62898 89.49622       49.73903 54.03143 22.30417 65.31165 22.89099 -11.28022      31.96049 
1 1 1 -36 2  18 o 60.44436 16.30628 75.80988       36.94035 70.03426      51.98755 81.69978       52.49931 58.66397 22.85106 62.22475 23.26817 -3.560772      32.61255 
1 1 1 -36 2  19 o 74.81203 16.58007 118.3688       37.51948 136.6279      53.93795 101.2513       52.22463 81.02513 23.40821 68.59892 23.48724 12.42621       33.16014 
1 1 1 -36 2  20 o 49.54563 14.19431 8.985818       36.92117 98.40288      52.39668 -79.19778      52.03403 66.93635 23.49267 32.15491 15.93764 34.78143       28.38862 
1 1 1 -36 2  21 o 56.97600 15.38034 62.47568       36.71796 14.49851      52.46036 108.5503       51.40966 44.08451 20.07647 69.86749 23.30568 -25.78297      30.76068 
1 1 1 -36 2  22 o 52.21111 15.66181 54.51772       38.46106 45.57438      55.67958 62.67920       53.19010 50.18575 21.88670 54.23648 22.40851 -4.050739      31.32362 
1 1 1 -36 2  23 o 66.40596 17.05565 107.7700       40.48225 83.78318      57.38403 131.5349       57.11797 58.93359 23.67065 73.87833 24.56179 -14.94474      34.11131 
1 1 1 -36 2  24 o 51.99959 15.72967 51.73033       40.35007 20.30400      55.84403 86.06016       58.36678 44.85836 20.53755 59.14081 23.83064 -14.28245      31.45934 
1 1 1 -36 4  13 o 39.96686 13.12355 0.8163720      33.98531 6.214430      46.95716 -5.121645      49.24972 40.64205 18.68999 39.29166 18.42810 1.350388       26.24711 
1 1 1 -36 4  14 o 49.88902 15.00571 45.86349       35.48520 34.46854      49.86630 57.55321       50.50714 47.05272 20.61119 52.72533 21.81430 -5.672604      30.01141 
1 1 1 -36 4  15 o 47.31860 14.09982 19.55295       33.74077 81.54062      50.69305 -29.74975      45.20965 60.02650 22.77296 34.61071 16.63166 25.41578       28.19964 
1 1 1 -36 4  16 o 55.81539 14.78411 59.62549       35.72807 -2.086486     55.16292 104.2205       46.89275 41.72946 19.54960 69.90132 22.18318 -28.17186      29.56823 
1 1 1 -36 4  17 o 49.46922 14.90062 40.56027       35.72361 20.62004      52.45925 57.80333       48.78251 45.22825 20.38802 53.71019 21.73573 -8.481937      29.80123 
1 1 1 -36 4  18 o 53.08264 15.44801 51.91384       38.04660 14.43811      56.07718 83.87871       51.79020 44.82502 20.54362 61.34025 23.07647 -16.51523      30.89602 
1 1 1 -36 4  19 o 40.02692 13.19684 -19.36087      36.70654 -70.92474     51.83447 32.50819       51.98765 32.54167 16.08925 47.51217 20.92277 -14.97050      26.39368 
1 1 1 -36 4  20 o 45.45885 14.56796 19.25768       38.77655 40.28387      55.91441 -0.2243159     53.82205 49.28907 21.70216 41.62862 19.44012 7.660454       29.13592 
1 1 1 -36 4  21 o 43.07164 20.00753 7.585737       55.81645 0.000000      0.000000 7.585737       55.81645 ?        ?        43.07164 20.00753 ?              ?        
1 1 1 -36 4  22 o 45.12865 14.56648 19.72600       39.45716 36.69432      57.12149 4.240947       54.56778 48.14779 21.52258 42.10951 19.63434 6.038280       29.13296 
1 1 1 -36 4  23 f 41.31234 13.73072 -2.112479      39.35775 -19.33151     58.80544 11.85932       52.97115 39.70798 19.05104 42.91670 19.77850 -3.208714      27.46145 
1 1 1 -36 6  15 o 121.0402 13.24157 274.7524       38.87655 182.4567      56.91758 355.4678       53.22724 92.59276 22.94551 149.4877 13.22346 -56.89494      26.48314 
1 1 1 -36 6  16 f 46.13975 14.17152 24.37090       35.82380 -23.75269     53.47076 63.56371       48.25480 37.84213 18.15864 54.43736 21.76217 -16.59523      28.34304 
1 1 1 -36 6  17 o 34.73190 12.00156 -53.59449      36.55293 -13.14989     54.22259 -87.28502      49.48846 39.49199 18.76558 29.97181 14.96671 9.520178       24.00311 
1 1 1 -36 6  18 o 44.58273 14.23758 21.14369       36.45723 30.63702      51.93900 11.92368       51.18587 46.43712 20.65697 42.72835 19.59908 3.708775       28.47515 
1 1 1 -36 6  19 o 52.08922 15.60431 54.93099       38.12455 42.17357      53.51968 68.07366       54.32177 48.99815 21.41092 55.18028 22.70573 -6.182125      31.20861 
1 1 1 -36 6  20 o 56.28732 16.06925 72.08864       37.91261 81.42748      52.48099 61.89542       54.82912 59.08928 22.97517 53.48535 22.47275 5.603928       32.13850 
1 1 1 -36 6  21 o 43.68053 14.26228 13.04751       39.27141 3.439446      54.85552 23.14918       56.24694 41.93555 19.59770 45.42551 20.72633 -3.489960      28.52456 
1 1 1 -35 1  9  o 40.45653 13.08811 0.1228884      32.89619 32.12148      47.34568 -29.74250      45.74031 46.22536 20.17032 34.68769 16.68391 11.53768       26.17623 
1 1 1 -35 1  10 o 56.85946 15.02778 63.31048       32.53961 35.49911      45.38186 92.73767       46.68158 47.64085 20.25210 66.07806 22.20785 -18.43720      30.05555 
1 1 1 -35 1  11 o 40.17565 12.77061 -5.834998      30.24510 30.32613      43.76225 -38.90177      41.84799 47.37367 19.99992 32.97763 15.88576 14.39604       25.54123 
1 1 1 -35 1  12 o 79.02438 14.55349 112.8996       31.66032 91.81419      43.81387 135.9411       45.80114 70.14162 21.31399 87.90713 19.82247 -17.76550      29.10699 
1 1 1 -35 1  13 o 62.20579 15.48866 70.47480       32.13471 71.45624      48.06792 69.68172       43.20996 62.29723 22.43523 62.11436 21.36013 0.1828690      30.97733 
1 1 1 -35 1  14 o 49.88816 14.64446 28.78130       33.16326 8.969930      47.55508 47.53733       46.27114 44.91580 19.88309 54.86053 21.50591 -9.944729      29.28893 
1 1 1 -35 1  15 o 45.33415 13.83748 2.858239       32.78770 44.44720      47.82815 -34.01563      45.03539 54.45802 21.70007 36.21028 17.17586 18.24773       27.67495 
1 1 1 -35 1  16 o 55.73740 15.34527 46.77156       33.56382 63.03676      48.33257 31.62222       46.64522 60.71129 22.39974 50.76350 20.98001 9.947792       30.69053 
1 1 1 -35 1  17 o 65.78876 15.81239 76.25974       34.33931 56.24716      49.02848 95.53011       48.11075 58.60749 22.35715 72.97003 22.36703 -14.36254      31.62477 
1 1 1 -35 1  18 o 52.75111 15.15520 31.70194       35.34534 1.188649      49.28270 64.02100       50.72001 44.32579 19.88998 61.17644 22.87159 -16.85065      30.31041 
1 1 1 -35 1  19 o 80.14404 16.09273 116.6537       36.45060 108.6264      51.92677 124.4516       51.17923 76.91140 23.16620 83.37669 22.34347 -6.465286      32.18546 
1 1 1 -35 1  20 o 66.07924 16.22891 79.27684       35.63906 65.76073      49.87812 93.37521       50.94118 61.23365 22.72266 70.92483 23.17738 -9.691181      32.45782 
1 1 1 -35 1  21 o 43.13550 13.94538 -5.686275      36.30855 -12.23050     51.59602 0.7336416      51.10362 42.04578 19.42715 44.22521 20.01201 -2.179428      27.89076 
1 1 1 -35 1  22 o 46.78077 14.64003 11.56742       37.37007 35.15774      51.99482 -13.63987      53.74726 51.44230 21.76332 42.11925 19.58775 9.323051       29.28006 
1 1 1 -35 1  23 o 43.09816 13.97593 -14.11707      38.29264 -57.35973     53.08215 32.80347       55.29346 35.55287 17.30626 50.64345 21.94993 -15.09058      27.95185 
1 1 1 -35 1  24 f 67.50590 17.15879 99.93104       39.77379 96.84854      56.29191 103.0041       56.20546 66.49079 24.22836 68.52100 24.30397 -2.030212      34.31759 
1 1 1 -35 1  25 o 39.28052 13.29445 -24.64089      39.79129 -45.65015     54.19870 -0.7574758E-01 58.60616 35.80575 17.44202 42.75528 20.06853 -6.949535      26.58891 
1 1 1 -35 1  26 o 53.54424 15.61665 58.11442       38.48734 90.88490      53.75876 23.65633       55.12561 61.66973 23.43821 45.41875 20.64387 16.25099       31.23330 
1 1 1 -35 3  9  o 47.76880 13.58705 33.05666       29.27913 72.62991      42.38705 -3.056891      40.49183 58.43505 21.06507 37.10254 17.16668 21.33251       27.17411 
1 1 1 -35 3  10 o 85.96701 14.17210 143.4729       32.86203 108.3582      46.19932 179.4350       46.75351 71.70360 21.90810 100.2304 17.98414 -28.52683      28.34421 
1 1 1 -35 3  11 o 65.36720 15.11843 84.88245       30.85845 74.45149      43.33640 95.61134       43.95097 61.21235 21.37184 69.52205 21.38955 -8.309696      30.23687 
1 1 1 -35 3  12 o 50.80982 14.36389 40.13232       30.20092 26.14145      42.60789 54.25885       42.81396 46.45142 19.67919 55.16823 20.92881 -8.716812      28.72779 
1 1 1 -35 3  13 f 104.6950 12.11509 178.5819       33.30526 165.0533      47.05243 192.1663       47.14923 99.15659 18.29696 110.2334 15.88466 -11.07684      24.23017 
1 1 1 -35 3  14 o 143.7350 9.431484 310.2188       36.30742 308.1043      53.93876 311.9706       49.09525 142.4632 14.06096 145.0069 12.57382 -2.543716      18.86297 
1 1 1 -35 3  15 o 45.95472 14.09751 5.694268       33.62226 45.29269      50.19855 -26.52328      45.27918 54.60570 22.06617 37.30373 17.55116 17.30197       28.19502 
1 1 1 -35 3  16 o 60.08448 15.87395 62.39319       34.42751 64.54697      51.16556 60.61135       46.53840 60.75946 22.92025 59.40950 21.96797 1.349968       31.74791 
1 1 1 -35 3  17 o 52.86748 15.04761 33.60594       35.98018 -10.26252     54.21312 68.14004       48.10079 43.59646 20.06103 62.13849 22.43384 -18.54203      30.09522 
1 1 1 -35 3  18 f 47.89072 14.64229 15.54205       35.87701 -12.11024     52.99305 38.94148       48.74790 42.85081 19.76023 52.93062 21.61295 -10.07981      29.28458 
1 1 1 -35 3  19 o 39.66701 13.13315 -27.55033      35.85604 -55.35001     52.80051 -3.758619      48.84623 36.50279 17.64801 42.83123 19.45420 -6.328438      26.26629 
1 1 1 -35 3  20 o 44.53540 14.21282 2.109689       36.16936 6.139055      51.84779 -1.710182      50.48196 45.50949 20.41249 43.56131 19.78251 1.948181       28.42564 
1 1 1 -35 3  21 o 87.79111 15.51250 140.4305       36.56256 135.3092      50.88252 145.8978       52.57346 86.10030 21.89691 89.48192 21.97898 -3.381622      31.02500 
1 1 1 -35 3  22 o 43.86901 14.09136 2.774767       36.21647 2.874641      49.91298 2.663722       52.63065 43.49084 19.71974 44.24719 20.13448 -0.7563553     28.18272 
1 1 1 -35 3  23 o 39.70390 13.28939 -22.82433      37.76425 -18.47174     53.32844 -27.20257      53.48533 40.30217 18.98787 39.10564 18.59819 1.196522       26.57878 
1 1 1 -35 3  24 o 51.99921 15.50216 48.16911       37.01352 39.74005      50.30212 58.12153       54.65891 49.61805 21.21247 54.38038 22.61192 -4.762325      31.00431 
1 1 1 -35 3  25 o 92.23982 15.58922 177.6342       38.68140 201.1122      52.49076 149.7326       57.22255 103.6975 19.51500 80.78212 24.31585 22.91541       31.17845 
1 1 1 -35 3  26 o 79.53500 16.69122 147.7740       39.58665 163.9806      52.09879 125.6351       60.89203 89.25499 21.85299 69.81500 25.23557 19.43999       33.38244 
1 1 1 -35 5  10 o 50.41016 13.65258 30.15348       32.71128 98.34772      45.54081 -42.53011      47.01593 67.34067 21.90997 33.47965 16.29495 33.86102       27.30517 
1 1 1 -35 5  11 o 67.07280 15.63535 97.09624       33.42204 113.9654      46.91558 79.71362       47.62418 73.72183 21.97830 60.42377 22.24436 13.29807       31.27071 
1 1 1 -35 5  12 o 60.14466 15.52772 73.48338       32.99775 82.87128      46.08313 63.60516       47.27129 63.60279 22.04817 56.68653 21.87049 6.916252       31.05544 
1 1 1 -35 5  13 o 78.43907 15.71286 118.4218       34.67203 138.0038      52.00873 102.7570       46.51692 84.23762 22.50237 72.64052 21.93672 11.59710       31.42573 
1 1 1 -35 5  14 o 42.30367 13.59594 0.7044548      33.58963 0.9244760     50.79911 0.5335232      44.77496 43.29532 19.73214 41.31201 18.70939 1.983307       27.19188 
1 1 1 -35 5  15 o 45.51093 13.68904 5.737508       34.06043 -61.35299     52.84992 53.39977       44.54523 35.30801 17.20484 55.71384 21.29679 -20.40583      27.37809 
1 1 1 -35 5  16 o 65.96001 16.23517 82.19267       35.08537 88.96616      53.55591 77.09995       46.43822 67.53188 23.74835 64.38812 22.14359 3.143761       32.47034 
1 1 1 -35 5  17 o 88.41203 15.26684 139.5840       35.79360 154.2094      54.50444 128.4935       47.46259 91.83754 22.27049 84.98653 20.88853 6.851013       30.53368 
1 1 1 -35 5  18 o 58.79228 15.98570 60.86844       35.57351 67.61355      52.24794 55.03947       48.57021 60.77914 23.10489 56.80542 22.09829 3.973713       31.97140 
1 1 1 -35 5  19 o 52.53850 15.43248 39.68668       35.92656 47.23018      52.44545 33.01696       49.31462 54.62823 22.37462 50.44877 21.26082 4.179459       30.86497 
1 1 1 -35 5  20 o 55.48635 15.23562 38.80669       36.70900 98.36743      53.82501 -12.98869      50.19374 70.13438 23.84521 40.83833 18.97110 29.29605       30.47124 
1 1 1 -35 5  21 o 41.55345 13.60258 -20.42262      37.13815 24.86402      54.14397 -60.65975      51.03623 48.70805 21.40311 34.39886 16.79368 14.30919       27.20516 
1 1 1 -35 5  22 o 47.75946 14.67778 17.90312       37.00082 -20.51416     51.09256 60.27143       53.65559 39.15974 18.49101 56.35917 22.79981 -17.19943      29.35556 
1 1 1 -35 5  23 o 54.18362 15.56297 46.03178       37.99281 1.951118      50.81030 101.9328       57.21867 41.89863 19.33089 66.46860 24.39550 -24.56997      31.12593 
1 1 1 -35 5  24 o 34.01446 11.73280 -60.03554      36.42975 -9.699812     48.92579 -122.6659      54.57479 38.73150 18.22939 29.29741 14.77577 9.434090       23.46559 
1 1 1 -35 5  25 o 68.64991 23.20420 108.7442       50.96714 108.7442      50.96714 0.000000       0.000000 68.64991 23.20420 ?        ?        ?              ?        
1 1 1 -35 7  11 o 52.78574 15.01420 54.27286       34.36156 24.20612      48.20214 85.33910       48.99678 44.44329 19.82568 61.12819 22.55321 -16.68490      30.02840 
1 1 1 -35 7  12 o 47.83850 13.90716 25.64399       33.01044 80.81049      46.88736 -28.57482      46.48288 60.52535 22.10330 35.15165 16.88431 25.37370       27.81431 
1 1 1 -35 7  13 o 46.62035 14.00517 26.32336       33.39028 -14.96797     49.22268 61.52024       45.44519 38.28799 18.10083 54.95271 21.37612 -16.66473      28.01033 
1 1 1 -35 7  14 f 48.63296 14.72777 35.25245       34.71817 23.36145      52.77417 44.32523       46.09803 46.56448 20.76027 50.70144 20.89595 -4.136951      29.45555 
1 1 1 -35 7  15 o 95.42598 14.70830 162.8979       36.38369 212.1929      57.71976 130.3970       46.86744 107.6510 20.66375 83.20098 20.93671 24.44999       29.41660 
1 1 1 -35 7  16 o 59.35207 16.01095 69.66632       35.63616 64.49966      54.70259 73.47565       46.97070 57.64349 23.12563 61.06065 22.14967 -3.417164      32.02191 
1 1 1 -35 7  17 o 50.49419 14.97211 37.05692       35.26219 16.01215      52.44184 54.42407       47.63983 46.05519 20.60214 54.93319 21.73036 -8.877998      29.94422 
1 1 1 -35 7  18 o 61.66794 16.20377 75.39195       35.91090 89.45412      53.09995 63.53945       48.74982 65.63223 23.58623 57.70366 22.22471 7.928570       32.40753 
1 1 1 -35 7  19 f 47.08752 14.46603 16.36303       36.36596 -24.38710     51.47747 56.96078       51.38114 38.72998 18.36879 55.44505 22.35290 -16.71506      28.93207 
1 1 1 -35 7  20 o 52.23065 15.70527 44.92659       38.73652 56.29577      55.68833 34.26878       53.91799 54.89759 22.82515 49.56371 21.57858 5.333874       31.41055 
1 1 1 -35 7  21 o 47.48485 21.01118 28.91747       53.04785 0.000000      0.000000 28.91747       53.04785 ?        ?        47.48485 21.01118 ?              ?        
1 1 1 -35 7  22 o 52.21272 15.21781 52.44911       36.40033 74.28677      48.15327 23.33266       55.60217 58.46199 22.19137 45.96345 20.82955 12.49854       30.43562 
1 1 1 -35 7  23 o 80.47410 16.30326 143.9088       37.57822 152.7693      49.58941 131.9582       57.59097 87.05573 21.32368 73.89246 24.66752 13.16327       32.60653 
1 1 1 -35 7  24 o 62.08138 16.43065 88.80161       37.14030 68.04180      49.33375 115.9599       56.42654 55.51898 22.06537 68.64377 24.35128 -13.12479      32.86130 
1 1 1 -35 9  13 f 49.48600 14.28052 36.76084       34.60030 -19.15398     51.07505 84.18631       47.03825 37.71002 18.00089 61.26197 22.17433 -23.55195      28.56104 
1 1 1 -35 9  14 o 36.11113 12.24944 -27.93593      34.82839 -52.34172     52.71607 -9.030914      46.39648 34.31451 16.81907 37.90775 17.81332 -3.593235      24.49889 
1 1 1 -35 9  15 o 42.01409 13.61938 9.608487       35.01494 -0.8627161    52.90286 17.77180       46.71047 41.02632 19.19620 43.00187 19.32500 -1.975552      27.23876 
1 1 1 -35 9  16 o 47.03002 14.66457 27.83665       36.48372 59.75619      55.18172 3.047940       48.62884 53.33285 22.48388 40.72719 18.83278 12.60566       29.32914 
1 1 1 -35 9  17 o 63.46584 15.51010 82.04307       35.52885 138.8691      53.10443 35.99590       47.80338 79.52250 23.29973 47.40919 20.47865 32.11331       31.02020 
1 1 1 -35 9  18 o 36.35975 12.33824 -30.34089      35.56226 -59.17565     53.66771 -7.768635      47.48346 34.09028 16.76163 38.62922 18.11013 -4.538937      24.67649 
1 1 1 -35 9  19 o 49.56675 14.52451 34.65701       35.12407 -13.40229     49.27236 84.31153       50.08343 38.21494 18.07970 60.91855 22.73696 -22.70361      29.04901 
1 1 1 -35 9  20 o 68.55965 15.17301 104.0839       35.61399 146.9043      48.21621 52.67425       52.83114 85.68280 21.05010 51.43650 21.85805 34.24630       30.34602 
1 1 1 -35 9  21 o 49.35796 15.06999 43.53280       37.25994 60.14190      51.37743 25.10574       54.11621 53.19081 22.00372 45.52512 20.59743 7.665695       30.13997 
1 1 1 -34 0  6  o 30.26207 14.91954 -23.72427      43.89072 -37.94458     61.14226 -8.606048      63.04308 28.35579 20.00804 32.16835 22.13705 -0.000000      0.000000 
1 1 1 -34 0  7  o 50.55904 20.51898 76.57694       44.89684 60.08393      61.84981 94.94789       65.27609 45.60016 27.53249 55.51791 30.43150 -0.000000      0.000000 
1 1 1 -34 0  8  o 28.42526 14.12086 -41.28673      41.70034 -51.96344     61.44070 -32.16809      56.78092 27.97830 19.80259 28.87222 20.13585 -0.000000      0.000000 
1 1 1 -34 0  9  o 113.3861 15.69631 213.0436       42.54545 224.0560      63.14849 203.8896       57.57387 115.6937 22.78875 111.0784 21.59096 -0.000000      0.000000 
1 1 1 -34 0  10 o 40.02282 17.84938 13.40506       43.25695 -29.03229     59.83292 59.87425       62.61071 30.83362 21.30586 49.21201 28.64371 -0.000000      0.000000 
1 1 1 -34 0  11 o 56.09933 20.73893 76.61903       44.27307 103.4559      60.05682 44.67487       65.52280 66.27650 30.58117 45.92216 28.02151 -0.000000      0.000000 
1 1 1 -34 0  12 o 32.71617 15.81749 -23.87273      42.46469 -37.03283     55.16237 -4.729250      66.53094 28.82576 20.04493 36.60658 24.47392 -0.000000      0.000000 
1 1 1 -34 0  13 o 26.43072 13.41673 -86.85851      44.46402 -89.29985     58.71056 -83.57482      68.09009 24.79933 17.84827 28.06211 20.03682 -0.000000      0.000000 
1 1 1 -34 0  14 o 31.26501 15.41330 -46.46387      46.24450 -60.82075     62.39454 -28.96458      68.88534 28.52950 20.14632 34.00052 23.33248 -0.000000      0.000000 
1 1 1 -34 0  15 o 62.04373 21.33332 82.84669       49.12608 142.9523      70.18233 25.10533       68.78819 81.24288 32.83588 42.84459 27.24421 -0.000000      0.000000 
1 1 1 -34 0  16 f 73.63087 23.65307 123.3192       50.92804 152.1432      77.68189 101.5919       67.44446 82.16419 34.73203 65.09756 32.11787 -0.000000      0.000000 
1 1 1 -34 0  17 o 62.70499 21.28016 87.08312       48.18917 138.9461      67.53078 33.27404       68.78613 80.75800 32.13620 44.65197 27.90422 -0.000000      0.000000 
1 1 1 -34 0  18 o 58.24006 18.80281 60.06580       47.16342 140.1396      61.80159 -51.60180      72.98237 83.93861 29.96233 32.54150 22.72534 -0.000000      0.000000 
1 1 1 -34 0  19 o 53.50766 21.47873 65.51384       47.88183 48.85921      63.48445 87.48867       72.92268 47.69602 28.33746 59.31930 32.28517 -0.000000      0.000000 
1 1 1 -34 0  20 o 70.53136 23.05884 116.1124       48.12726 110.0479      64.99311 123.4750       71.61170 68.76474 31.80899 72.29797 33.39204 -0.000000      0.000000 
1 1 1 -34 0  21 o 33.38071 16.14938 -28.02256      46.49824 -4.368334     63.93530 -54.58131      67.74700 36.13623 24.10661 30.62518 21.49607 -0.000000      0.000000 
1 1 1 -34 0  22 o 30.49974 15.30277 -74.39380      52.39423 -84.55767     71.18327 -62.37719      77.39971 28.71129 20.49809 32.28820 22.72724 -0.000000      0.000000 
1 1 1 -34 0  23 o 85.32326 19.35471 137.6401       54.28637 27.32319      72.18441 281.2645       82.36381 42.84934 27.50604 127.7972 27.23669 -0.000000      0.000000 
1 1 1 -34 0  24 o 43.00995 19.83805 18.68721       58.66477 55.91155      77.77920 -30.43366      89.34762 48.62846 30.06991 37.39143 25.88424 -0.000000      0.000000 
1 1 1 -34 0  25 o 66.91545 24.03531 117.8235       52.16808 95.74625      64.58739 159.2597       88.48411 59.47958 30.96344 74.35133 36.77024 -0.000000      0.000000 
1 1 1 -34 0  26 o 32.03555 15.81512 -38.24489      51.59649 0.3798564     61.76134 -127.4836      93.87730 34.34542 23.14848 29.72568 21.55505 -0.000000      0.000000 
1 1 1 -34 0  27 o 37.08753 17.81551 11.90780       52.33253 18.76788      63.87508 -2.098923      91.27146 36.61105 24.31918 37.56401 26.04125 -0.000000      0.000000 
1 1 1 -34 0  28 o 36.23164 17.33940 7.286670       52.33070 38.10697      64.99046 -49.53946      88.24807 39.87184 25.78491 32.59144 23.18959 -0.000000      0.000000 
1 1 1 -34 2  6  o 48.07040 14.07144 38.51590       30.65817 16.39257      42.52685 62.45556       44.23816 41.67057 18.60297 54.47022 21.11754 -12.79965      28.14287 
1 1 1 -34 2  7  o 44.80936 13.41262 19.06475       30.63817 59.13032      43.20089 -21.47930      43.45809 54.27845 20.91712 35.34027 16.79487 18.93818       26.82524 
1 1 1 -34 2  8  o 62.43007 13.25094 65.30918       29.46015 123.2510      41.83895 8.332220       41.48915 83.46091 19.03845 41.39924 18.43601 42.06167       26.50187 
1 1 1 -34 2  9  o 59.77480 14.56850 63.64119       28.46711 60.38407      40.42291 66.84587       40.09622 58.45539 20.62425 61.09420 20.58166 -2.638809      29.13700 
1 1 1 -34 2  10 o 45.48384 13.70700 18.03429       29.53033 18.50981      41.25853 17.53481       42.28476 45.45618 19.31647 45.51151 19.45255 -0.5533600E-01 27.41401 
1 1 1 -34 2  11 o 58.60231 14.34113 53.74918       28.79910 30.29594      39.75595 79.64534       41.77520 49.10797 19.70999 68.09665 20.83719 -18.98868      28.68226 
1 1 1 -34 2  12 o 100.2642 12.25074 158.9773       31.51360 120.4911      45.05062 195.8540       44.09854 85.42934 19.94651 115.0990 14.22883 -29.66965      24.50149 
1 1 1 -34 2  13 o 130.6319 9.613778 248.5903       33.77203 263.7981      49.25831 235.1008       46.39217 134.3790 13.61335 126.8848 13.57850 7.494186       19.22756 
1 1 1 -34 2  14 o 92.89616 13.72760 139.0000       33.77873 115.6122      48.92426 160.3043       46.69439 82.93298 21.66920 102.8594 16.85922 -19.92637      27.45520 
1 1 1 -34 2  15 f 57.21952 15.55775 46.94325       33.85799 39.74131      50.57167 52.79391       45.58112 55.55234 22.25346 58.88669 21.74758 -3.334351      31.11549 
1 1 1 -34 2  16 o 54.41713 15.20174 37.82249       33.38808 24.13399      48.97882 49.70532       45.63417 50.92865 21.30977 57.90560 21.68559 -6.976948      30.40347 
1 1 1 -34 2  17 o 123.5330 10.55630 224.5942       35.09236 216.4285      48.62906 233.4673       50.69135 121.2142 14.89907 125.8519 14.95859 -4.637703      21.11260 
1 1 1 -34 2  18 o 114.0212 12.42794 203.2852       35.63037 141.8175      50.39790 264.7093       50.38000 93.25140 20.61889 134.7910 13.88078 -41.53963      24.85588 
1 1 1 -34 2  19 o 49.40409 14.61624 18.20893       33.60503 40.70681      47.24200 -4.835599      47.81251 55.13906 21.69408 43.66913 19.59349 11.46993       29.23248 
1 1 1 -34 2  20 o 34.07041 11.74034 -70.45155      34.76921 -65.11370     50.02492 -75.43991      48.35955 35.04798 17.00033 33.09284 16.19664 1.955135       23.48068 
1 1 1 -34 2  21 o 91.85545 14.98690 140.5218       36.43509 163.2415      52.95834 120.1025       50.20578 99.78540 20.39839 83.92551 21.96212 15.85989       29.97380 
1 1 1 -34 2  22 o 76.37891 16.68963 104.3351       37.97808 116.3974      54.17351 92.67759       53.25646 80.72731 23.49895 72.03050 23.70599 8.696808       33.37925 
1 1 1 -34 2  23 o 52.04563 15.45807 19.60611       39.20752 66.65988      56.69440 -23.52531      54.27999 62.29423 23.97446 41.79704 19.52007 20.49719       30.91615 
1 1 1 -34 2  24 o 55.77708 15.82586 42.45742       38.12231 8.156713      52.67678 80.17844       55.24073 46.24483 20.67037 65.30933 23.97012 -19.06451      31.65171 
1 1 1 -34 2  25 o 40.16562 13.35247 -21.83888      37.11244 -8.037253     48.72021 -40.91843      57.28331 41.13337 18.96077 39.19786 18.80539 1.935501       26.70494 
1 1 1 -34 2  26 o 63.98800 16.46388 86.30941       36.74115 87.30249      50.14911 85.15874       53.98203 64.74233 22.95793 63.23367 23.60448 1.508663       32.92777 
1 1 1 -34 2  27 o 42.55733 13.85102 8.813074       36.67500 18.05452      51.89686 -0.4066193     51.83575 44.16076 20.05593 40.95389 19.10924 3.206867       27.70205 
1 1 1 -34 4  7  o 56.22962 14.76064 63.21807       30.20670 88.23598      45.53909 43.56236       40.36485 63.62793 21.92554 48.83131 19.76806 14.79663       29.52127 
1 1 1 -34 4  8  o 36.62584 12.03246 -16.43745      29.11917 11.44860      42.24886 -41.67150      40.18971 41.70428 18.58557 31.54740 15.28715 10.15689       24.06491 
1 1 1 -34 4  9  o 57.25671 14.21502 55.88161       28.93931 27.88428      40.42515 85.31183       41.44671 46.67281 19.42983 67.84062 20.75448 -21.16781      28.43003 
1 1 1 -34 4  10 o 50.21785 14.12655 36.13974       28.86995 44.68933      40.21125 27.04450       41.47460 52.95157 20.23585 47.48413 19.71668 5.467445       28.25309 
1 1 1 -34 4  11 o 80.79767 14.27266 110.9492       30.96399 97.61189      41.95315 126.9075       45.89066 75.25587 20.25588 86.33946 20.11305 -11.08359      28.54532 
1 1 1 -34 4  12 o 53.46290 14.90007 36.19266       32.74727 63.25491      47.50264 11.68400       45.20594 61.35455 22.27192 45.57125 19.79925 15.78329       29.80014 
1 1 1 -34 4  13 o 115.4372 11.44014 209.1426       33.10403 155.9078      48.61681 255.1614       45.20183 98.28564 19.05802 132.5887 12.66094 -34.30311      22.88029 
1 1 1 -34 4  14 o 120.7369 11.13658 212.2891       35.36193 286.5993      54.89989 159.5980       46.22915 139.1018 14.65735 102.3721 16.77069 36.72972       22.27317 
1 1 1 -34 4  15 o 35.03933 17.11899 -77.82551      53.31560 -77.82551     53.31560 0.000000       0.000000 35.03933 17.11899 ?        ?        ?              ?        
1 1 1 -34 4  16 o 125.7860 10.83666 228.7198       36.00911 300.5316      55.80608 177.4919       47.13433 142.8594 14.50739 108.7125 16.10181 34.14696       21.67331 
1 1 1 -34 4  17 o 63.19498 15.37609 62.13593       34.86583 20.65239      51.35129 97.61572       47.49020 50.51582 21.51018 75.87414 21.97747 -25.35832      30.75218 
1 1 1 -34 4  18 o 59.86576 15.92059 54.57115       34.98100 64.61266      50.48691 45.29936       48.51331 63.11996 22.95350 56.61156 22.06802 6.508392       31.84118 
1 1 1 -34 4  19 o 67.29434 16.28552 74.05745       35.97416 101.1898      54.19567 52.68655       48.09861 75.80641 23.82317 58.78228 22.21101 17.02413       32.57104 
1 1 1 -34 4  20 o 59.10477 15.98962 52.59482       35.86839 66.58956      51.30167 39.21152       50.16844 63.43019 23.12703 54.77937 22.08648 8.650822       31.97925 
1 1 1 -34 4  21 o 56.72582 15.69515 43.02481       36.34582 73.08643      51.99800 14.30574       50.82362 65.19529 23.34961 48.25635 20.97968 16.93894       31.39030 
1 1 1 -34 4  22 o 63.09328 15.56732 58.82272       36.22870 11.79063      49.05169 115.2723       53.73873 46.68590 20.44654 79.50066 23.47989 -32.81477      31.13465 
1 1 1 -34 4  23 o 53.90926 15.10080 37.33406       36.45844 74.10201      47.76743 -13.97524      56.42808 64.17732 22.43612 43.64120 20.21775 20.53613       30.20161 
1 1 1 -34 4  24 o 38.88637 13.05171 -37.24876      34.49232 -60.17037     42.88856 4.724360       58.03695 31.28351 15.29878 46.48923 21.15031 -15.20572      26.10342 
1 1 1 -34 4  25 o 64.54285 15.87585 83.81307       34.97881 98.65541      45.95324 63.36701       53.93490 71.35886 21.85752 57.72684 23.03084 13.63201       31.75171 
1 1 1 -34 4  26 o 62.47630 15.50740 83.74422       36.84802 121.5229      48.80594 33.66337       56.19340 76.44886 22.31907 48.50373 21.53550 27.94513       31.01481 
1 1 1 -34 4  27 o 65.65935 16.77546 104.2308       39.34144 125.2726      54.24342 80.87827       57.14423 73.15662 23.91730 58.16208 23.52928 14.99453       33.55093 
1 1 1 -34 6  7  o 40.55975 12.94782 11.02342       29.96036 18.06846      44.13149 5.000575       40.80450 42.35835 18.92740 38.76115 17.67307 3.597202       25.89563 
1 1 1 -34 6  8  o 36.14249 11.95478 -12.96968      29.33095 5.693998      41.61836 -31.38760      41.34345 39.37752 17.91315 32.90747 15.83624 6.470051       23.90956 
1 1 1 -34 6  9  o 48.95981 14.07401 38.50542       29.20712 29.04021      40.40288 48.86597       42.27061 45.83358 19.27615 52.08604 20.51197 -6.252457      28.14802 
1 1 1 -34 6  10 o 36.09406 11.96701 -20.03080      29.35382 -16.09185     41.51655 -23.96824      41.50859 36.77704 17.14066 35.41108 16.70434 1.365959       23.93402 
1 1 1 -34 6  11 o 108.8275 11.07725 185.2366       32.36837 185.5098      44.28846 184.9234       47.42380 109.5278 15.01698 108.1271 16.28839 1.400719       22.15449 
1 1 1 -34 6  12 o 58.01133 14.55413 52.58633       31.76732 12.47752      45.98569 89.19919       43.93592 45.32704 19.82569 70.69561 21.31274 -25.36857      29.10826 
1 1 1 -34 6  13 o 37.72329 12.49328 -26.48906      31.41334 -12.87045     47.87749 -36.78340      41.62596 41.10606 18.89185 34.34052 16.35317 6.765533       24.98656 
1 1 1 -34 6  14 f 110.6152 13.79346 181.2407       41.08388 0.000000      0.000000 181.2407       41.08388 ?        ?        110.6152 13.79346 ?              ?        
1 1 1 -34 6  15 o 59.39574 15.54609 55.27971       32.28280 67.20972      52.02331 47.80893       41.16808 63.09691 23.24594 55.69456 20.64824 7.402351       31.09218 
1 1 1 -34 6  16 o 65.73439 15.56851 73.50164       35.41532 33.16856      53.95330 104.0365       46.94458 53.65610 22.40104 77.81268 21.62655 -24.15657      31.13703 
1 1 1 -34 6  17 o 69.91714 14.58138 84.80733       34.31496 23.28074      53.26291 128.4663       44.86732 51.11018 21.83852 88.72409 19.32732 -37.61391      29.16276 
1 1 1 -34 6  18 o 61.39711 15.95995 61.69558       35.65771 41.06172      53.79622 77.86470       47.62169 55.63659 22.70965 67.15764 22.43105 -11.52105      31.91990 
1 1 1 -34 6  19 o 46.30774 14.50665 4.726251       35.98318 18.40290      52.27968 -7.585110      49.60165 49.47460 21.39334 43.14087 19.59839 6.333729       29.01331 
1 1 1 -34 6  20 o 46.83175 14.64094 2.178270       37.65928 -29.49525     53.32411 33.69583       53.19267 40.62738 19.09312 53.03611 22.20093 -12.40873      29.28188 
1 1 1 -34 6  21 o 53.50273 14.86535 22.09164       36.27292 -36.39594     49.83589 87.98269       52.89610 37.98571 18.03254 69.01975 23.63771 -31.03405      29.73069 
1 1 1 -34 6  22 o 63.02990 16.32233 70.75642       36.05214 57.40200      47.79179 88.39079       54.91878 58.05993 22.09129 67.99986 24.03433 -9.939934      32.64467 
1 1 1 -34 6  23 o 42.59344 13.74616 -2.601523      35.07772 6.904535      46.00528 -15.80262      54.21412 43.34802 19.35055 41.83885 19.52906 1.509167       27.49232 
1 1 1 -34 6  24 o 60.60874 15.93063 70.61943       34.01458 64.86119      43.25029 79.95560       55.07165 58.72906 21.26195 62.48842 23.72909 -3.759357      31.86127 
1 1 1 -34 6  25 o 35.42664 12.15991 -45.04671      34.77975 -64.25334     44.82235 -15.98420      55.13606 30.69123 15.13419 40.16205 19.03706 -9.470816      24.31982 
1 1 1 -34 6  26 o 44.99609 14.18374 20.67609       36.92918 49.14076      48.28161 -19.45327      57.32708 50.51345 21.14865 39.47872 18.90632 11.03474       28.36748 
1 1 1 -34 8  9  o 36.52013 12.12334 -10.99785      30.24502 -10.50964     43.65844 -11.44836      41.93918 36.88580 17.31597 36.15446 16.97230 0.7313461      24.24669 
1 1 1 -34 8  10 f 55.73566 14.78537 62.07059       30.14979 69.30994      42.77516 54.92319       42.50264 58.25357 21.13640 53.21774 20.68046 5.035828       29.57075 
1 1 1 -34 8  11 o 48.73209 14.30427 33.25651       31.67910 13.22255      44.73083 53.41671       44.87152 43.27619 19.21423 54.18799 21.19580 -10.91180      28.60854 
1 1 1 -34 8  12 o 96.96667 12.98550 160.4931       32.72295 116.2735      45.90598 206.1727       46.65765 79.36201 21.11305 114.5713 15.12389 -35.20934      25.97100 
1 1 1 -34 8  13 o 44.65633 13.94899 9.810428       33.83379 -17.30346     53.63094 27.73536       43.60620 41.46960 19.37920 47.84306 20.06848 -6.373451      27.89798 
1 1 1 -34 8  14 o 112.0188 11.55423 194.5466       34.13752 213.5826      54.78998 182.4676       43.64448 115.0297 17.68918 109.0078 14.86922 6.021873       23.10846 
1 1 1 -34 8  15 o 42.25409 13.73838 -19.57917      34.39674 24.62889      57.50675 -44.20574      42.92102 50.89821 22.21891 33.60996 16.16455 17.28825       27.47676 
1 1 1 -34 8  16 o 54.44973 15.44638 44.63781       34.31990 37.74003      55.25535 48.97023       43.79103 53.62106 22.54642 55.27839 21.11922 -1.657333      30.89276 
1 1 1 -34 8  17 o 37.33667 12.52379 -36.51405      33.03347 -13.73809     51.58118 -52.35019      43.01080 42.04150 19.42489 32.63184 15.81312 9.409660       25.04757 
1 1 1 -34 8  18 o 36.85825 12.14788 -58.25005      34.20547 -163.9167     52.88484 17.74705       44.84983 27.44729 13.92203 46.26920 19.91134 -18.82191      24.29576 
1 1 1 -34 8  19 f 38.59772 12.86816 -35.88171      34.98107 -0.7703200    51.77094 -65.37935      47.45213 44.21270 20.06105 32.98273 16.12180 11.22996       25.73632 
1 1 1 -34 8  20 o 44.52881 14.08873 5.044383       34.92573 -8.149849     48.96586 18.70862       49.83037 41.66720 19.13334 47.39042 20.68537 -5.723217      28.17746 
1 1 1 -34 8  21 o 58.69872 15.61716 62.50638       34.90603 79.09449      45.60139 39.03349       54.24539 64.89027 21.94872 52.50718 22.22244 12.38310       31.23433 
1 1 1 -34 8  22 o 63.38684 15.70090 80.39040       34.48722 93.14194      42.62087 56.20834       58.69321 70.54543 20.92930 56.22825 23.41019 14.31718       31.40179 
1 1 1 -34 8  23 o 58.68391 15.43907 69.57211       34.92775 88.70074      44.15213 37.58148       57.09798 66.80170 21.55980 50.56611 22.10508 16.23560       30.87814 
1 1 1 -34 8  24 o 41.73599 13.58550 5.862492       34.43888 0.9812425     44.29500 13.32288       54.76082 39.38693 18.12747 44.08505 20.24002 -4.698124      27.17101 
1 1 1 -34 8  25 o 43.36311 14.07208 12.93553       36.08746 3.144080      45.59152 29.36186       59.05147 39.77214 18.33629 46.95409 21.35121 -7.181946      28.14416 
1 1 1 -34 10 10 o 37.32072 12.51195 -15.89300      33.80996 -28.03254     47.57124 -3.501948      48.06153 35.43111 17.03471 39.21034 18.33069 -3.779236      25.02390 
1 1 1 -34 10 11 o 75.57315 15.31540 118.0946       34.39531 167.1111      51.64198 79.01515       46.11117 91.19025 21.39950 59.95606 21.91591 31.23419       30.63079 
1 1 1 -34 10 12 o 47.87553 14.48973 23.58844       35.34256 78.57700      53.34192 -19.44078      47.18611 58.88939 23.08920 36.86168 17.51280 22.02771       28.97946 
1 1 1 -34 10 13 o 61.42263 15.86939 80.88242       34.95386 66.67301      55.71335 90.10600       44.88704 56.57569 23.10390 66.26957 21.76145 -9.693882      31.73879 
1 1 1 -34 10 14 o 49.85625 14.71390 37.96254       34.14167 12.64464      54.39219 54.42337       43.85797 45.36634 20.57610 54.34616 21.03853 -8.979820      29.42780 
1 1 1 -34 10 15 o 42.25851 13.33362 2.867534       33.18740 -46.53089     54.59081 31.82696       41.79824 36.98736 17.89735 47.52966 19.76932 -10.54230      26.66723 
1 1 1 -34 10 16 o 43.30060 13.71866 4.918504       32.68430 30.35294      50.96960 -12.84432      42.59476 48.98597 21.15289 37.61522 17.47460 11.37075       27.43732 
1 1 1 -34 10 17 o 65.40453 15.92236 84.62520       33.82059 84.39182      52.48539 84.79091       44.22699 64.42760 23.40730 66.38147 21.59131 -1.953873      31.84472 
1 1 1 -34 10 18 o 53.07228 15.04937 48.18245       32.74735 47.43473      46.78358 48.90075       45.85389 52.88253 21.32603 53.26203 21.23993 -0.3794975     30.09875 
1 1 1 -34 10 19 o 44.30207 13.90254 14.40578       32.62464 7.680790      42.72165 23.81444       50.53197 41.54936 18.59017 47.05478 20.67676 -5.505424      27.80509 
1 1 1 -34 10 20 o 41.34507 13.33432 2.531703       33.03308 12.40673      43.27448 -11.25657      51.13493 42.42325 18.86417 40.26688 18.85099 2.156364       26.66864 
1 1 1 -34 10 21 o 57.27202 14.97952 49.09327       34.01699 0.7017718E-01 43.57421 125.5910       54.43187 39.34293 18.05985 75.20111 23.90369 -35.85818      29.95905 
1 1 1 -34 10 22 o 43.27448 13.89124 15.23933       35.17287 25.95426      43.49427 -5.010228      59.79227 44.41523 19.35781 42.13372 19.92840 2.281506       27.78248 
1 1 1 -34 10 23 o 63.19595 14.82241 89.76999       34.49679 122.7178      43.91164 36.65606       55.75325 78.41625 20.54853 47.97565 21.36756 30.44060       29.64481 
1 1 1 -34 12 14 o 41.98975 13.66116 9.009388       35.33631 18.47088      52.63969 1.248587       47.67458 44.04834 20.07963 39.93116 18.52883 4.117176       27.32232 
1 1 1 -34 12 15 o 82.45245 15.87178 144.3587       36.06087 147.8580      54.10443 141.5618       48.37136 81.67761 23.40020 83.22729 21.44958 -1.549675      31.74356 
1 1 1 -34 12 16 o 46.93933 14.39728 34.96384       33.87486 26.78304      49.63320 42.09750       46.34794 45.31598 20.17350 48.56269 20.54645 -3.246708      28.79456 
1 1 1 -34 12 17 o 50.38680 14.48547 41.71672       33.07003 5.035825      45.63797 82.26998       47.98652 40.20174 18.46459 60.57186 22.32431 -20.37012      28.97095 
1 1 1 -34 12 18 o 99.56680 13.00025 175.8243       33.78450 143.3167      44.22275 221.3921       52.35789 87.04321 19.36747 112.0904 17.34724 -25.04716      26.00049 
1 1 1 -34 12 19 o 57.40409 15.52031 73.34570       33.84126 79.17430      43.77944 64.69257       53.34263 60.52450 21.45171 54.28367 22.43534 6.240829       31.04062 
1 1 1 -34 12 20 o 62.10172 15.59816 88.67787       34.60617 104.4460      44.46617 64.45729       55.11026 70.18744 21.50132 54.01601 22.60317 16.17143       31.19632 
1 1 1 -33 1  4  o 62.21951 14.70516 79.54359       31.32800 44.70057      43.59002 116.7684       45.05526 49.17270 20.29858 75.26631 21.28226 -26.09361      29.41032 
1 1 1 -33 1  5  o 39.23815 12.69697 -2.266900      30.21228 -11.95843     42.03801 8.086719       43.45022 37.03499 17.25656 41.44131 18.62965 -4.406315      25.39395 
1 1 1 -33 1  6  o 53.14947 13.81736 38.29350       29.67027 82.32114      42.26630 -4.481015      41.66046 66.92119 21.03972 39.37774 17.91671 27.54345       27.63473 
1 1 1 -33 1  7  o 64.41243 14.84062 72.69594       29.72969 79.52554      40.84090 64.99772       43.36040 67.55185 20.58957 61.27301 21.37861 6.278843       29.68123 
1 1 1 -33 1  8  o 48.74858 13.89980 28.02442       28.13515 32.40206      40.17019 23.80905       39.41867 50.22254 19.92651 47.27462 19.38432 2.947918       27.79960 
1 1 1 -33 1  9  o 112.0065 11.01282 189.8763       31.68572 148.6167      44.53608 232.1683       45.08981 97.56706 17.59969 126.4460 13.24311 -28.87891      22.02565 
1 1 1 -33 1  10 o 46.73444 13.93743 14.64017       30.31733 2.213182      42.58376 27.41326       43.17266 43.22640 18.98811 50.24247 20.40733 -7.016068      27.87485 
1 1 1 -33 1  11 o 61.06408 14.46430 51.59010       31.80100 93.14036      44.11568 6.643730       45.88318 75.99072 20.90512 46.13743 19.99600 29.85329       28.92860 
1 1 1 -33 1  12 o 82.91484 14.46977 108.1252       32.88534 76.52430      45.89624 141.4657       47.14259 69.70782 21.92601 96.12185 18.88774 -26.41402      28.93953 
1 1 1 -33 1  13 o 121.8733 10.78151 213.7277       35.37397 219.6302      50.49212 208.0380       49.57323 123.5622 15.17591 120.1844 15.31848 3.377731       21.56302 
1 1 1 -33 1  14 o 77.59672 15.93256 96.83373       35.34553 89.48460      50.52729 103.8762       49.46199 74.68092 22.92694 80.51251 22.13010 -5.831589      31.86512 
1 1 1 -33 1  15 o 77.32195 16.28052 96.74924       36.40242 99.54383      52.52766 94.16683       50.49412 78.26820 23.23798 76.37570 22.80829 1.892502       32.56105 
1 1 1 -33 1  16 o 39.36679 13.15299 -47.39568      36.61808 -29.02284     53.76101 -63.29631      50.01340 42.73019 19.77399 36.00339 17.34918 6.726803       26.30598 
1 1 1 -33 1  17 o 66.12607 16.07224 67.01880       34.57095 61.18994      47.36890 73.66189       50.56929 63.73374 22.33888 68.51840 23.11369 -4.784664      32.14449 
1 1 1 -33 1  18 o 113.4344 14.95738 185.3273       45.68606 185.3273      45.68606 0.000000       0.000000 113.4344 14.95738 ?        ?        ?              ?        
1 1 1 -33 1  19 f 38.48671 12.55960 -24.31816      30.19932 -19.88895     40.13053 -30.10148      45.85651 37.98364 17.39738 38.98978 18.11921 -1.006138      25.11921 
1 1 1 -33 1  20 o 60.50603 14.51257 54.17683       28.17673 53.28154      39.03987 55.15028       40.70831 60.03117 20.30832 60.98089 20.73720 -0.9497147     29.02515 
1 1 1 -33 1  21 o 32.08498 10.94456 -66.73755      28.93633 -24.00436     41.41077 -107.5117      40.45043 37.75446 17.43031 26.41550 13.24078 11.33896       21.88913 
1 1 1 -33 1  22 o 59.94267 14.33541 45.13604       31.97427 96.99241      45.83475 -4.022070      44.62636 76.94657 21.36353 42.93877 19.12107 34.00780       28.67082 
1 1 1 -33 1  23 o 82.81300 15.19738 117.3734       35.66167 78.49751      52.48193 150.7207       48.60712 68.30647 23.53765 97.31952 19.23073 -29.01305      30.39476 
1 1 1 -33 1  24 o 64.86175 16.29036 69.09481       36.10220 53.08486      49.75032 86.90348       52.47067 59.04014 22.52139 70.68336 23.54338 -11.64322      32.58072 
1 1 1 -33 1  25 o 46.67783 14.61977 6.790695       36.57364 15.62679      50.40269 -3.035897      53.15268 48.18156 20.91980 45.17410 20.42823 3.007458       29.23954 
1 1 1 -33 1  26 f 80.69054 14.66780 118.0128       34.41775 162.6192      47.63597 69.29477       49.78308 99.25078 18.50529 62.13031 22.76251 37.12047       29.33561 
1 1 1 -33 1  27 o 53.92875 14.76009 41.28817       34.88140 86.02149      47.62201 -10.49117      51.23544 66.51636 22.43006 41.34113 19.19203 25.17522       29.52019 
1 1 1 -33 1  28 o 58.42174 15.23947 68.08498       35.95156 108.7741      48.61609 18.98058       53.40736 71.55605 22.57424 45.28743 20.47851 26.26862       30.47894 
1 1 1 -33 1  29 o 39.44636 13.10293 -9.738545      35.39725 17.82496      52.66415 -32.45149      47.80624 43.94120 20.05152 34.95152 16.87257 8.989677       26.20586 
1 1 1 -33 3  4  o 48.80152 13.23607 25.03981       30.08537 91.17628      43.32298 -36.56247      41.81154 65.35905 21.37491 32.24399 15.61689 33.11506       26.47214 
1 1 1 -33 3  5  o 45.34003 13.48205 25.27705       29.30649 50.68319      41.29821 -0.4951238     41.59465 52.05053 20.34134 38.62952 17.70008 13.42101       26.96411 
1 1 1 -33 3  6  o 37.94373 12.37768 -11.30879      29.31663 -0.9202769    43.57348 -19.90068      39.62690 40.54044 18.39849 35.34701 16.56269 5.193432       24.75535 
1 1 1 -33 3  7  o 45.78220 13.03925 10.24164       29.40372 -47.13529     43.84602 57.13370       39.63795 33.62762 16.21445 57.93678 20.42499 -24.30915      26.07851 
1 1 1 -33 3  8  o 36.52127 12.01110 -24.31309      29.13222 -45.53108     43.16020 -6.556339      39.48326 33.94395 16.29502 39.09859 17.65045 -5.154640      24.02220 
1 1 1 -33 3  9  o 56.08251 14.60469 47.50877       29.05916 52.26760      41.79132 43.05403       40.43399 57.86870 20.90796 54.29633 20.39720 3.572369       29.20939 
1 1 1 -33 3  10 o 35.68911 11.86283 -33.09262      29.32790 -19.11144     41.58714 -46.92523      41.36559 38.08129 17.54068 33.29693 15.97598 4.784363       23.72567 
1 1 1 -33 3  11 o 69.16467 15.18691 77.63260       32.48689 102.9205      45.75312 51.91960       46.13608 79.22491 21.07848 59.10441 21.86930 20.12050       30.37382 
1 1 1 -33 3  12 o 46.17019 14.22928 0.7534463      34.14685 -23.58309     50.86496 20.71956       46.07191 42.22712 19.43121 50.11326 20.79226 -7.886135      28.45856 
1 1 1 -33 3  13 o 112.6523 11.84234 183.0954       35.66195 205.3528      54.59913 166.5350       47.09588 118.3419 17.13420 106.9626 16.35187 11.37926       23.68469 
1 1 1 -33 3  14 o 113.8067 18.48922 192.0896       56.65913 192.0896      56.65913 0.000000       0.000000 113.8067 18.48922 ?        ?        ?              ?        
1 1 1 -33 3  15 f 80.54651 15.22910 100.5641       35.60839 149.8726      52.28394 57.90667       48.63008 98.15910 20.44522 62.93393 22.57642 35.22517       30.45820 
1 1 1 -33 3  16 o 64.51083 16.06845 62.38635       34.63969 64.72681      46.44740 59.45320       51.99683 65.15750 22.15083 63.86416 23.28351 1.293343       32.13691 
1 1 1 -33 3  17 o 35.03054 11.94146 -61.23571      33.19792 -66.76508     44.46920 -54.27445      49.89593 32.83966 15.95198 37.22141 17.77437 -4.381744      23.88292 
1 1 1 -33 3  18 o 185.1113 10.77870 477.4013       53.72578 0.000000      0.000000 477.4013       53.72578 ?        ?        185.1113 10.77870 ?              ?        
1 1 1 -33 3  19 o 49.54975 14.23475 21.13533       30.31531 34.35638      40.27251 3.848204       46.05080 52.97435 20.24966 46.12515 20.01158 6.849194       28.46950 
1 1 1 -33 3  20 o 32.62854 11.18572 -62.53413      30.46304 -62.29651     41.90817 -62.80037      44.35868 32.00710 15.53331 33.24998 16.09961 -1.242882      22.37144 
1 1 1 -33 3  21 o 59.28091 15.20762 50.98418       31.30888 59.12229      45.99839 43.95944       42.73623 62.26019 21.99701 56.30164 21.00521 5.958553       30.41524 
1 1 1 -33 3  22 o 50.74436 14.80795 24.51777       33.32335 9.033092      48.78983 38.05705       45.62216 47.26781 20.55277 54.22092 21.32335 -6.953114      29.61590 
1 1 1 -33 3  23 o 57.04102 15.63150 46.38502       34.30795 49.82799      47.45967 42.61661       49.65211 57.99232 22.02667 56.08971 22.18560 1.902607       31.26299 
1 1 1 -33 3  24 o 86.91965 14.96411 122.7408       35.10631 87.04118      45.87691 173.1835       54.53330 71.26248 21.84125 102.5768 20.46114 -31.31432      29.92822 
1 1 1 -33 3  25 o 47.07928 14.70530 10.10321       36.23456 5.920254      47.93969 15.67729       55.34016 44.92995 19.92270 49.22861 21.63490 -4.298664      29.41059 
1 1 1 -33 3  26 o 55.47778 15.17402 48.47232       34.17381 73.57151      46.30534 18.44979       50.64362 63.38984 22.09406 47.56571 20.80520 15.82413       30.34805 
1 1 1 -33 3  27 f 49.07351 14.02572 16.81525       35.14472 79.38149      47.31961 -60.15611      52.48505 63.36188 22.31880 34.78514 16.99277 28.57673       28.05143 
1 1 1 -33 3  28 o 41.29868 13.43365 1.586223       34.49082 26.74431      50.98722 -19.63844      46.83202 45.90146 20.43954 36.69590 17.43780 9.205566       26.86730 
1 1 1 -33 5  5  o 48.42558 14.09276 41.89317       29.60085 42.15918      42.02549 41.63126       41.70026 48.51171 19.96759 48.33944 19.89267 0.1722679      28.18551 
1 1 1 -33 5  6  o 44.23132 13.41735 18.26328       29.73793 -5.133759     42.64772 40.40499       41.48784 38.71493 17.80671 49.74770 20.07542 -11.03278      26.83471 
1 1 1 -33 5  7  o 44.19909 13.32463 14.47536       28.73882 36.87770      41.49730 -6.172345      39.83905 50.05974 20.12112 38.33844 17.47352 11.72130       26.64927 
1 1 1 -33 5  8  o 78.50311 13.72792 104.0650       28.98455 120.2476      42.02811 89.38758       40.02583 84.95758 18.86344 72.04865 19.94977 12.90893       27.45583 
1 1 1 -33 5  9  o 121.7829 9.294683 219.7642       30.00762 250.3836      41.42175 185.9469       43.53117 131.8671 11.66564 111.6988 14.47333 20.16827       18.58937 
1 1 1 -33 5  10 o 106.1777 11.17492 172.3817       30.63373 198.3978      42.52917 144.3294       44.16224 116.5428 13.55245 95.81250 17.77208 20.73034       22.34985 
1 1 1 -33 5  11 o 62.17815 13.47111 50.55959       31.09618 114.5973      43.89975 -13.92873      44.05393 84.11674 19.72400 40.23956 18.35340 43.87719       26.94223 
1 1 1 -33 5  12 o 146.1605 8.990750 308.0893       35.14845 290.6618      51.72553 323.0396       47.90845 141.6784 13.55870 150.6426 11.81085 -8.964188      17.98150 
1 1 1 -33 5  13 o 37.74159 12.44218 -37.89050      32.69165 -90.68821     52.35847 -4.155571      41.85230 33.70980 16.57077 41.77338 18.56451 -8.063580      24.88436 
1 1 1 -33 5  14 o 77.36617 15.17383 97.71888       33.36069 75.90897      50.28473 114.8655       44.58595 69.10219 23.04923 85.63016 19.74117 -16.52797      30.34766 
1 1 1 -33 5  15 o 45.71714 13.69289 -8.079841      32.85078 -60.46638     47.25442 40.91815       45.70058 35.02657 16.87477 56.40771 21.56902 -21.38115      27.38577 
1 1 1 -33 5  16 o 55.81650 14.42399 24.03466       33.26640 84.10629      48.36960 -29.88289      45.82504 72.65791 22.45306 38.97509 18.11258 33.68282       28.84797 
1 1 1 -33 5  17 o 83.38676 14.64955 107.5233       33.10588 81.00946      44.38500 140.7706       49.70254 71.59959 21.38455 95.17393 20.02845 -23.57435      29.29911 
1 1 1 -33 5  18 o 95.09637 13.54338 132.0438       33.82989 93.27180      43.70995 189.9647       53.42428 76.77855 20.67982 113.4142 17.49395 -36.63566      27.08677 
1 1 1 -33 5  19 o 34.20361 11.63978 -62.26469      32.39553 -32.39316     43.74589 -98.53885      48.20667 37.29178 17.45109 31.11544 15.40770 6.176340       23.27956 
1 1 1 -33 5  20 o 52.69950 15.03982 31.06968       33.05804 37.91061      44.44106 22.59515       49.46348 54.25246 21.12896 51.14654 21.40914 3.105915       30.07963 
1 1 1 -33 5  21 o 48.94526 14.46685 10.08917       33.65734 -23.16268     45.67297 49.60669       49.79046 39.33289 18.21034 58.55763 22.48429 -19.22474      28.93371 
1 1 1 -33 5  22 o 45.84232 14.22600 4.448568       33.69197 -5.620798     45.62803 16.52147       49.96161 42.55047 19.11269 49.13418 21.07657 -6.583706      28.45200 
1 1 1 -33 5  23 o 39.31063 13.08996 -34.16029      35.32738 -41.38642     46.95446 -24.73371      53.62916 36.61298 17.41652 42.00829 19.54616 -5.395309      26.17991 
1 1 1 -33 5  24 o 46.10342 14.35007 1.976889       33.97985 -18.79459     43.18969 35.72213       55.04941 38.24570 17.70747 53.96112 22.58635 -15.71542      28.70014 
1 1 1 -33 5  25 o 40.23159 13.19756 -16.48923      33.40282 -23.03640     43.21392 -6.771194      52.64852 37.01329 17.32836 43.44989 19.91055 -6.436600      26.39511 
1 1 1 -33 5  26 o 34.86744 11.99070 -52.34797      33.89538 -60.09337     42.82462 -39.35821      55.45905 31.06699 15.21286 38.66788 18.53851 -7.600895      23.98140 
1 1 1 -33 5  27 o 38.01723 12.64352 -22.81208      34.78793 10.48582      45.91133 -67.70387      53.30831 42.33752 19.08017 33.69695 16.59462 8.640572       25.28703 
1 1 1 -33 5  28 o 40.81516 13.40994 1.252796       35.74118 14.22341      49.83847 -12.48104      51.28383 42.83935 19.53221 38.79098 18.37929 4.048374       26.81987 
1 1 1 -33 7  6  o 65.06207 13.59916 79.35049       30.40266 140.8143      44.17535 24.03934       41.90605 86.46277 19.44586 43.66138 19.01596 42.80139       27.19831 
1 1 1 -33 7  7  o 43.06201 13.14710 14.91201       28.80494 -6.981143     41.18376 35.87894       40.30319 37.86460 17.44626 48.25942 19.67264 -10.39482      26.29420 
1 1 1 -33 7  8  o 73.18814 13.63766 95.07154       28.90318 130.8454      40.87502 59.29688       40.87551 88.56590 17.75804 57.81038 20.70253 30.75553       27.27531 
1 1 1 -33 7  9  o 136.5681 8.297664 268.6213       30.32861 236.8811      40.47882 309.2431       45.79343 127.4246 11.79753 145.7117 11.67146 -18.28713      16.59533 
1 1 1 -33 7  10 o 37.98019 12.28890 -18.31583      29.14220 -44.47849     41.75025 6.542869       40.69653 33.35753 16.01700 42.60285 18.64200 -9.245316      24.57781 
1 1 1 -33 7  11 o 128.2929 9.571733 241.8096       32.81084 275.8524      46.67399 208.5503       46.13378 137.9689 12.56349 118.6168 14.44406 19.35205       19.14347 
1 1 1 -33 7  12 o 72.71417 15.39246 88.16645       32.90676 111.5855      48.69174 68.47797       44.64546 81.10479 21.81870 64.32356 21.71764 16.78123       30.78492 
1 1 1 -33 7  13 o 71.20212 15.61511 86.24110       33.26047 75.54489      51.18805 94.05688       43.75625 67.11875 23.23900 75.28549 20.86325 -8.166740      31.23021 
1 1 1 -33 7  14 o 45.91096 14.13637 7.300320       32.40248 12.65625      49.67779 3.334558       42.74724 48.30478 20.87088 43.51714 19.07235 4.787640       28.27275 
1 1 1 -33 7  15 o 92.27982 13.93835 135.8815       33.64322 162.2990      49.12299 112.5433       46.17146 101.7008 18.62447 82.85883 20.74222 18.84198       27.87671 
1 1 1 -33 7  16 o 76.62810 14.47611 96.15938       32.29931 135.7059      45.79208 57.00405       45.56500 92.59859 19.00247 60.65760 21.84347 31.94098       28.95222 
1 1 1 -33 7  17 o 40.61268 13.14049 -18.08403      32.58141 -4.261158     45.29408 -32.90582      46.90213 42.93980 19.18203 38.28556 17.96495 4.654243       26.28098 
1 1 1 -33 7  18 o 87.59415 14.42980 124.8426       33.39516 126.0405      46.59087 123.5770       47.89176 88.29662 20.05336 86.89168 20.75425 1.404945       28.85959 
1 1 1 -33 7  19 o 69.80499 16.63428 82.83400       37.14449 76.48493      54.01603 88.52958       51.16069 67.57060 23.84099 72.03939 23.20354 -4.468788      33.26856 
1 1 1 -33 7  20 o 45.26513 14.24841 0.2077570      34.91775 4.468899      46.64954 -5.221474      52.65668 45.16212 19.85532 45.36815 20.44102 -0.2060318     28.49682 
1 1 1 -33 7  21 o 44.92469 14.08236 -4.636339      33.20675 -24.26864     42.13992 27.52650       53.93682 37.19478 17.31311 52.65459 22.21503 -15.45981      28.16472 
1 1 1 -33 7  22 o 58.89762 15.55238 42.33626       33.64132 12.48575      41.92005 96.34132       56.38493 44.88604 19.28157 72.90919 24.40753 -28.02316      31.10476 
1 1 1 -33 7  23 o 105.3871 13.50974 190.1665       35.15944 218.6625      44.87211 144.8490       56.58724 121.2548 13.74340 89.51939 23.26308 31.73542       27.01947 
1 1 1 -33 7  24 o 52.04476 15.23457 30.94020       33.85307 12.78145      42.22062 63.63277       56.65081 43.98000 19.12115 60.10952 23.72236 -16.12953      30.46914 
1 1 1 -33 7  25 o 42.93235 13.83721 1.515208       33.97433 1.320403      42.09174 1.879370       57.54977 40.54345 18.27066 45.32125 20.78597 -4.777798      27.67442 
1 1 1 -33 7  26 o 70.64136 15.79489 104.5066       33.78402 108.5794      42.16912 97.20766       56.45191 75.60813 20.28996 65.67458 24.21222 9.933548       31.58978 
1 1 1 -33 7  27 o 42.08461 13.67917 -6.936332      36.07383 -49.18689     47.29761 51.82082       55.77677 32.85892 16.06851 51.31029 22.14230 -18.45137      27.35834 
1 1 1 -33 9  7  o 124.0527 9.566532 246.0491       31.21681 303.9953      44.79758 191.3497       43.52441 140.5966 11.83304 107.5088 15.03507 33.08778       19.13306 
1 1 1 -33 9  8  o 63.15207 14.03096 76.30682       28.41842 105.7854      40.22733 46.93829       40.15220 75.19574 19.64975 51.10841 20.03394 24.08733       28.06192 
1 1 1 -33 9  9  o 50.11765 13.95822 35.12761       29.15727 8.959805      40.20169 64.16885       42.35145 41.42097 18.31137 58.81432 21.07182 -17.39335      27.91644 
1 1 1 -33 9  10 o 53.88392 14.56583 46.97660       30.18264 61.01603      41.41832 31.07848       44.07483 58.77050 20.86145 48.99734 20.33355 9.773159       29.13165 
1 1 1 -33 9  11 o 34.36984 16.57886 -49.22729      45.94549 0.000000      0.000000 -49.22729      45.94549 ?        ?        34.36984 16.57886 ?              ?        
1 1 1 -33 9  12 f 122.4847 10.76586 222.7244       34.93170 285.6660      53.51194 175.9876       46.11172 137.9645 14.40456 107.0048 16.00386 30.95975       21.53172 
1 1 1 -33 9  13 o 45.55547 14.20688 5.795299       32.82361 19.47810      54.21605 -2.121878      41.24065 50.18618 21.74339 40.92476 18.29116 9.261425       28.41376 
1 1 1 -33 9  14 o 38.97375 12.84423 -22.77289      32.24469 -39.12089     53.80251 -13.60985      40.28004 39.76486 18.83623 38.18264 17.46693 1.582222       25.68847 
1 1 1 -33 9  15 o 48.75557 14.65732 19.07456       32.80692 26.66677      53.01535 14.36298       41.76386 52.01709 21.98949 45.49406 19.38583 6.523026       29.31464 
1 1 1 -33 9  16 o 40.27814 13.05128 -15.00173      32.01131 -27.02490     48.92646 -6.002639      42.32859 39.72453 18.54555 40.83176 18.36860 -1.107235      26.10255 
1 1 1 -33 9  17 o 90.41158 13.48764 127.9533       32.72589 187.5849      49.74392 82.44878       43.45396 110.9844 16.64541 69.83871 21.22724 41.14573       26.97527 
1 1 1 -33 9  18 o 63.85436 15.34961 65.34935       33.00611 37.78200      45.58039 95.74086       47.85824 53.30582 21.20194 74.40290 22.20179 -21.09708      30.69921 
1 1 1 -33 9  19 o 59.68467 15.30801 54.72129       32.23373 35.31735      43.19641 79.10216       48.42028 51.84572 20.63409 67.52362 22.61802 -15.67790      30.61602 
1 1 1 -33 9  20 o 42.47426 13.52028 -4.445719      32.93055 11.76674      41.75288 -31.12899      53.56505 44.39323 19.15743 40.55529 19.08362 3.837944       27.04056 
1 1 1 -33 9  21 o 78.92862 14.88567 116.3588       33.71067 138.9067      42.07530 75.93805       56.33481 93.02981 17.43729 64.82742 24.13033 28.20238       29.77133 
1 1 1 -33 9  22 o 60.89503 15.82189 66.30892       34.12797 72.40958      42.81773 55.68204       56.51165 63.73488 21.26964 58.05517 23.42928 5.679714       31.64378 
1 1 1 -33 9  23 o 36.50014 12.37897 -35.72318      32.48977 -38.24199     39.68699 -30.60487      56.57361 32.58269 15.63731 40.41759 19.19453 -7.834904      24.75794 
1 1 1 -33 9  24 o 40.71962 13.47887 -13.03874      33.82914 -23.25191     40.84475 9.271675       60.36844 34.97263 16.51971 46.46661 21.30304 -11.49399      26.95775 
1 1 1 -33 9  25 o 41.35801 13.40972 -1.605014      36.15747 30.09914      45.66138 -54.90858      59.20647 46.18350 19.98179 36.53252 17.88885 9.650978       26.81945 
1 1 1 -33 9  26 o 45.85890 14.65539 26.43304       38.25401 30.32393      48.54105 20.05602       62.14316 45.87513 20.20879 45.84267 21.23032 0.3245163E-01  29.31077 
1 1 1 -33 11 8  o 37.46120 12.23786 -7.352344      29.92544 -35.76900     43.03530 19.25289       41.64107 32.80367 15.87723 42.11874 18.62725 -9.315079      24.47572 
1 1 1 -33 11 9  o 60.36640 14.46488 69.77695       30.54392 32.01756      40.86315 117.5833       45.97928 45.48953 19.27189 75.24327 21.57604 -29.75374      28.92977 
1 1 1 -33 11 10 o 51.15306 14.66509 47.44853       31.49490 45.03957      45.02881 49.75577       44.06778 50.46466 20.70806 51.84147 20.77102 -1.376808      29.33017 
1 1 1 -33 11 11 o 44.47771 13.88831 15.24204       33.23363 -3.642933     50.43473 29.73492       44.18235 41.67256 19.23805 47.28287 20.03591 -5.610306      27.77662 
1 1 1 -33 11 12 o 37.92453 12.56997 -23.09714      33.15701 -55.05439     51.55987 -0.5617602     43.29716 35.30425 17.15552 40.54480 18.37674 -5.240551      25.13994 
1 1 1 -33 11 13 o 108.1808 12.53939 191.2254       35.01738 196.3656      54.73992 187.6649       45.55872 106.8362 19.75609 109.5254 15.44804 -2.689186      25.07878 
1 1 1 -33 11 14 o 41.06020 13.18448 -7.711243      32.88082 -40.96180     51.43898 15.26186       42.75655 37.49804 17.94492 44.62235 19.32102 -7.124310      26.36896 
1 1 1 -33 11 15 o 44.69945 20.15502 2.868155       51.30687 2.868155      51.30687 0.000000       0.000000 44.69945 20.15502 ?        ?        ?              ?        
1 1 1 -33 11 16 o 41.14832 13.28563 -7.240638      32.08141 0.5871228     50.55960 -12.51645      41.50777 44.10988 19.93746 38.18677 17.56502 5.923111       26.57127 
1 1 1 -33 11 17 o 82.40712 13.42757 116.7188       31.24197 164.1034      44.04159 68.72160       44.32541 102.6650 15.93152 62.14924 21.61910 40.51576       26.85514 
1 1 1 -33 11 18 o 47.86414 13.89548 16.31284       31.87346 -27.35114     45.06676 60.01217       45.08500 36.99285 17.43678 58.73544 21.64016 -21.74259      27.79097 
1 1 1 -33 11 19 o 72.57481 14.09437 101.0727       31.28353 128.9999      39.13232 51.62055       52.07324 89.09023 16.93152 56.05938 22.53726 33.03084       28.18873 
1 1 1 -33 11 20 o 97.42381 13.55306 154.6347       33.15141 132.6953      41.02387 195.9261       56.27993 89.26983 17.69198 105.5778 20.53621 -16.30798      27.10613 
1 1 1 -33 11 21 o 155.0916 9.063735 351.5363       35.91550 326.3508      43.78793 403.3124       62.78321 149.2302 10.89719 160.9529 14.48643 -11.72272      18.12747 
1 1 1 -33 11 22 o 51.49123 14.45843 43.52587       33.69112 69.87668      41.08012 -10.61243      58.88260 60.28211 20.82151 42.70034 20.06612 17.58176       28.91685 
1 1 1 -33 11 23 o 43.32892 14.04427 8.851534       34.29369 -1.791368     41.38999 32.15679       61.24805 38.09800 17.53007 48.55983 21.94681 -10.46183      28.08854 
1 1 1 -33 11 24 o 48.38547 14.70738 40.75898       34.48787 47.15952      42.44639 28.32536       59.16037 49.88463 20.24444 46.88631 21.33988 2.998314       29.41476 
1 1 1 -33 13 11 o 42.25936 13.43020 -1.758132      34.50140 56.18299      50.06939 -54.14317      47.60828 52.17427 21.66378 32.34446 15.87960 19.82981       26.86040 
1 1 1 -33 13 12 o 73.88963 15.78954 118.5127       34.31041 109.7498      50.25404 126.1638       46.95798 69.69974 23.03237 78.07953 21.60435 -8.379791      31.57907 
1 1 1 -33 13 13 o 58.63477 15.45048 73.87533       33.00372 62.80906      47.06286 84.58353       46.29522 54.87657 21.63311 62.39296 22.06529 -7.516384      30.90095 
1 1 1 -33 13 14 o 43.91805 13.78806 14.65095       33.10550 43.65785      49.08085 -9.562236      44.84224 49.96662 21.14216 37.86948 17.70457 12.09715       27.57613 
1 1 1 -33 13 15 o 75.88921 14.65282 111.2980       30.82246 99.05054      42.07354 125.4848       45.28218 71.09262 20.71322 80.68580 20.73122 -9.593178      29.30565 
1 1 1 -33 13 16 o 82.97677 14.01557 130.3641       31.76878 165.5167      44.77514 94.72792       45.08212 97.70201 17.67006 68.25153 21.76037 29.45049       28.03114 
1 1 1 -33 13 17 o 40.90612 13.06732 -6.996191      31.07109 -39.75019     40.22730 41.44137       48.91925 31.76723 15.36952 50.04502 21.13758 -18.27780      26.13464 
1 1 1 -33 13 18 o 37.13658 12.42054 -17.48146      31.94798 -18.96502     40.73912 -15.11178      51.48775 35.00381 16.52338 39.26936 18.54878 -4.265553      24.84108 
1 1 1 -33 13 19 o 52.33840 14.16183 51.62766       32.42714 79.45778      39.59916 -5.022265      56.49735 62.96316 20.42807 41.71363 19.61946 21.24953       28.32365 
1 1 1 -33 13 20 o 39.17350 13.04675 -11.67405      32.47787 -26.63449     39.37461 20.17036       57.44614 32.83465 15.70978 45.51236 20.83443 -12.67770      26.09350 
1 1 1 -33 13 21 o 56.03730 15.43330 69.03921       34.09344 75.79630      42.26189 56.44639       57.69394 59.80293 21.08941 52.27167 22.53848 7.531254       30.86659 
1 1 1 -33 13 22 o 57.30386 15.81193 58.94958       35.88216 19.49129      44.60653 131.2976       60.40080 42.76827 19.07567 71.83944 25.22275 -29.07117      31.62385 
1 1 1 -32 0  2  o 39.10589 17.80192 29.64065       43.62326 61.17074      64.55276 3.139082       59.18178 45.06079 27.64468 33.15099 22.43668 -0.000000      0.000000 
1 1 1 -32 0  3  o 35.60617 16.03794 -13.84898      40.08353 -100.8835     58.40140 63.66474       55.11462 23.01263 16.72694 48.19971 27.36916 -0.000000      0.000000 
1 1 1 -32 0  4  o 44.13081 18.57820 44.35049       40.43983 20.09799      62.57248 61.74660       52.99456 38.94633 25.22881 49.31529 27.27829 -0.000000      0.000000 
1 1 1 -32 0  5  o 50.67548 19.03110 46.06227       40.89423 109.0477      61.11604 -4.999963      55.02819 68.06310 30.87720 33.28785 22.25601 -0.000000      0.000000 
1 1 1 -32 0  6  o 48.26537 19.79320 49.03664       43.59961 23.43022      60.93029 75.90604       62.41483 40.75933 25.80269 55.77142 30.02174 -0.000000      0.000000 
1 1 1 -32 0  7  o 29.09081 14.33930 -43.47858      40.81704 -61.47034     60.88815 -28.79466      55.00689 28.07877 19.84231 30.10286 20.70615 -0.000000      0.000000 
1 1 1 -32 0  8  o 49.04708 19.85973 51.01994       41.44692 53.76377      60.44539 48.58503       56.94104 50.01922 28.55875 48.07494 27.60495 -0.000000      0.000000 
1 1 1 -32 0  9  o 32.04264 15.60648 -37.64842      44.47562 -51.81081     61.80197 -22.43482      64.05455 29.80474 20.83569 34.28053 23.24053 -0.000000      0.000000 
1 1 1 -32 0  10 o 144.6633 13.18539 310.7420       47.07833 386.7483      68.03292 240.9035       65.21412 164.1863 15.71957 125.1403 21.17341 -0.000000      0.000000 
1 1 1 -32 0  11 o 50.56750 19.42955 37.59196       47.14775 101.1847      62.55808 -46.02381      71.73377 67.71925 31.21325 33.41574 23.14655 -0.000000      0.000000 
1 1 1 -32 0  12 o 31.79395 15.71663 -58.27837      49.09751 -56.29589     64.98703 -60.91466      74.94064 30.54668 21.35682 33.04122 23.06375 -0.000000      0.000000 
1 1 1 -32 0  13 f 139.4433 15.85566 289.9395       54.48774 269.4970      71.79195 317.7140       83.68199 133.8819 21.60102 145.0048 23.21644 -0.000000      0.000000 
1 1 1 -32 0  14 o 188.8578 11.68843 506.4373       58.21038 519.1833      80.10455 492.1754       84.73422 191.8687 15.74905 185.8469 17.27558 -0.000000      0.000000 
1 1 1 -32 0  15 o 345.7892 8.761898 1647.567       81.22100 1639.555      111.7363 1656.542       118.2696 345.1075 12.05758 346.4708 12.71606 -0.000000      0.000000 
1 1 1 -32 0  16 o 53.13052 22.37486 40.28097       58.66769 -6.279330     77.66993 102.1386       89.52445 40.52322 26.88413 65.73783 35.77402 -0.000000      0.000000 
1 1 1 -32 0  17 o 122.7941 19.62369 229.1844       53.76459 195.9546      64.83776 302.3245       96.19260 110.0361 25.11507 135.5521 30.15942 -0.000000      0.000000 
1 1 1 -32 0  18 o 29.01879 14.70584 -98.79891      51.10032 -66.39311     60.48809 -179.5761      95.49988 28.12006 19.85311 29.91752 21.70024 -0.000000      0.000000 
1 1 1 -32 0  19 o 64.02139 21.37036 90.85594       43.57215 102.7430      49.26109 48.12357       93.39980 73.94800 26.89488 54.09478 33.21799 -0.000000      0.000000 
1 1 1 -32 0  20 o 62.07039 21.82217 19.97222       43.01619 -21.51591     47.91167 192.4349       97.68479 29.36122 19.96002 94.77956 38.81271 -0.000000      0.000000 
1 1 1 -32 0  21 o 32.68151 16.37893 -41.93811      42.27869 -38.19753     46.59353 -59.37425      100.5963 26.21130 18.27102 39.15172 27.18909 -0.000000      0.000000 
1 1 1 -32 0  22 o 36.46745 18.09074 -87.39244      41.78318 -120.8324     46.40934 55.69997       96.00211 18.77044 13.77810 54.16447 33.45540 -0.000000      0.000000 
1 1 1 -32 0  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  24 o 131.5643 16.59995 226.8920       46.12387 188.3162      51.86867 372.6723       100.8316 110.9511 19.04628 152.1774 27.19326 -0.000000      0.000000 
1 1 1 -32 0  25 o 53.58968 20.31859 68.61198       45.27613 89.72345      52.18700 4.360384       91.04270 63.70605 28.54074 43.47332 28.92762 -0.000000      0.000000 
1 1 1 -32 0  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  27 o 51.08363 20.64680 65.32228       48.94091 86.30338      57.02731 6.675856       95.34316 59.15718 29.47460 43.01008 28.92074 -0.000000      0.000000 
1 1 1 -32 0  28 o 118.0969 21.43422 268.1161       48.76302 269.0080      55.10612 264.8973       104.6878 133.3422 15.95144 102.8517 39.79012 -0.000000      0.000000 
1 1 1 -32 0  29 o 56.99514 22.67415 80.17938       49.36685 42.66969      58.29756 175.2522       92.81255 41.50212 25.82580 72.48817 37.27594 -0.000000      0.000000 
1 1 1 -32 0  30 o 35.66116 17.31736 4.562099       48.19672 -0.2076915    56.63310 17.09043       91.78407 32.07337 21.77466 39.24894 26.93378 -0.000000      0.000000 
1 1 1 -32 2  2  o 46.06919 13.78863 31.13857       30.70386 7.219670      43.80366 54.24123       43.04977 40.11106 18.29728 52.02731 20.63286 -11.91624      27.57726 
1 1 1 -32 2  3  o 53.06231 14.26686 48.97861       29.01789 70.85000      42.09462 29.17418       40.05619 60.17715 21.06043 45.94748 19.25179 14.22968       28.53372 
1 1 1 -32 2  4  o 57.33471 14.29957 55.17543       29.30712 81.41422      40.96516 27.66608       41.94525 67.15152 20.64857 47.51790 19.78755 19.63362       28.59914 
1 1 1 -32 2  5  o 66.22565 13.47805 73.51834       28.43928 30.82416      41.30722 111.9929       39.21288 49.47675 20.00864 82.97453 18.06338 -33.49778      26.95610 
1 1 1 -32 2  6  o 73.63145 12.26067 83.88656       29.74216 10.10395      42.14698 157.0754       41.97706 44.62019 19.25151 102.6427 15.18799 -58.02253      24.52134 
1 1 1 -32 2  7  o 41.16445 13.07853 -7.049109      30.11567 -5.292607     44.72841 -8.505722      40.73159 42.40226 18.99321 39.92665 17.98470 2.475613       26.15706 
1 1 1 -32 2  8  o 45.82200 13.74329 5.605858       30.30034 30.06831      44.21667 -16.05197      41.60481 52.30159 20.85718 39.34241 17.90222 12.95918       27.48657 
1 1 1 -32 2  9  o 113.2894 11.39741 189.7399       33.26809 152.1179      47.24516 226.7409       46.85365 100.3348 18.15564 126.2439 13.78319 -25.90903      22.79482 
1 1 1 -32 2  10 o 123.4033 10.42071 218.7979       34.58476 232.9561      50.26231 206.0668       47.66172 127.2211 14.67235 119.5854 14.80158 7.635735       20.84142 
1 1 1 -32 2  11 o 65.51170 15.32866 60.32353       35.82895 8.861218      51.75772 107.6754       49.64767 49.28756 21.29940 81.73586 22.05010 -32.44830      30.65732 
1 1 1 -32 2  12 o 70.32769 15.71082 74.11956       36.39862 30.39274      52.97620 113.2200       50.09536 55.78653 22.62458 84.86884 21.80476 -29.08231      31.42163 
1 1 1 -32 2  13 o 47.41183 14.60241 -2.342230      35.37000 -18.06794     50.04064 13.35847       50.00084 43.89908 19.83919 50.92457 21.43195 -7.025494      29.20483 
1 1 1 -32 2  14 o 61.75981 14.72903 29.16003       36.49669 108.5587      52.83145 -43.32016      50.47723 83.77844 22.80701 39.74117 18.64449 44.03727       29.45806 
1 1 1 -32 2  15 o 84.71126 15.87381 111.3479       37.75814 79.87608      53.26648 143.1326       53.53066 72.58938 23.69945 96.83314 21.12458 -24.24376      31.74762 
1 1 1 -32 2  16 o 58.79147 16.16737 39.94041       36.68706 45.22803      48.36355 32.77409       56.30361 59.58693 22.32283 57.99600 23.39289 1.590927       32.33475 
1 1 1 -32 2  17 o 46.12791 14.40708 -10.56135      36.15236 12.72626      48.80163 -38.88499      53.82032 50.26264 21.16443 41.99318 19.55308 8.269463       28.81417 
1 1 1 -32 2  18 o 81.03769 14.71854 96.85905       33.56126 59.30064      45.17313 143.1309       50.14009 64.33665 21.84500 97.73872 19.73165 -33.40207      29.43708 
1 1 1 -32 2  19 o 65.37183 14.95783 53.57359       32.36747 17.39593      42.41460 104.0186       50.08462 48.87934 20.08244 81.86431 22.17303 -32.98497      29.91567 
1 1 1 -32 2  20 o 51.39589 14.21153 26.00442       29.76960 3.099754      42.79657 47.47739       41.43745 44.61732 19.32445 58.17446 20.84313 -13.55714      28.42307 
1 1 1 -32 2  21 o 32.86230 11.18112 -52.80632      29.13173 -58.11194     41.03307 -47.41427      41.36592 32.01422 15.49716 33.71037 16.12164 -1.696148      22.36223 
1 1 1 -32 2  22 o 59.53601 14.86538 47.15314       30.79663 76.43571      46.01990 23.40372       41.44457 69.55489 21.96539 49.51714 20.03596 20.03775       29.73075 
1 1 1 -32 2  23 o 86.53552 13.27598 114.7340       30.04077 114.7262      42.88106 114.7415       42.09790 86.44228 18.94571 86.62877 18.60287 -0.1864853     26.55196 
1 1 1 -32 2  24 o 101.0770 11.37174 151.3250       29.89258 123.7935      40.89164 182.9234       43.80785 89.82989 17.53489 112.3241 14.48424 -22.49416      22.74348 
1 1 1 -32 2  25 o 51.37103 14.85870 28.30193       32.98746 38.64003      44.85253 16.12142       48.68546 54.00978 21.17332 48.73227 20.85220 5.277515       29.71740 
1 1 1 -32 2  26 o 52.86407 15.17809 34.21355       33.81462 26.29667      46.57728 43.03642       49.17018 50.18099 20.87024 55.54715 22.04384 -5.366161      30.35619 
1 1 1 -32 2  27 o 97.23164 14.12529 158.5367       35.65433 145.5895      48.23178 174.1363       52.94247 92.84123 19.89206 101.6221 20.05995 -8.780823      28.25059 
1 1 1 -32 2  28 o 97.92630 13.65339 164.9294       34.66113 156.0996      47.29570 175.1739       50.94383 95.26306 19.10286 100.5895 19.51259 -5.326469      27.30679 
1 1 1 -32 2  29 o 43.65273 13.74563 11.36283       33.92159 -20.18870     47.61222 43.88739       48.34082 37.17816 17.64234 50.12729 21.08356 -12.94913      27.49125 
1 1 1 -32 2  30 o 36.39407 12.36159 -34.37897      35.63004 -71.03903     49.44743 5.210989       51.38540 31.31722 15.52495 41.47091 19.24087 -10.15368      24.72318 
1 1 1 -32 4  2  o 31.75533 10.77735 -45.52319      28.61788 -106.6356     42.94159 3.306272       38.38435 25.83049 13.03718 37.68017 17.16499 -11.84967      21.55470 
1 1 1 -32 4  3  o 41.43675 12.59954 12.59107       27.33794 -19.88449     39.94835 41.19548       37.49186 34.35122 16.26000 48.52229 19.25112 -14.17107      25.19907 
1 1 1 -32 4  4  o 38.61346 12.40276 -5.158695      28.25760 8.113468      40.76792 -17.43122      39.20258 41.60037 18.41282 35.62656 16.62174 5.973816       24.80552 
1 1 1 -32 4  5  o 46.19866 13.46631 17.62411       28.68835 46.48048      41.01780 -10.00951      40.13936 54.17723 20.50139 38.22009 17.46593 15.95715       26.93262 
1 1 1 -32 4  6  o 129.2785 8.844108 243.4891       30.49726 207.3191      43.04936 279.9302       43.21038 118.8674 13.44995 139.6896 11.48790 -20.82223      17.68822 
1 1 1 -32 4  7  f 39.15919 12.49519 -10.09166      28.11061 0.6487823     40.11927 -20.45009      39.39932 41.62772 18.35320 36.69066 16.96111 4.937057       24.99038 
1 1 1 -32 4  8  o 69.79235 12.21737 67.86250       29.40429 -2.142385     41.00075 141.9971       42.19276 41.69999 18.46070 97.88472 16.00810 -56.18473      24.43474 
1 1 1 -32 4  9  o 126.8482 9.518820 229.0476       32.08312 277.0516      46.31369 184.7571       44.48623 140.2192 12.26644 113.4773 14.55906 26.74186       19.03764 
1 1 1 -32 4  10 o 82.27558 14.47950 106.4845       32.51516 80.22990      45.66194 133.4915       46.31171 71.29379 21.77989 93.25738 19.08559 -21.96359      28.95899 
1 1 1 -32 4  11 o 209.8898 6.724942 610.6240       37.99054 592.8743      53.87425 628.1806       53.58043 206.7495 9.677280 213.0301 9.340752 -6.280548      13.44988 
1 1 1 -32 4  12 o 39.11288 13.03742 -41.48983      34.86687 -31.58239     54.34601 -48.42075      45.45504 42.49865 19.74166 35.72711 17.03421 6.771538       26.07484 
1 1 1 -32 4  13 o 109.9728 13.74885 189.4888       37.56805 157.6566      61.03414 208.9055       47.66809 99.09155 23.27132 120.8540 14.64817 -21.76243      27.49770 
1 1 1 -32 4  14 o 68.32156 15.67772 71.35978       35.36915 32.13706      55.93467 97.49092       45.65532 57.34918 23.25143 79.29395 21.03650 -21.94477      31.35544 
1 1 1 -32 4  15 o 164.7184 11.91850 377.4397       52.86245 0.000000      0.000000 377.4397       52.86245 ?        ?        164.7184 11.91850 ?              ?        
1 1 1 -32 4  16 o 70.30484 16.16962 74.63136       35.09368 79.28210      46.92997 68.73170       52.85691 72.11584 22.08845 68.49384 23.62048 3.622009       32.33924 
1 1 1 -32 4  17 o 56.54182 14.50584 14.55090       31.43440 -25.85371     38.81828 91.51605       53.57570 36.44417 16.84309 76.63947 23.62177 -40.19530      29.01168 
1 1 1 -32 4  18 o 106.3059 20.74030 173.4464       57.23679 0.000000      0.000000 173.4464       57.23679 ?        ?        106.3059 20.74030 ?              ?        
1 1 1 -32 4  19 o 38.63636 12.62483 -24.93949      30.55640 -17.43435     39.62825 -35.94539      47.98859 38.22523 17.42397 39.04750 18.27431 -0.8222733     25.24966 
1 1 1 -32 4  20 o 38.37333 12.57910 -28.18476      31.15510 -16.45836     43.73720 -40.26383      44.39000 40.34033 18.35591 36.40633 17.20453 3.934002       25.15821 
1 1 1 -32 4  21 o 37.15408 12.15359 -25.38778      28.74588 -17.98368     40.84930 -32.65113      40.45914 38.64858 17.64540 35.65959 16.71763 2.988995       24.30719 
1 1 1 -32 4  22 o 53.80354 13.67930 28.95899       28.90388 -12.64982     40.70133 71.29089       41.05347 39.83576 17.95770 67.77132 20.64011 -27.93555      27.35860 
1 1 1 -32 4  23 o 77.03191 13.65293 92.80901       29.35480 59.58766      41.09732 127.4125       41.94352 62.47152 20.83747 91.59230 17.64682 -29.12078      27.30587 
1 1 1 -32 4  24 o 45.20836 13.51282 10.98021       29.30309 28.77689      39.03467 -11.99829      44.35493 49.52635 19.64520 40.89037 18.55940 8.635975       27.02564 
1 1 1 -32 4  25 o 78.63640 15.12538 108.9810       34.39140 133.7844      44.51893 72.27190       54.15965 91.59013 18.68440 65.68266 23.79079 25.90748       30.25076 
1 1 1 -32 4  26 o 41.47423 13.27981 -16.26960      33.95179 18.21811      45.19942 -60.92469      51.43232 47.22202 20.14589 35.72644 17.30771 11.49559       26.55962 
1 1 1 -32 4  27 f 95.94847 14.53288 160.3829       36.21325 165.3392      48.43476 154.1003       54.53230 99.58664 18.75027 92.31031 22.20915 7.276329       29.06577 
1 1 1 -32 4  28 o 34.74654 11.81185 -40.59795      32.53622 -57.90461     46.33532 -23.76439      45.69763 32.59438 15.93176 36.89869 17.44300 -4.304302      23.62370 
1 1 1 -32 4  29 o 46.82867 14.46144 32.18206       34.62686 20.50631      48.11163 44.72966       49.87555 43.98116 19.69958 49.67618 21.17685 -5.695026      28.92287 
1 1 1 -32 6  3  o 88.36079 13.21639 145.4369       31.02044 123.6998      44.78290 165.4869       43.00986 78.34910 20.85775 98.37250 16.23719 -20.02340      26.43279 
1 1 1 -32 6  4  o 52.18919 13.70158 40.03045       29.37815 85.44691      42.08749 -3.125606      41.02676 66.01746 21.02281 38.36090 17.57767 27.65656       27.40316 
1 1 1 -32 6  5  o 52.84618 14.19526 44.99656       28.38634 31.57303      40.49471 57.96537       39.80293 48.24518 19.69904 57.44717 20.44430 -9.201996      28.39052 
1 1 1 -32 6  6  o 106.5065 10.41418 171.4227       29.81292 184.8670      42.74529 158.6881       41.60163 110.8930 14.31530 102.1201 15.12920 8.772972       20.82836 
1 1 1 -32 6  7  o 83.24729 13.14153 111.9233       28.71326 115.0974      40.25319 108.6353       40.96965 84.78281 18.17806 81.71177 18.98307 3.071045       26.28305 
1 1 1 -32 6  8  o 114.5042 9.677502 190.5633       29.78635 206.5662      43.18056 176.0358       41.14187 119.2283 13.45010 109.7801 13.91801 9.448212       19.35500 
1 1 1 -32 6  9  o 85.92978 13.40183 116.3333       30.13156 125.4895      44.28260 108.4390       41.11808 89.09496 19.03630 82.76459 18.86943 6.330376       26.80366 
1 1 1 -32 6  10 o 115.6658 11.74936 201.8312       34.54148 155.1117      50.00537 244.4658       47.76936 100.3779 19.20064 130.9538 13.54716 -30.57581      23.49872 
1 1 1 -32 6  11 o 115.2739 11.66622 192.0650       34.07291 267.3714      51.49063 133.4012       45.44619 137.0127 13.95674 93.53512 18.69792 43.47758       23.33244 
1 1 1 -32 6  12 o 44.76134 13.78196 -18.37650      35.35138 -85.61552     53.58799 33.43138       47.03863 35.12862 17.16263 54.39408 21.56881 -19.26546      27.56391 
1 1 1 -32 6  13 o 46.65074 14.43971 2.111671       34.38085 5.854939      51.26429 -0.9483222     46.35001 48.40829 21.05812 44.89319 19.76301 3.515095       28.87942 
1 1 1 -32 6  14 o 71.69856 12.67966 71.44025       31.71431 -5.944721     45.07852 147.2811       44.62652 43.18333 19.22474 100.2138 16.53797 -57.03047      25.35931 
1 1 1 -32 6  15 o 67.18562 15.65748 70.60384       32.81154 65.36659      44.96909 76.56649       47.98240 64.97754 21.79691 69.39371 22.48380 -4.416168      31.31495 
1 1 1 -32 6  16 o 51.88448 14.79653 27.77210       31.57648 29.57677      41.22247 25.20967       49.12038 51.31863 20.24132 52.45034 21.58791 -1.131702      29.59306 
1 1 1 -32 6  17 f 35.56554 12.05764 -56.78827      32.48420 -73.57432     42.79446 -33.96638      49.89869 31.03229 15.19834 40.09879 18.72318 -9.066504      24.11529 
1 1 1 -32 6  18 o 149.6982 8.834650 307.1414       35.05097 256.0058      45.16222 384.6004       55.58402 134.5341 12.46693 164.8623 12.52118 -30.32813      17.66930 
1 1 1 -32 6  19 o 49.15301 14.70149 10.75147       34.87528 33.77510      46.71728 -18.23087      52.41522 54.30812 21.50756 43.99790 20.04894 10.31022       29.40298 
1 1 1 -32 6  20 o 47.16279 14.00212 11.75722       30.92525 28.49924      40.44473 -11.80984      47.98557 50.91279 20.05957 43.41278 19.54101 7.500004       28.00424 
1 1 1 -32 6  21 o 45.15088 13.57257 2.150542       28.50137 -14.54152     36.04898 29.98186       46.54840 36.93452 16.75150 53.36723 21.35990 -16.43270      27.14514 
1 1 1 -32 6  22 f 31.08311 10.64791 -55.43927      27.32771 -57.52795     36.97125 -52.92368      40.57394 29.74903 14.47247 32.41719 15.62242 -2.668159      21.29583 
1 1 1 -32 6  23 o 38.00340 12.39778 -21.16947      29.21228 -28.29583     38.70385 -11.73566      44.53117 34.99245 16.38766 41.01436 18.60819 -6.021915      24.79557 
1 1 1 -32 6  24 o 96.62213 14.00093 155.0837       34.34999 169.9447      43.25656 129.7153       56.51635 107.0697 15.00382 86.17455 23.64295 20.89516       28.00186 
1 1 1 -32 6  25 o 45.48292 14.23429 0.3855931      34.02014 -17.56780     43.91840 27.32002       53.79316 38.96788 17.97641 51.99797 22.07506 -13.03009      28.46857 
1 1 1 -32 6  26 o 85.01389 15.46665 126.4035       34.49109 118.8876      42.81354 140.3010       58.21832 83.87486 19.35080 86.15293 24.13329 -2.278076      30.93330 
1 1 1 -32 6  27 o 49.44498 14.78254 30.48721       33.45776 19.61451      43.64304 45.98606       52.10698 45.29519 19.56637 53.59477 22.16418 -8.299576      29.56507 
1 1 1 -32 6  28 o 43.98329 13.88896 5.001128       35.13777 -35.86320     47.53971 54.20690       52.16658 34.99545 16.87642 52.97114 22.06353 -17.97569      27.77792 
1 1 1 -32 6  29 o 58.11698 15.95517 75.48357       37.35718 105.4949      53.03674 45.93336       52.62769 66.58081 23.60967 49.65316 21.46749 16.92765       31.91034 
1 1 1 -32 8  4  o 45.77523 13.66938 30.64783       30.02920 8.239610      43.36209 51.29811       41.62646 40.28027 18.30866 51.27018 20.30272 -10.98991      27.33876 
1 1 1 -32 8  5  o 125.4711 9.490684 242.9383       31.84913 208.8916      43.68455 281.5703       46.53325 115.3106 14.06939 135.6317 12.74145 -20.32107      18.98137 
1 1 1 -32 8  6  o 61.32522 14.82406 67.26266       29.93820 50.54800      41.25160 85.86371       43.51719 54.57446 20.58191 68.07597 21.34002 -13.50151      29.64813 
1 1 1 -32 8  7  o 108.9534 10.16548 177.8392       29.66406 155.1218      40.28566 204.7448       43.84227 101.0506 14.80568 116.8563 13.93342 -15.80568      20.33097 
1 1 1 -32 8  8  o 55.10972 14.34397 44.99554       28.53377 29.44629      39.31826 62.29631       41.47364 48.96210 19.61893 61.25734 20.93074 -12.29523      28.68795 
1 1 1 -32 8  9  o 101.9728 11.43232 160.0662       30.04240 133.9995      43.68264 183.4610       41.38328 91.92751 18.29083 112.0182 13.71997 -20.09065      22.86465 
1 1 1 -32 8  10 o 64.49970 15.13979 66.47323       31.48859 46.56484      43.84960 87.67017       45.24642 56.53844 21.24090 72.46097 21.57955 -15.92253      30.27958 
1 1 1 -32 8  11 o 181.8731 7.426920 464.3957       36.35829 481.7312      51.81348 447.5790       51.03219 185.3006 10.38443 178.4457 10.62074 6.854889       14.85384 
1 1 1 -32 8  12 o 50.43989 14.54257 19.46152       32.96951 -12.53790     49.63316 44.73137       44.10646 43.76160 19.76937 57.11817 21.33348 -13.35657      29.08515 
1 1 1 -32 8  13 o 42.99557 13.37839 -11.93753      31.78945 -46.88144     45.74158 20.70783       44.21159 36.20644 17.21349 49.78471 20.48464 -13.57827      26.75677 
1 1 1 -32 8  14 o 54.81120 21.33438 35.72650       45.28957 35.72650      45.28957 0.000000       0.000000 54.81120 21.33438 ?        ?        ?              ?        
1 1 1 -32 8  15 o 44.58024 13.36859 -13.98793      30.45485 -55.32371     40.19578 41.72067       46.66363 32.05449 15.47337 57.10598 21.80486 -25.05149      26.73719 
1 1 1 -32 8  16 o 40.58849 12.55794 -18.13657      29.82411 23.59697      38.10055 -84.16773      47.92511 48.55939 19.36222 32.61759 15.99723 15.94180       25.11588 
1 1 1 -32 8  17 o 70.01814 14.63130 69.89277       30.00771 43.71815      38.27948 111.6189       48.33147 56.01697 20.03708 84.01930 21.32640 -28.00233      29.26260 
1 1 1 -32 8  18 o 53.60078 14.37445 19.15068       30.57646 -14.43639     38.90574 73.40889       49.44932 38.51148 17.44068 68.69009 22.85435 -30.17861      28.74889 
1 1 1 -32 8  19 o 108.7601 11.60281 167.3946       33.18958 149.5016      41.87283 197.6345       54.43542 101.7378 15.28504 115.7824 17.46046 -14.04457      23.20561 
1 1 1 -32 8  20 o 47.99523 14.40447 9.538733       31.61103 -4.361291     39.87830 33.03989       51.85295 40.94900 18.16340 55.04146 22.36171 -14.09246      28.80894 
1 1 1 -32 8  21 o 63.73759 15.07595 64.11138       29.73148 60.62271      37.50890 70.00834       48.76612 61.83891 19.86272 65.63628 22.68501 -3.797375      30.15191 
1 1 1 -32 8  22 o 71.89742 15.38592 86.85521       32.05579 88.61718      41.13538 84.13070       51.15165 73.50627 20.17221 70.28857 23.23764 3.217697       30.77184 
1 1 1 -32 8  23 o 59.81177 15.99537 53.54346       34.21704 45.22775      42.86028 68.15784       56.81927 55.41929 20.96031 64.20424 24.16761 -8.784946      31.99075 
1 1 1 -32 8  24 o 71.39455 15.97803 79.68189       34.38409 48.87488      42.49395 138.1002       58.51630 55.93649 20.93048 86.85262 24.14756 -30.91614      31.95606 
1 1 1 -32 8  25 o 71.26580 13.91815 99.56296       34.11913 140.9821      41.40916 11.99242       60.21085 93.52924 17.07147 49.00236 21.98693 44.52687       27.83631 
1 1 1 -32 8  26 o 41.53543 13.44678 -5.552248      32.19052 -17.63865     40.04034 16.53646       54.12955 35.94880 16.78091 47.12207 21.01582 -11.17328      26.89356 
1 1 1 -32 8  27 o 46.52547 14.46295 26.73960       35.74703 41.03055      44.61349 1.109635       59.74611 49.29306 20.45694 43.75787 20.45045 5.535191       28.92589 
1 1 1 -32 8  28 o 47.37468 14.53999 30.64381       37.84090 66.35078      49.06230 -21.78784      59.45222 55.13579 21.97570 39.61356 19.04504 15.52222       29.07998 
1 1 1 -32 10 5  o 71.39031 13.98064 100.2314       27.79962 100.3291      38.87011 100.1291       39.77470 71.70093 19.58091 71.07970 19.96050 0.6212311      27.96128 
1 1 1 -32 10 6  o 98.72552 11.59048 163.0095       29.99747 142.9195      40.47927 187.4814       44.67621 90.80726 17.18434 106.6438 15.55813 -15.83654      23.18096 
1 1 1 -32 10 7  o 87.32895 12.27148 124.5479       28.20065 99.36933      37.31608 158.0768       43.06163 75.56004 18.49135 99.09787 16.13774 -23.53783      24.54296 
1 1 1 -32 10 8  o 57.34541 14.13898 54.27410       28.34840 29.10529      39.89419 79.94498       40.29013 47.69881 19.52293 66.99202 20.45723 -19.29321      28.27796 
1 1 1 -32 10 9  o 55.61743 14.42576 49.74920       28.41168 43.64543      40.68900 55.55693       39.68999 53.42029 20.36985 57.81457 20.43231 -4.394279      28.85152 
1 1 1 -32 10 10 o 57.02005 14.52034 48.46535       30.82969 15.94400      44.93567 77.38766       42.37634 46.68888 20.00692 67.35121 21.04957 -20.66233      29.04069 
1 1 1 -32 10 11 o 39.13949 12.82273 -20.96031      31.79742 -23.86771     48.81417 -18.81734      41.90838 40.22462 18.69350 38.05436 17.55682 2.170258       25.64545 
1 1 1 -32 10 12 o 77.79613 14.63237 104.6036       32.30498 72.32551      50.44330 127.0471       42.06248 65.81923 23.05340 89.77303 18.02682 -23.95380      29.26475 
1 1 1 -32 10 13 o 61.86832 14.88509 56.89455       31.19529 90.71706      46.27445 28.71885       42.23532 73.48517 21.80939 50.25146 20.26363 23.23370       29.77019 
1 1 1 -32 10 14 o 107.2342 11.58307 171.7591       32.41183 206.3089      48.41821 143.7057       43.62941 118.1506 15.21912 96.31781 17.46563 21.83278       23.16613 
1 1 1 -32 10 15 o 51.47935 13.76089 20.27127       30.37972 -27.67769     42.34481 71.12818       43.60995 36.96979 17.25736 65.98890 21.43901 -29.01911      27.52177 
1 1 1 -32 10 16 o 46.19772 14.11497 9.711529       32.08696 3.250612      48.54270 14.72501       42.76086 45.86457 20.20638 46.53086 19.71376 -0.6662941     28.22995 
1 1 1 -32 10 17 o 46.17127 13.44598 9.474305       30.20322 43.83610      39.73730 -37.53401      46.47803 55.01778 20.30828 37.32476 17.62812 17.69302       26.89195 
1 1 1 -32 10 18 f 49.15392 14.30817 24.09164       29.98857 25.22656      38.18190 22.26431       48.44898 48.00774 19.29911 50.30009 21.12911 -2.292355      28.61634 
1 1 1 -32 10 19 o 36.00943 12.15488 -43.19532      29.70758 -54.01834     36.02904 -20.20960      52.50582 29.37036 14.28793 42.64851 19.66773 -13.27815      24.30976 
1 1 1 -32 10 20 o 71.82790 15.46660 82.92908       31.14569 72.31242      38.01315 104.6131       54.32629 66.49022 19.77462 77.16557 23.78712 -10.67535      30.93320 
1 1 1 -32 10 21 o 55.77631 15.36611 36.36530       32.26337 16.70373      39.60852 75.13370       55.61841 45.38083 19.08572 66.17178 24.08743 -20.79095      30.73222 
1 1 1 -32 10 22 o 45.39083 14.37018 -11.66924      33.47228 -35.03067     40.02625 42.66664       61.04338 33.98333 16.14071 56.79833 23.77996 -22.81500      28.74037 
1 1 1 -32 10 23 o 68.97784 16.10913 80.27821       31.99771 69.53863      37.54877 108.7604       61.14894 63.65375 19.80132 74.30192 25.41504 -10.64817      32.21827 
1 1 1 -32 10 24 o 57.78863 15.84498 43.20431       32.40140 20.12491      37.84083 106.6205       62.72613 44.21953 18.62918 71.35773 25.63605 -27.13821      31.68996 
1 1 1 -32 10 25 o 65.33708 14.92968 86.96862       33.41204 111.7576      41.89351 43.64074       55.38611 78.33228 19.84023 52.34187 22.31473 25.99041       29.85937 
1 1 1 -32 10 26 o 40.60436 13.52611 -20.29284      37.02041 -55.72541     47.17461 36.50776       59.72875 32.27598 15.83811 48.93274 21.93118 -16.65676      27.05222 
1 1 1 -32 10 27 o 55.68432 14.76015 59.37351       37.87205 114.7389      48.78551 -24.59313      60.07934 71.97366 22.60025 39.39499 18.99149 32.57867       29.52030 
1 1 1 -32 12 7  o 30.86281 10.61548 -41.24274      28.12071 -44.76191     40.07928 -37.83060      39.46521 30.54376 14.90510 31.18186 15.11924 -0.6381054     21.23096 
1 1 1 -32 12 8  o 79.09436 13.99350 118.6318       30.08717 99.41304      42.88847 137.2551       42.21881 70.71684 20.99827 87.47188 18.50257 -16.75504      27.98701 
1 1 1 -32 12 9  o 65.32971 14.55213 80.93118       30.67212 49.36804      44.61475 109.2193       42.23672 53.32584 21.04985 77.33360 20.09879 -24.00776      29.10426 
1 1 1 -32 12 10 o 93.06483 13.72540 150.8669       33.66596 127.6121      50.01354 170.1343       45.52420 82.83990 22.03696 103.2898 16.36823 -20.44985      27.45080 
1 1 1 -32 12 11 o 73.25754 15.67764 99.06038       33.47064 96.17391      51.98731 101.1039       43.74250 71.09962 23.42289 75.41546 20.84519 -4.315842      31.35528 
1 1 1 -32 12 12 o 63.76176 15.56363 71.06779       32.12409 79.68772      49.68556 64.87622       42.10933 66.23785 22.89759 61.28566 21.08570 4.952183       31.12726 
1 1 1 -32 12 13 o 45.17352 13.18836 4.200971       30.86629 -59.70834     47.43690 51.12713       40.64824 33.97434 16.49681 56.37270 20.58123 -22.39836      26.37672 
1 1 1 -32 12 14 o 56.70775 13.87325 44.71329       31.06773 -12.35617     46.98455 89.05183       41.41368 41.08654 18.82077 72.32896 20.38742 -31.24243      27.74650 
1 1 1 -32 12 15 o 61.18162 13.35491 50.22478       29.61938 112.8206      43.19973 -5.307001      40.68919 82.37302 19.73552 39.99022 17.99788 42.38280       26.70982 
1 1 1 -32 12 16 o 51.21236 14.02556 30.34554       28.93704 4.977568      39.15915 60.86177       42.94927 41.79674 18.28796 60.62798 21.27006 -18.83123      28.05111 
1 1 1 -32 12 17 o 87.79032 13.18732 128.7024       30.41515 150.4310      40.03622 99.04734       46.77207 100.1682 14.84362 75.41247 21.80112 24.75571       26.37465 
1 1 1 -32 12 18 o 68.67017 14.87860 81.21296       29.67562 81.72861      37.42360 80.33949       48.70713 69.94883 19.25903 67.39149 22.68437 2.557335       29.75720 
1 1 1 -32 12 19 o 48.21020 13.83915 23.90992       31.01853 49.64338      37.83200 -28.86950      54.18044 55.53967 19.91397 40.88072 19.22297 14.65895       27.67831 
1 1 1 -32 12 20 o 56.52770 15.52055 41.14484       31.81009 21.64917      37.95271 87.18013       58.32021 45.36394 18.85069 67.69147 24.66174 -22.32753      31.04110 
1 1 1 -32 12 21 o 123.4268 12.03832 251.1502       32.93753 262.1553      38.68130 222.1264       62.81739 134.7099 10.66395 112.1437 21.58621 22.56618       24.07663 
1 1 1 -32 12 22 o 47.05599 14.38742 23.84833       31.45354 28.88100      36.44442 9.155524       62.27071 46.31205 18.77119 47.79993 21.80903 -1.487873      28.77484 
1 1 1 -32 12 23 o 55.98743 14.56619 59.78400       32.42497 80.99946      38.70355 9.837414       59.38512 65.83006 20.03885 46.14480 21.14568 19.68526       29.13238 
1 1 1 -32 12 24 o 46.53188 14.28742 30.44163       34.21590 45.05196      42.52657 3.622571       57.61721 49.84254 20.25050 43.22122 20.16033 6.621323       28.57484 
1 1 1 -32 12 25 o 60.32418 16.21443 82.09295       35.68958 69.89271      45.73193 101.0983       57.07865 56.77931 21.60855 63.86906 24.18061 -7.089752      32.42887 
1 1 1 -32 14 9  o 51.73326 14.58315 45.36975       32.99821 91.43252      48.84849 6.707015       44.75303 63.27925 22.63481 40.18728 18.39397 23.09197       29.16629 
1 1 1 -32 14 10 o 37.22793 12.40759 -18.88030      32.24666 13.61186      48.36127 -44.89092      43.26968 42.57889 19.34644 31.87697 15.54055 10.70193       24.81518 
1 1 1 -32 14 11 o 49.10813 14.48264 40.88692       32.25920 28.49230      47.04209 51.88966       44.32210 46.06242 20.10221 52.15384 20.85397 -6.091419      28.96527 
1 1 1 -32 14 12 o 39.66968 12.54957 -11.96586      30.72694 -66.83617     44.62305 37.51069       42.37310 30.60717 15.09423 48.73218 20.05319 -18.12500      25.09913 
1 1 1 -32 14 13 f 51.81850 14.03504 43.45300       29.79475 69.33902      39.93787 10.96391       44.74258 60.69868 20.54052 42.93833 19.13155 17.76036       28.07008 
1 1 1 -32 14 14 o 60.71107 13.68240 67.51893       27.96893 94.38669      37.03269 31.84506       42.67217 73.35002 18.69495 48.07213 19.98326 25.27789       27.36479 
1 1 1 -32 14 15 o 60.56691 14.31194 65.82314       27.34021 56.62323      36.51956 77.55451       41.23898 56.55899 19.62628 64.57484 20.83591 -8.015846      28.62387 
1 1 1 -32 14 16 o 66.22475 14.51571 79.65667       28.20942 73.67815      36.68118 88.31087       44.13264 64.11131 19.50664 68.33820 21.50150 -4.226883      29.03142 
1 1 1 -32 14 17 o 40.41417 12.77256 0.4673896E-01  29.91833 22.53345      37.88288 -37.22689      48.77316 44.44886 18.67806 36.37948 17.42651 8.069378       25.54512 
1 1 1 -32 14 18 o 40.73592 13.16064 -11.45430      30.41021 -33.02680     37.30074 31.30474       52.51473 31.92342 15.27819 49.54841 21.43330 -17.62499      26.32127 
1 1 1 -32 14 19 o 62.94225 15.73717 72.88292       31.25920 59.63539      37.48438 103.1316       56.64167 56.95048 19.87694 68.93402 24.40371 -11.98354      31.47434 
1 1 1 -32 14 20 o 42.23875 13.54590 9.510304       30.39548 9.462211      35.46316 9.643439       59.00322 39.15574 17.25975 45.32176 20.88220 -6.166027      27.09179 
1 1 1 -32 14 21 o 48.74805 14.84409 33.45247       33.00721 17.52644      39.90886 67.93098       58.72052 41.83625 18.37966 55.65985 23.31472 -13.82360      29.68818 
1 1 1 -32 14 22 o 43.44868 20.24118 8.272047       57.79308 0.000000      0.000000 8.272047       57.79308 ?        ?        43.44868 20.24118 ?              ?        
1 1 1 -32 14 23 o 43.78483 13.88072 18.12662       35.61533 41.54877      45.38511 -19.41632      57.45980 48.20153 20.35938 39.36813 18.87310 8.833397       27.76145 
1 1 1 -32 16 14 o 69.08672 13.55892 101.5620       29.69992 132.9893      38.15303 53.23030       47.31424 86.76322 16.93873 51.41023 21.17678 35.35299       27.11783 
1 1 1 -32 16 15 o 40.77191 13.03139 11.12125       29.43156 5.728190      36.87815 20.58202       48.84442 37.75313 17.04925 43.79070 19.71274 -6.037563      26.06279 
1 1 1 -32 16 16 o 47.49517 13.79338 39.61418       29.53789 53.32688      37.16330 16.09160       48.67380 52.11096 19.55903 42.87938 19.45440 9.231575       27.58676 
1 1 1 -32 16 17 o 55.54238 14.42652 65.51484       29.68751 76.32890      36.48983 44.34246       51.05783 61.87796 19.56118 49.20679 21.20986 12.67117       28.85304 
1 1 1 -32 16 18 o 33.70754 11.70786 -51.45097      32.40266 -71.53918     39.71316 -11.44492      56.04366 27.36309 13.62261 40.05200 19.04521 -12.68891      23.41571 
1 1 1 -31 1  1  o 57.68805 11.79082 36.18086       27.95241 127.4066      40.80335 -44.48908      38.37011 84.95901 18.37110 30.41709 14.78501 54.54193       23.58164 
1 1 1 -31 1  2  o 51.43085 13.44936 31.20991       28.68656 -13.63316     40.28513 77.33919       40.85878 37.21507 17.18496 65.64664 20.69342 -28.43157      26.89871 
1 1 1 -31 1  3  o 55.18106 14.43104 46.24933       28.60762 58.73763      41.74873 35.19502       39.27872 59.64135 20.96806 50.72077 19.83332 8.920574       28.86209 
1 1 1 -31 1  4  o 80.85373 13.41719 104.9683       28.73381 114.2311      41.32372 96.29763       39.98103 84.61623 18.64022 77.09123 19.30351 7.524994       26.83437 
1 1 1 -31 1  5  o 56.32472 14.61800 43.08809       29.46113 61.55094      43.67334 27.67059       39.90930 62.80549 21.47855 49.84395 19.83471 12.96154       29.23600 
1 1 1 -31 1  6  o 136.6500 8.703194 262.8244       32.00354 273.9031      45.35856 251.8417       45.16178 139.6345 12.06378 133.6656 12.54781 5.968872       17.40639 
1 1 1 -31 1  7  o 167.1534 7.461975 390.6884       33.48395 359.4246      47.59444 421.3269       47.11609 160.2463 11.03024 174.0605 10.05277 -13.81422      14.92395 
1 1 1 -31 1  8  o 75.13430 14.95692 87.59618       32.38409 63.53967      46.07846 111.0758       45.52265 65.33659 22.06341 84.93201 20.20009 -19.59541      29.91384 
1 1 1 -31 1  9  o 70.91046 15.23911 75.46098       31.81940 62.39134      43.24524 90.88947       46.98599 65.03591 21.35993 76.78500 21.74109 -11.74909      30.47822 
1 1 1 -31 1  10 o 75.86145 16.18317 99.52512       36.08930 80.79056      48.95874 121.8185       53.40681 68.38018 22.74020 83.34272 23.03178 -14.96254      32.36633 
1 1 1 -31 1  11 o 28.46781 14.45503 -280.8257      42.04961 -356.1008     60.96911 -212.5370      58.07096 ?        ?        28.46781 14.45503 ?              ?        
1 1 1 -31 1  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  14 o 311.5844 6.669592 1306.737       55.79966 1434.990      82.48856 1198.540       75.76476 325.6046 9.408487 297.5642 9.455908 28.04044       13.33918 
1 1 1 -31 1  15 o 314.8892 9.788924 1342.896       82.99961 1342.896      82.99961 0.000000       0.000000 314.8892 9.788924 ?        ?        ?              ?        
1 1 1 -31 1  16 o 200.7600 9.420729 549.5679       50.82669 581.6763      71.31809 516.4277       72.45499 206.8124 12.80678 194.7076 13.81981 12.10477       18.84146 
1 1 1 -31 1  17 o 496.4656 6.810864 3335.449       91.01872 3390.382      130.7696 3283.831       126.7637 500.4078 9.705083 492.5233 9.558391 7.884521       13.62173 
1 1 1 -31 1  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  21 o 35.99263 12.40354 -76.99772      38.81571 -99.56797     53.89079 -52.66550      55.95478 33.03273 16.34525 38.95253 18.66075 -5.919807      24.80707 
1 1 1 -31 1  22 o 57.71099 15.67885 35.28039       35.91903 5.471366      53.51776 59.71466       48.45334 50.47243 21.73520 64.94954 22.60279 -14.47710      31.35770 
1 1 1 -31 1  23 o 41.82962 13.17350 -30.26772      33.43803 23.13733      46.10081 -89.55418      48.57302 51.26754 20.98551 32.39170 15.93026 18.87584       26.34701 
1 1 1 -31 1  24 o 98.60645 11.59293 143.7934       29.77841 119.4798      41.31217 170.0881       42.96236 88.50829 17.94855 108.7046 14.67766 -20.19631      23.18586 
1 1 1 -31 1  25 o 49.62358 13.19394 17.34339       26.81602 -17.70802     36.17299 60.10894       39.95569 36.29867 16.58503 62.94850 20.52455 -26.64983      26.38788 
1 1 1 -31 1  26 f 39.05112 12.47549 -18.82920      29.57181 10.56518      39.82480 -54.95615      44.15066 44.36500 18.91821 33.73724 16.26815 10.62776       24.95098 
1 1 1 -31 1  27 o 53.03735 14.99031 35.78973       32.33015 39.30212      47.26289 32.70082       44.32212 54.36652 21.60046 51.70817 20.79082 2.658352       29.98063 
1 1 1 -31 1  28 o 34.02419 11.62170 -56.19708      32.59758 -82.05742     46.83557 -31.89999      45.39791 31.19402 15.39860 36.85435 17.41089 -5.660324      23.24341 
1 1 1 -31 1  29 o 101.0270 12.92233 169.7341       34.27114 148.0368      46.94064 194.5018       50.15203 92.42816 19.47532 109.6258 16.98995 -17.19767      25.84466 
1 1 1 -31 1  30 o 95.95911 13.53370 169.8903       34.08407 140.5148      49.26857 196.8534       47.20212 83.69570 21.68572 108.2225 16.19796 -24.52682      27.06740 
1 1 1 -31 3  1  o 32.50912 10.99685 -34.33783      27.91803 -62.84083     40.28979 -8.011249      38.72104 28.86759 14.25615 36.15066 16.74768 -7.283072      21.99369 
1 1 1 -31 3  2  o 48.25309 13.60126 32.97178       26.44474 39.82991      39.80815 27.55473       35.37939 50.71929 19.92726 45.78690 18.51706 4.932396       27.20252 
1 1 1 -31 3  3  f 51.58117 14.01846 34.78979       27.95407 59.02891      42.40617 16.16255       37.17450 59.37732 21.10535 43.78502 18.45625 15.59231       28.03692 
1 1 1 -31 3  4  o 54.98841 14.40141 44.54931       28.58189 34.87871      41.02161 53.67348       39.84583 51.62819 20.24637 58.34863 20.48624 -6.720440      28.80281 
1 1 1 -31 3  5  o 80.37968 13.66510 103.9017       29.80608 75.54978      41.90190 132.9412       42.40696 68.10340 20.87369 92.65596 17.64168 -24.55256      27.33020 
1 1 1 -31 3  6  o 171.7161 7.282242 408.3879       33.61905 436.5078      49.14790 383.6599       46.08846 177.2549 10.29730 166.1774 10.29999 11.07751       14.56448 
1 1 1 -31 3  7  o 131.8001 8.975547 243.9789       31.72862 270.2645      47.42177 222.6750       42.69208 138.1494 12.74810 125.4509 12.63835 12.69852       17.95109 
1 1 1 -31 3  8  o 110.9227 10.87310 177.4173       32.37397 180.5929      47.84660 174.7358       43.96653 111.5640 15.92735 110.2814 14.80596 1.282623       21.74620 
1 1 1 -31 3  9  o 204.3893 10.07732 574.5623       55.46088 574.5623      55.46088 0.000000       0.000000 204.3893 10.07732 ?        ?        ?              ?        
1 1 1 -31 3  10 o 75.19206 13.29578 80.15770       36.03305 -15.81521     52.26989 167.0686       49.74098 44.23942 20.10560 106.1447 17.40334 -61.90529      26.59157 
1 1 1 -31 3  11 o 92.88599 15.31680 140.5224       39.85745 86.48556      57.55967 190.3014       55.24543 72.88842 24.65919 112.8836 18.17533 -39.99514      30.63361 
1 1 1 -31 3  12 o 56.83954 16.20492 -1.886610      44.42017 -81.73744     66.00574 64.21400       60.05439 42.91345 20.47887 70.76563 25.11998 -27.85218      32.40984 
1 1 1 -31 3  13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  20 o ?        ?        -221.1833      55.61168 -221.1833     55.61168 0.000000       0.000000 ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  21 o 52.08511 14.37690 6.546711       35.06635 -61.12608     50.91722 67.60246       48.36385 37.07468 17.77164 67.09553 22.60419 -30.02085      28.75380 
1 1 1 -31 3  22 f 58.91070 15.37662 44.88730       32.28415 51.51964      46.37719 38.65168       44.96875 61.31945 22.04198 56.50194 21.44559 4.817516       30.75324 
1 1 1 -31 3  23 o 46.61382 13.56119 12.01933       28.68987 36.55616      40.75138 -12.09392      40.39812 53.59447 20.39762 39.63318 17.87627 13.96129       27.12239 
1 1 1 -31 3  24 o 53.09489 12.34102 19.38558       27.27972 84.47359      38.44698 -46.60660      38.71310 73.75182 19.17981 32.43796 15.53506 41.31385       24.68204 
1 1 1 -31 3  25 o 134.9513 8.214241 258.9198       29.42212 286.5527      40.00996 226.3807       43.41685 143.4619 10.35733 126.4407 12.75228 17.02120       16.42848 
1 1 1 -31 3  26 o 54.52629 14.06484 29.21515       30.70891 -15.04399     41.68113 81.76345       45.41688 38.98590 17.80902 70.06667 21.77424 -31.08077      28.12968 
1 1 1 -31 3  27 o 97.71064 13.66247 151.9919       35.15705 117.6085      47.73722 192.7451       51.97137 83.45387 21.20143 111.9674 17.23809 -28.51355      27.32494 
1 1 1 -31 3  28 o 51.88113 14.48088 31.25422       33.37245 68.48643      44.99371 -14.27738      49.75639 62.42410 21.77769 41.33815 19.09229 21.08596       28.96176 
1 1 1 -31 3  29 o 46.80938 13.46742 -2.468928      32.55946 -73.06133     44.67786 77.48506       47.54813 30.40662 15.01549 63.21214 22.36114 -32.80552      26.93484 
1 1 1 -31 3  30 o 39.27958 13.02280 -7.998267      34.72587 -18.88414     48.00421 3.951578       50.29548 37.14669 17.65280 41.41246 19.15076 -4.265762      26.04559 
1 1 1 -31 5  1  o 44.27460 12.91510 20.18673       27.13680 60.29372      40.03199 -13.91228      36.91204 54.63741 20.34052 33.91179 15.92051 20.72562       25.83020 
1 1 1 -31 5  2  o 35.44732 11.69576 -17.33603      27.77292 -33.22919     41.60720 -4.563953      37.29874 33.79578 16.16419 37.09886 16.90805 -3.303085      23.39152 
1 1 1 -31 5  3  o 50.74752 13.51426 32.65579       28.27228 -5.600251     41.07010 67.11356       38.97797 39.40673 17.87559 62.08831 20.27323 -22.68158      27.02851 
1 1 1 -31 5  4  o 43.02910 13.07481 9.501006       27.41715 18.23447      39.17157 1.113569       38.38773 45.48664 19.04708 40.57156 17.91679 4.915085       26.14962 
1 1 1 -31 5  5  o 54.47729 14.47395 42.42970       28.86904 37.89122      41.52414 46.67568       40.16380 53.01480 20.48561 55.93978 20.45289 -2.924980      28.94790 
1 1 1 -31 5  6  o 152.8289 7.623344 327.4321       31.35513 342.2031      45.01267 313.5088       43.70208 156.2202 10.70075 149.4375 10.86073 6.782700       15.24669 
1 1 1 -31 5  7  o 129.1921 9.348619 234.8848       32.34837 271.1563      47.66069 203.9042       44.04763 138.5953 12.77110 119.7888 13.65598 18.80649       18.69724 
1 1 1 -31 5  8  f 46.97973 14.03926 4.970773       31.72355 35.43043      46.65781 -21.21661      43.26213 54.76158 21.55508 39.19787 17.99393 15.56371       28.07851 
1 1 1 -31 5  9  o 121.4036 10.14931 211.6993       32.90587 200.2416      48.84190 221.2227       44.52849 117.8525 15.39113 124.9548 13.23432 -7.102303      20.29862 
1 1 1 -31 5  10 o 64.39348 16.08622 57.68700       34.94574 49.39433      49.66941 65.81567       49.17575 61.52805 22.70614 67.25891 22.79248 -5.730862      32.17244 
1 1 1 -31 5  11 f 49.22386 14.91064 5.510394       36.32178 -20.67578     53.95079 27.21854       49.12167 44.71112 20.36099 53.73660 21.78849 -9.025486      29.82127 
1 1 1 -31 5  12 o 30.05957 10.69310 -139.7066      38.54753 -133.3718     56.97163 -145.0554      52.35000 31.42798 15.74748 28.69115 14.47019 2.736830       21.38620 
1 1 1 -31 5  13 o 95.13847 16.58660 151.6844       42.22124 117.8507      68.94556 171.9859       53.40680 84.02141 26.92313 106.2555 19.38055 -22.23412      33.17319 
1 1 1 -31 5  14 o 38.62910 18.92145 -218.5360      44.35972 -119.4705     66.39398 -298.4171      59.61960 38.62910 18.92145 ?        ?        ?              ?        
1 1 1 -31 5  15 o ?        ?        -401.4292      63.98841 0.000000      0.000000 -401.4292      63.98841 ?        ?        ?        ?        ?              ?        
1 1 1 -31 5  16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 5  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 5  18 o 30.34821 10.82666 -156.0345      39.67658 -150.5578     51.03793 -164.3999      63.07744 28.24723 14.25156 32.44918 16.30214 -4.201948      21.65333 
1 1 1 -31 5  19 o 30.75830 10.87967 -128.4870      38.15414 -92.42609     50.19336 -177.8417      58.72076 32.09702 15.86245 29.41957 14.89469 2.677448       21.75935 
1 1 1 -31 5  20 o 53.22866 15.34840 24.26075       34.13671 27.15006      43.45662 19.60488       55.16448 52.25933 20.72846 54.19800 22.64120 -1.938675      30.69680 
1 1 1 -31 5  21 o 62.82529 15.04919 56.51987       30.62514 44.88911      43.19651 68.27421       43.42538 58.23223 21.22317 67.41836 21.34219 -9.186131      30.09838 
1 1 1 -31 5  22 o 50.05648 13.89368 27.89158       27.36387 30.29071      38.90651 25.54313       38.49352 50.93792 19.78855 49.17505 19.50770 1.762878       27.78736 
1 1 1 -31 5  23 o 42.10980 12.76315 1.544203       26.32487 -14.11661     35.88940 19.78286       38.73071 36.83868 16.71047 47.38093 19.29644 -10.54226      25.52631 
1 1 1 -31 5  24 f 47.06398 13.32033 16.28942       26.94007 39.65684      38.14228 -6.972253      38.05589 54.36206 19.92310 39.76590 17.68601 14.59616       26.64066 
1 1 1 -31 5  25 o 98.16275 12.14322 150.1329       30.47884 182.8174      41.85987 113.2532       44.46518 112.3603 13.83572 83.96520 19.96006 28.39509       24.28644 
1 1 1 -31 5  26 o 43.66955 13.30520 -32.09472      32.79548 -97.06205     43.71696 51.52505       49.59718 28.64352 14.26541 58.69558 22.46356 -30.05206      26.61041 
1 1 1 -31 5  27 o 76.32107 15.37303 101.9040       33.04858 102.0138      44.59649 101.7702       49.22038 77.00429 20.95068 75.63785 22.50308 1.366440       30.74605 
1 1 1 -31 5  28 o 54.00192 14.90430 45.00567       32.13208 25.68374      45.02477 65.06010       45.87027 47.83068 20.24468 60.17317 21.87935 -12.34249      29.80861 
1 1 1 -31 5  29 o 49.89309 14.89826 37.73867       34.74619 51.54279      48.87688 23.63496       49.40441 53.36719 21.69927 46.41899 20.41995 6.948196       29.79652 
1 1 1 -31 5  30 o 35.20655 17.18072 -45.61879      53.25620 0.000000      0.000000 -45.61879      53.25620 ?        ?        35.20655 17.18072 ?              ?        
1 1 1 -31 7  2  o 52.81406 14.53632 54.04153       29.62250 56.37738      44.25228 52.14501       39.87405 53.40320 21.00109 52.22493 20.10404 1.178272       29.07264 
1 1 1 -31 7  3  o 103.7523 10.38370 166.7341       28.90690 177.6109      43.12243 157.8578       38.95549 106.4644 15.04234 101.0403 14.31828 5.424141       20.76740 
1 1 1 -31 7  4  o 47.51656 13.39500 22.90953       27.95041 52.82740      39.12691 -8.266833      39.94137 56.49929 20.25256 38.53384 17.53676 17.96544       26.79000 
1 1 1 -31 7  5  o 52.32264 14.26799 37.97100       28.65670 29.65986      41.28529 45.69817       39.80844 49.70998 20.03824 54.93530 20.31677 -5.225323      28.53598 
1 1 1 -31 7  6  o 86.61049 12.48022 124.4362       30.04678 47.14682      43.12463 197.3547       41.88749 56.55637 21.10040 116.6646 13.33404 -60.10824      24.96044 
1 1 1 -31 7  7  o 50.27469 13.98031 22.40380       29.28565 53.65689      43.14856 -4.289646      39.87696 59.72052 21.28268 40.82887 18.13405 18.89165       27.96062 
1 1 1 -31 7  8  o 183.1903 6.880560 463.7241       33.90648 483.8866      49.30135 445.6286       46.70586 186.9285 9.794896 179.4520 9.665839 7.476501       13.76112 
1 1 1 -31 7  9  o 99.81444 18.31350 151.5706       47.40686 151.5706      47.40686 0.000000       0.000000 99.81444 18.31350 ?        ?        ?              ?        
1 1 1 -31 7  10 o 114.3808 11.74819 193.3922       34.48639 246.6342      50.37837 146.4412       47.30851 131.0531 14.27623 97.70847 18.66197 33.34461       23.49638 
1 1 1 -31 7  11 o 72.77328 16.17386 83.20515       35.69686 69.51504      51.31286 96.04411       49.69211 67.70506 23.27723 77.84151 22.46210 -10.13646      32.34773 
1 1 1 -31 7  12 o 68.36834 16.24752 67.25426       35.32714 83.26073      53.25953 54.67931       47.20657 73.93288 23.66019 62.80380 22.27382 11.12907       32.49503 
1 1 1 -31 7  13 o 43.27386 13.69149 -20.59188      33.93198 -50.21798     47.82296 9.444411       48.15289 37.32698 17.70378 49.22073 20.89029 -11.89374      27.38299 
1 1 1 -31 7  14 o 34.06529 11.76112 -83.48666      35.40943 -83.77247     49.43406 -83.18549      50.74465 33.70390 16.47024 34.42668 16.79365 -0.7227783     23.52224 
1 1 1 -31 7  15 o 84.15706 14.40923 104.1555       33.90423 56.42257      44.60820 169.4448       52.17072 62.32803 21.68758 105.9861 18.97768 -43.65806      28.81845 
1 1 1 -31 7  16 o 35.83490 12.14554 -83.17950      33.63274 -136.3049     44.45467 -12.06775      51.43239 26.37754 13.30729 45.29227 20.32172 -18.91472      24.29107 
1 1 1 -31 7  17 o 42.97655 13.69109 -15.23471      33.02862 -18.17426     43.64826 -11.29661      50.52078 40.62085 18.42702 45.33224 20.25411 -4.711388      27.38218 
1 1 1 -31 7  18 o 70.38557 15.54507 59.03170       37.36280 4.180012      49.46535 131.8988       57.01274 48.51030 20.89315 92.26083 23.02330 -43.75053      31.09013 
1 1 1 -31 7  19 o 35.65009 12.22329 -71.68458      34.59451 -78.98598     43.90755 -59.73238      56.17722 31.37023 15.37041 39.92994 19.01014 -8.559717      24.44657 
1 1 1 -31 7  20 o 57.58330 14.98162 45.25811       30.43416 44.87758      40.87876 45.73130       45.58573 56.95684 20.66307 58.20977 21.69870 -1.252930      29.96324 
1 1 1 -31 7  21 o 38.55456 12.14886 -34.65915      26.57136 -70.59793     33.50319 26.27387       43.62453 26.09005 12.90595 51.01906 20.58680 -24.92901      24.29773 
1 1 1 -31 7  22 o 85.44565 11.45407 108.9745       25.56350 119.7820      34.80463 96.31452       37.66960 91.54449 14.11957 79.34682 18.03941 12.19767       22.90813 
1 1 1 -31 7  23 o 63.92199 13.38807 59.42620       26.62945 94.39846      38.72739 28.06118       36.67576 78.28902 18.63912 49.55495 19.22354 28.73407       26.77614 
1 1 1 -31 7  24 o 61.46758 14.72713 58.67162       29.17761 48.48220      40.08606 70.15263       42.55091 57.05521 20.49426 65.87995 21.15509 -8.824738      29.45425 
1 1 1 -31 7  25 o 125.6124 15.36766 234.7937       51.97849 0.000000      0.000000 234.7937       51.97849 ?        ?        125.6124 15.36766 ?              ?        
1 1 1 -31 7  26 o 50.53988 14.61502 29.93210       32.24318 43.55635      40.28617 5.651668       53.78088 53.93634 20.34003 47.14341 20.99234 6.792934       29.23004 
1 1 1 -31 7  27 o 131.3272 10.00692 262.6483       34.68171 270.7398      45.46062 251.3818       53.64353 135.3927 12.46972 127.2618 15.65438 8.130836       20.01384 
1 1 1 -31 7  28 o 46.86547 14.34268 20.11945       35.14945 47.92319      47.26778 -14.27432      52.57187 52.97819 21.41099 40.75275 19.08977 12.22544       28.68535 
1 1 1 -31 7  29 o 43.97443 13.89782 15.47490       34.26919 46.47199      50.60657 -10.77711      46.57231 50.09746 21.34335 37.85140 17.80615 12.24606       27.79564 
1 1 1 -31 9  2  o 50.76418 14.09784 50.12534       29.28646 31.17892      44.99709 64.04966       38.57519 45.53284 19.76797 55.99551 20.10531 -10.46267      28.19568 
1 1 1 -31 9  3  o 114.0736 9.613791 205.7605       29.50366 216.4655      42.76802 196.0401       40.75376 116.9128 13.58544 111.2344 13.60646 5.678337       19.22758 
1 1 1 -31 9  4  f 37.31267 12.13668 -9.751161      28.14327 -2.195265     38.73313 -18.20146      40.96148 38.43797 17.40516 36.18737 16.91911 2.250603       24.27336 
1 1 1 -31 9  5  o 59.22701 14.06458 58.08955       27.53670 36.64063      38.22091 81.23903       39.70716 50.21906 19.58449 68.23495 20.19151 -18.01590      28.12916 
1 1 1 -31 9  6  o 60.80968 14.05676 58.29037       27.98264 32.20321      38.56270 87.30373       40.66802 49.65399 19.57975 71.96536 20.17433 -22.31137      28.11352 
1 1 1 -31 9  7  o 38.04831 12.06544 -10.14896      26.15291 8.091341      37.25969 -27.86265      36.71788 42.25901 18.16635 33.83760 15.88341 8.421410       24.13087 
1 1 1 -31 9  8  o 87.54135 12.45794 119.3901       28.30187 120.7862      38.88956 117.8181       41.26584 88.54362 16.92846 86.53908 18.28190 2.004547       24.91587 
1 1 1 -31 9  9  o 108.1158 11.82232 175.3585       32.51986 126.5713      45.20831 227.6723       46.81374 90.18954 19.20439 126.0421 13.79350 -35.85252      23.64465 
1 1 1 -31 9  10 o 84.20278 13.87837 110.2706       32.74734 153.1921      46.05510 66.37882       46.57269 102.5074 16.68549 65.89814 22.18177 36.60928       27.75674 
1 1 1 -31 9  11 o 74.05318 14.49676 83.70623       32.54813 39.68900      45.11184 131.4987       47.00663 55.91344 21.41780 92.19292 19.54230 -36.27948      28.99352 
1 1 1 -31 9  12 o 98.76733 12.06087 145.4465       30.38613 94.59811      41.30652 205.4140       44.85777 77.68507 19.71409 119.8496 13.90009 -42.16453      24.12173 
1 1 1 -31 9  13 o 69.47366 14.76267 75.70027       29.57977 72.13201      38.90040 80.59170       45.54531 67.86657 19.95802 71.08074 21.75828 -3.214172      29.52533 
1 1 1 -31 9  14 o 141.8175 8.141847 272.5307       30.54356 223.4285      39.21987 348.2101       48.69052 126.1334 11.54762 157.5016 11.48090 -31.36820      16.28369 
1 1 1 -31 9  15 f 50.88092 13.00929 -26.64330      30.36933 -99.66510     38.58431 92.25048       49.23388 26.09333 13.05758 75.66850 22.50480 -49.57517      26.01857 
1 1 1 -31 9  16 o 62.37909 14.77984 58.77290       31.61582 83.20972      40.86554 22.33962       49.89812 72.74203 20.16372 52.01615 21.61478 20.72589       29.55968 
1 1 1 -31 9  17 o 134.8957 9.216219 241.3940       32.27779 176.9915      40.39710 355.1060       53.67871 111.4169 13.46529 158.3746 12.58732 -46.95768      18.43244 
1 1 1 -31 9  18 o 52.95449 14.52648 33.88086       27.90991 35.19230      33.09460 30.65104       51.93658 51.13668 18.58576 54.77230 22.33035 -3.635616      29.05297 
1 1 1 -31 9  19 o 51.80380 14.49606 29.31668       27.65868 28.43527      32.48248 31.64092       52.74728 48.24706 18.24727 55.36055 22.52954 -7.113491      28.99212 
1 1 1 -31 9  20 o 33.75337 11.06149 -41.73471      26.76319 1.178801      34.25463 -108.9778      42.87913 39.89807 17.28458 27.60867 13.80830 12.28940       22.12297 
1 1 1 -31 9  21 o 42.68789 12.99888 0.4888641      27.84964 -18.71835     39.81870 18.88211       38.96584 38.05729 17.39328 47.31850 19.32247 -9.261211      25.99777 
1 1 1 -31 9  22 o 55.23214 14.34687 42.99068       27.99302 43.28951      39.17484 42.67889       40.01474 55.27232 20.20093 55.19195 20.37776 0.8036804E-01  28.69374 
1 1 1 -31 9  23 o 68.90018 14.90038 79.00909       30.43774 86.84263      40.31622 68.62563       46.41644 72.99995 19.94438 64.80039 22.14289 8.199562       29.80077 
1 1 1 -31 9  24 o 47.20699 14.00168 16.93181       31.45378 36.92266      38.48762 -23.27043      54.57964 51.73417 19.79101 42.67980 19.81171 9.054371       28.00335 
1 1 1 -31 9  25 o 41.39287 13.37573 -8.703304      32.26547 -4.407821     40.13893 -16.54766      54.24235 39.78305 17.89292 43.00269 19.88679 -3.219635      26.75147 
1 1 1 -31 9  26 o 50.33708 15.07402 25.33214       33.98466 9.167126      42.14749 55.37446       57.45798 42.96789 18.88219 57.70627 23.50248 -14.73838      30.14803 
1 1 1 -31 9  27 f 56.45815 15.64870 48.44331       34.71305 18.26744      43.39941 102.0337       57.83590 44.30894 19.32339 68.60737 24.61979 -24.29843      31.29740 
1 1 1 -31 9  28 o 48.63391 14.40919 36.02344       33.73602 1.905102      47.75261 70.02007       47.66737 40.35209 18.66039 56.91573 21.96108 -16.56364      28.81838 
1 1 1 -31 11 4  o 79.07328 13.45133 118.2305       28.78142 92.27020      40.23236 145.4424       41.19070 67.72160 20.38986 90.42496 17.55012 -22.70335      26.90266 
1 1 1 -31 11 5  o 46.26595 13.31209 30.69724       26.37003 38.83868      35.41321 20.56441       39.50753 48.79378 18.90047 43.73811 18.75152 5.055672       26.62419 
1 1 1 -31 11 6  o 107.8429 10.20814 172.7384       27.53188 114.6153      35.86425 256.1427       42.96173 84.10738 16.42520 131.5784 12.12590 -47.47099      20.41628 
1 1 1 -31 11 7  o 35.81213 11.45515 -35.98185      26.94615 -95.67505     38.18850 23.20828       38.02724 25.61169 12.84171 46.01256 18.97293 -20.40087      22.91030 
1 1 1 -31 11 8  o 37.49930 12.15047 -16.94702      28.13497 -33.76413     39.94437 -0.3892851     39.63514 34.26346 16.23022 40.73513 18.08634 -6.471668      24.30094 
1 1 1 -31 11 9  o 121.4977 9.524526 215.4082       31.11050 203.3925      44.13357 227.2762       43.86146 117.8164 13.91169 125.1789 13.01273 -7.362511      19.04905 
1 1 1 -31 11 10 f 41.38853 13.26436 -12.98309      32.31558 -29.78057     46.17531 3.141684       45.24126 38.35024 17.94091 44.42682 19.54219 -6.076584      26.52873 
1 1 1 -31 11 11 o 62.22938 14.35546 56.05900       31.20673 98.61818      43.98670 12.92893       44.28074 77.73701 20.66044 46.72175 19.93647 31.01525       28.71092 
1 1 1 -31 11 12 o 96.20393 12.07584 135.9346       30.18958 105.4050      39.82731 177.1688       46.28594 82.35762 18.42081 110.0502 15.61977 -27.69261      24.15168 
1 1 1 -31 11 13 o 50.54068 14.13193 23.28465       28.83384 5.939335      37.90736 47.09784       44.41618 42.90247 18.37986 58.17890 21.47152 -15.27644      28.26385 
1 1 1 -31 11 14 o 101.8142 11.06180 145.2708       29.74929 126.4865      37.83719 175.6833       48.14462 93.75974 14.98715 109.8687 16.27386 -16.10892      22.12359 
1 1 1 -31 11 15 o 41.11564 12.89668 -5.055885      28.03802 -0.1301740    35.91451 -12.74318      44.86649 40.39855 17.59926 41.83273 18.85639 -1.434185      25.79336 
1 1 1 -31 11 16 o 75.27997 13.93702 89.97961       28.22843 96.71904      35.38963 78.19186       46.80365 80.10632 16.93644 70.45361 22.13863 9.652718       27.87403 
1 1 1 -31 11 17 o 70.07346 14.53871 76.00002       28.00985 75.35653      33.85434 77.39630       49.86921 70.13445 17.87433 70.01247 22.93479 0.1219788      29.07742 
1 1 1 -31 11 18 o 89.79708 13.05410 116.4666       28.32440 108.1866      33.32758 138.0025       53.74870 86.82059 14.25600 92.77357 21.87247 -5.952988      26.10821 
1 1 1 -31 11 19 o 40.82266 12.59224 -0.4000667     26.77240 16.66170      32.72604 -34.92323      46.55183 43.57402 17.74089 38.07130 17.87508 5.502724       25.18447 
1 1 1 -31 11 20 o 76.23945 13.90446 98.79549       28.82189 112.5900      35.58238 72.47716       49.14860 86.04993 15.94396 66.42896 22.78434 19.62097       27.80892 
1 1 1 -31 11 21 o 32.36535 11.15158 -57.01713      29.06947 -55.56584     35.71442 -59.86598      50.03815 28.97941 14.12592 35.75128 17.25946 -6.771868      22.30315 
1 1 1 -31 11 22 o 49.77245 13.83700 29.15122       29.61441 50.68481      35.12144 -23.82249      55.08638 56.77511 19.26193 42.76978 19.87029 14.00533       27.67400 
1 1 1 -31 11 23 o 62.30460 14.70148 67.97346       30.96471 85.24736      37.42837 30.50777       55.12168 71.72699 19.05569 52.88221 22.39230 18.84478       29.40296 
1 1 1 -31 11 24 o 72.32007 15.36494 83.87837       31.56302 57.69174      38.52969 137.3026       55.03320 58.35324 20.16427 86.28690 23.18897 -27.93365      30.72989 
1 1 1 -31 11 25 o 37.69579 12.62375 -39.74693      31.39936 -67.25887     38.43549 15.45533       54.44403 28.18576 13.92033 47.20582 21.06324 -19.02006      25.24749 
1 1 1 -31 11 26 o 37.99753 12.62424 -14.96136      32.78447 -5.955970     42.21285 -28.64985      52.04408 38.13095 17.60208 37.86411 18.10117 0.2668419      25.24848 
1 1 1 -31 11 27 o 40.44302 13.28248 -5.295054      35.63945 -37.42604     50.00291 27.88203       50.81037 35.14570 17.03587 45.74034 20.38324 -10.59464      26.56497 
1 1 1 -31 13 5  o 79.43887 13.45277 119.2549       28.34359 115.4153      38.68882 123.7030       41.64164 78.60056 18.57437 80.27719 19.46539 -1.676636      26.90554 
1 1 1 -31 13 6  o 82.17746 12.96321 122.0216       27.94655 105.7292      37.78368 141.7007       41.52556 75.45601 18.69278 88.89891 17.96550 -13.44290      25.92642 
1 1 1 -31 13 7  o 70.09460 14.17167 92.27338       28.38492 81.11882      41.71668 101.8898       38.73377 64.90070 20.95783 75.28850 19.08176 -10.38779      28.34333 
1 1 1 -31 13 8  f 64.88629 14.62350 76.17009       28.69679 85.36755      42.92944 68.74028       38.58422 67.91997 21.17983 61.85261 20.16932 6.067356       29.24700 
1 1 1 -31 13 9  o 74.53321 15.07370 95.98676       32.10659 131.8521      49.85718 70.57537       41.96666 85.95419 21.57474 63.11223 21.05697 22.84196       30.14740 
1 1 1 -31 13 10 o 120.1759 10.51499 219.6115       33.55716 208.5522      50.78218 228.1840       44.70967 116.2142 16.22815 124.1377 13.37564 -7.923492      21.02999 
1 1 1 -31 13 11 o 74.28820 14.95322 95.45068       31.37008 88.27882      48.18496 100.7266       41.32818 70.84849 22.48706 77.72791 19.71615 -6.879425      29.90643 
1 1 1 -31 13 12 o 49.50957 14.05662 28.11525       29.39638 10.11642      43.92117 42.72066       39.56478 45.14151 19.56409 53.87764 20.18913 -8.736137      28.11324 
1 1 1 -31 13 13 o 50.12852 15.68415 15.66491       36.68187 -30.73318     87.63351 25.52135       40.39059 51.85835 24.40447 48.39869 19.70766 3.459660       31.36829 
1 1 1 -31 13 14 o 36.62511 11.85181 -21.29154      27.15730 3.742747      38.26065 -46.71049      38.55348 41.50726 18.12130 31.74296 15.28005 9.764301       23.70362 
1 1 1 -31 13 15 o 52.74068 14.09147 38.96103       27.70420 47.32430      36.89431 28.14857       41.95015 55.66666 19.69674 49.81470 20.15729 5.851963       28.18294 
1 1 1 -31 13 16 o 60.02001 14.41897 56.07198       27.05161 51.29195      33.88631 64.47064       44.91731 57.17760 18.91411 62.86242 21.76886 -5.684814      28.83794 
1 1 1 -31 13 17 o 90.12061 12.86521 131.3311       28.91601 139.8023      35.68501 115.1332       49.34490 97.89231 13.53798 82.34890 21.88099 15.54341       25.73042 
1 1 1 -31 13 18 o 41.98870 12.91740 -3.468605      30.14651 27.81076      37.25043 -62.84231      51.32151 48.20406 19.16876 35.77333 17.32038 12.43073       25.83480 
1 1 1 -31 13 19 o 68.39101 14.54992 82.65144       29.64927 94.74675      35.53765 54.95090       53.78045 77.12535 17.51208 59.65668 23.24064 17.46867       29.09983 
1 1 1 -31 13 20 o 46.52011 14.11403 15.70466       28.85271 12.16644      33.92067 24.96334       54.87147 41.56504 17.58112 51.47517 22.08454 -9.910133      28.22805 
1 1 1 -31 13 21 o 55.33091 15.20119 45.19915       30.16643 40.63850      35.67289 56.64683       56.51756 51.62626 19.20479 59.03556 23.56863 -7.409298      30.40237 
1 1 1 -31 13 22 o 47.00319 14.13904 22.89665       31.05898 30.86138      38.23243 7.439178       53.26176 47.97090 19.30215 46.03548 20.66585 1.935421       28.27809 
1 1 1 -31 13 23 o 62.78811 15.74563 72.37844       31.78069 65.85183      38.40367 86.55992       56.60952 60.35871 20.14351 65.21751 24.20617 -4.858799      31.49126 
1 1 1 -31 13 24 o 51.55935 15.16645 39.56994       33.09809 22.69374      40.51477 73.43232       57.38982 44.17316 18.96493 58.94554 23.67311 -14.77238      30.33290 
1 1 1 -31 13 25 o 59.00429 12.89811 53.30568       33.48975 137.3364      44.56607 -55.70305      50.75935 84.57122 19.90185 33.43735 16.41222 51.13387       25.79622 
1 1 1 -31 15 8  o 35.72029 12.02516 -22.12255      32.09497 -39.10569     46.87794 -7.137705      44.03373 33.87857 16.43856 37.56201 17.55540 -3.683441      24.05033 
1 1 1 -31 15 9  f 45.27107 13.92644 26.98792       31.74511 31.99577      45.14598 22.09018       44.64690 46.50830 19.99496 44.03385 19.39031 2.474453       27.85287 
1 1 1 -31 15 10 o 41.64369 13.09280 6.382900       30.71246 28.69894      41.30344 -21.21536      45.93233 46.20677 19.46442 37.08061 17.51634 9.126160       26.18560 
1 1 1 -31 15 11 o 61.54559 14.61277 70.21176       31.07033 36.66396      45.66522 99.12910       42.39677 49.90825 20.70317 73.18294 20.62793 -23.27469      29.22555 
1 1 1 -31 15 12 o 45.10032 13.16635 20.80666       27.46753 43.14966      37.52223 -4.990175      40.31819 51.53812 19.58290 38.66252 17.60459 12.87561       26.33271 
1 1 1 -31 15 13 o 44.76822 13.37368 20.48690       27.73265 23.50727      38.34571 17.17451       40.15672 45.41270 18.91591 44.12373 18.91058 1.288971       26.74737 
1 1 1 -31 15 14 o 65.03172 13.77463 74.42776       26.35250 83.45721      35.38946 63.18943       39.48159 70.05504 18.49031 60.00840 20.42228 10.04664       27.54925 
1 1 1 -31 15 15 o 64.34792 13.49210 74.53056       26.68063 92.78473      34.03769 45.44149       42.96787 75.14986 17.19346 53.54597 20.79741 21.60389       26.98421 
1 1 1 -31 15 16 o 61.41828 12.79468 67.70564       27.68720 102.0322      34.43069 4.887347       46.57726 79.35428 16.64490 43.48228 19.43612 35.87200       25.58936 
1 1 1 -31 15 17 f 90.72826 13.13086 137.6806       29.55773 138.8798      35.99710 135.1987       51.78624 95.66814 13.97387 85.78837 22.23532 9.879776       26.26173 
1 1 1 -31 15 18 o 48.05112 14.20177 28.98097       28.57245 31.33045      33.07636 22.07297       56.71636 46.74542 18.22188 49.35683 21.78817 -2.611408      28.40354 
1 1 1 -31 15 19 o 61.34368 15.74652 59.35096       30.66460 41.05672      35.83819 109.3495       59.24720 50.50697 19.15105 72.18040 25.00098 -21.67343      31.49305 
1 1 1 -31 15 20 o 38.93797 12.63695 -7.654157      30.88471 13.68107      36.42352 -62.24243      58.26167 41.24180 17.84506 36.63414 17.89759 4.607658       25.27390 
1 1 1 -31 15 21 o 47.52556 14.17284 33.01091       31.58198 44.27340      38.88479 11.18164       54.13547 50.41324 19.72794 44.63788 20.35401 5.775356       28.34567 
1 1 1 -31 15 22 o 48.76397 14.80642 27.92338       33.71312 0.3362527     41.35340 82.59335       58.21466 38.33935 17.59712 59.18858 23.81726 -20.84924      29.61284 
1 1 1 -31 15 23 f 49.55806 16.03510 20.29517       38.43776 -5.046081     43.20430 116.5067       84.18341 37.61354 17.51549 61.50258 26.86457 -23.88905      32.07020 
1 1 1 -31 17 12 f 45.80376 13.73246 33.67328       29.50834 39.90182      37.55553 23.62381       47.70373 47.35956 19.10433 44.24796 19.73187 3.111599       27.46493 
1 1 1 -31 17 13 o 39.00116 12.40445 8.495397       27.36339 17.29215      34.49725 -6.429890      44.93499 40.06700 17.35173 37.93533 17.73131 2.131668       24.80890 
1 1 1 -31 17 14 o 40.35796 12.00513 4.488798       27.29729 49.35801      34.83966 -66.85064      43.93033 51.01634 18.97892 29.69957 14.70692 21.31677       24.01027 
1 1 1 -31 17 15 o 48.40714 13.65207 42.20068       26.24356 44.29995      31.70906 37.63597       46.75789 49.22220 18.14632 47.59208 20.40165 1.630119       27.30414 
1 1 1 -31 17 16 o 45.25989 13.77084 29.21525       28.47982 26.03773      33.98344 36.71229       52.19970 42.65195 17.79022 47.86782 21.02505 -5.215870      27.54169 
1 1 1 -31 17 17 o 79.76503 13.25686 137.9487       30.61227 168.8451      37.15580 72.65644       54.01368 102.9692 13.40096 56.56090 22.87774 46.40826       26.51371 
1 1 1 -31 17 18 o 43.36503 13.72885 19.95966       31.48540 17.83615      38.34961 24.35113       55.14909 41.13293 18.04512 45.59712 20.69537 -4.464184      27.45769 
1 1 1 -31 17 19 o 44.33994 13.86712 22.83714       34.30884 43.50475      43.05702 -13.10758      56.78276 48.65516 20.13669 40.02472 19.07096 8.630440       27.73423 
1 1 1 -30 0  1  f 167.6362 9.231694 405.6078       40.56356 353.6737      58.80486 452.7512       56.02698 156.1994 14.25433 179.0729 11.73502 -0.000000      0.000000 
1 1 1 -30 0  2  o 138.5531 12.54723 283.9695       43.86782 304.2538      69.60255 270.6020       56.50283 141.5769 19.26635 135.5293 16.07918 -0.000000      0.000000 
1 1 1 -30 0  3  o 33.00510 15.77913 -18.40151      41.23987 -37.05810     64.84181 -5.728528      53.44146 32.34499 22.30714 33.66522 22.32297 -0.000000      0.000000 
1 1 1 -30 0  4  o 68.83493 20.70029 91.02598       42.00879 151.5786      67.16919 52.12498       53.83738 88.60850 31.06652 49.06137 27.36566 -0.000000      0.000000 
1 1 1 -30 0  5  o 92.99170 20.14689 158.0909       44.88290 131.0748      64.01689 184.2097       62.94471 80.75672 31.08308 105.2267 25.64042 -0.000000      0.000000 
1 1 1 -30 0  6  f 64.08302 21.08759 87.21593       41.60964 68.09482      58.77392 106.4297       58.91618 55.91265 29.41874 72.25339 30.22057 -0.000000      0.000000 
1 1 1 -30 0  7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  9  o 23.07514 12.00477 -200.8239      50.59370 -220.6814     69.73515 -178.7554      73.51500 21.57596 15.92808 24.57432 17.96537 -0.000000      0.000000 
1 1 1 -30 0  10 o 133.5378 15.81414 284.7039       48.27212 309.9797      61.79738 245.1412       77.31435 145.8989 16.24554 121.1767 27.13725 -0.000000      0.000000 
1 1 1 -30 0  11 o 47.70182 19.92817 38.92004       42.82848 23.28512      54.12754 65.09852       70.03941 40.67110 25.12098 54.73254 30.94293 -0.000000      0.000000 
1 1 1 -30 0  12 o 289.8088 7.688519 1137.483       58.99736 1107.094      76.89895 1180.961       91.98210 285.3529 10.03633 294.2648 11.65013 -0.000000      0.000000 
1 1 1 -30 0  13 f 70.08707 21.98917 97.44328       43.64934 85.63871      57.91774 112.9628       66.40873 64.76572 30.02431 75.40842 32.13465 -0.000000      0.000000 
1 1 1 -30 0  14 o 65.72621 18.94212 77.11725       43.71755 144.1484      60.23222 2.490431       63.55327 91.75724 27.91979 39.69518 25.60665 -0.000000      0.000000 
1 1 1 -30 0  15 f 143.5827 13.50337 302.8409       47.35604 358.4640      65.19883 240.7283       68.89722 160.0681 15.45802 127.0973 22.14529 -0.000000      0.000000 
1 1 1 -30 0  16 o 34.01901 16.30922 -32.71493      45.37031 -9.226268     59.11848 -66.37283      70.76812 36.08368 23.77738 31.95434 22.32932 -0.000000      0.000000 
1 1 1 -30 0  17 o 196.5282 9.997736 521.3076       51.22974 477.0509      65.15797 592.9584       82.90643 186.0246 13.15937 207.0318 15.05490 -0.000000      0.000000 
1 1 1 -30 0  18 o 28.54165 14.52007 -94.71237      45.76715 -102.6123     55.50516 -77.93317      80.89220 23.43340 16.93517 33.64989 23.59090 -0.000000      0.000000 
1 1 1 -30 0  19 o 38.84769 18.32451 -1.898789      46.69691 -5.924555     55.16496 8.278448       87.71098 33.88515 22.53820 43.81023 28.89948 -0.000000      0.000000 
1 1 1 -30 0  20 o ?        ?        -384.8052      57.53666 -384.2575     69.73849 -385.9727      101.8199 ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -30 0  21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  23 o 29.00101 14.73222 -107.0782      55.54036 -53.36484     64.70404 -257.4496      108.2611 29.80559 20.93889 28.19643 20.72959 -0.000000      0.000000 
1 1 1 -30 0  24 o 30.94003 15.27054 -45.70628      40.91280 -51.74632     49.39462 -32.50713      73.01844 25.84959 18.18715 36.03047 24.53540 -0.000000      0.000000 
1 1 1 -30 0  25 o 29.76740 14.85694 -51.01622      40.06675 -57.28644     47.55461 -35.67414      74.38631 24.25916 17.21712 35.27565 24.21747 -0.000000      0.000000 
1 1 1 -30 0  26 o 86.98631 17.98793 135.8228       35.17764 141.0732      42.59029 124.5518       62.40085 95.58146 18.55783 78.39115 30.81996 -0.000000      0.000000 
1 1 1 -30 0  27 o 57.94371 19.00034 77.63841       40.40424 106.3691      48.66750 13.91360       72.48038 74.11691 26.64573 41.77052 27.09348 -0.000000      0.000000 
1 1 1 -30 0  28 o 77.84093 16.65873 150.5057       45.31852 200.8594      51.73259 -15.62449      93.96643 114.5619 18.12890 41.11993 27.95346 -0.000000      0.000000 
1 1 1 -30 0  29 o 45.24610 19.65932 43.78505       44.61825 50.99910      51.56534 22.29191       89.00583 46.30560 26.40173 44.18660 29.13597 -0.000000      0.000000 
1 1 1 -30 0  30 o 151.9270 12.97585 351.8388       47.78142 337.4611      58.33366 381.1536       83.29472 150.6709 14.69945 153.1832 21.38731 -0.000000      0.000000 
1 1 1 -30 0  31 o 47.08922 20.26565 43.67843       48.34211 -4.624856     59.93422 133.6141       81.78101 32.25097 22.03325 61.92748 34.01943 -0.000000      0.000000 
1 1 1 -30 2  1  o 49.84118 13.46572 35.33477       25.20774 32.33495      35.80353 38.28339       35.49671 48.75479 18.97120 50.92756 19.11532 -2.172771      26.93143 
1 1 1 -30 2  2  o 50.23631 13.76834 30.35405       26.75574 47.32878      40.57081 17.28940       35.59270 56.11536 20.55031 44.35726 18.32903 11.75810       27.53668 
1 1 1 -30 2  3  o 52.68845 14.49649 32.69885       30.15383 17.28434      42.75237 47.95799       42.53636 47.72462 19.93402 57.65229 21.05298 -9.927670      28.99299 
1 1 1 -30 2  4  o 67.55461 14.98622 71.12135       30.44987 64.70040      43.74604 77.15617       42.41027 64.96455 21.49035 70.14468 20.89286 -5.180130      29.97243 
1 1 1 -30 2  5  o 109.8839 10.68550 174.0165       31.54991 189.9994      45.56334 159.2941       43.72975 114.9098 14.72567 104.8581 15.48787 10.05170       21.37100 
1 1 1 -30 2  6  o 47.16822 14.15525 4.492558       31.60731 23.22081      46.79754 -11.21705      42.86048 52.47323 21.27010 41.86321 18.68335 10.61002       28.31050 
1 1 1 -30 2  7  o 49.00383 13.75279 5.414298       33.00493 -64.09981     48.60643 64.88645       44.95874 34.62745 16.78745 63.38021 21.78851 -28.75275      27.50559 
1 1 1 -30 2  8  o 192.9752 11.73597 505.9361       60.98229 0.000000      0.000000 505.9361       60.98229 ?        ?        192.9752 11.73597 ?              ?        
1 1 1 -30 2  9  f 238.1567 7.177913 767.7180       46.00475 794.4029      66.41159 743.0993       63.78872 242.1260 10.18636 234.1875 10.11572 7.938461       14.35583 
1 1 1 -30 2  10 o 29.99873 10.61069 -131.3851      35.72049 -118.5245     51.07267 -143.7002      49.97792 31.26683 15.54688 28.73063 14.44445 2.536203       21.22139 
1 1 1 -30 2  11 o 96.40685 18.37369 146.6607       45.95531 146.6607      45.95531 0.000000       0.000000 96.40685 18.37369 ?        ?        ?              ?        
1 1 1 -30 2  12 o 119.6823 9.978416 199.6934       31.59938 247.3015      45.53032 155.4512       43.89128 133.8668 12.63119 105.4977 15.45083 28.36910       19.95683 
1 1 1 -30 2  13 o 121.9394 9.784332 203.0521       31.83583 244.6542      47.07434 167.9873       43.21780 133.5017 13.09526 110.3770 14.54121 23.12469       19.56866 
1 1 1 -30 2  14 o 132.0295 9.617403 244.7645       33.36337 196.9415      49.23410 285.3727       45.36848 119.4925 15.30178 144.5665 11.65475 -25.07399      19.23481 
1 1 1 -30 2  15 o 145.5586 8.389926 289.3596       32.87926 295.9686      46.71972 282.8744       46.28001 147.2191 11.78563 143.8982 11.94414 3.320908       16.77985 
1 1 1 -30 2  16 f 87.29129 14.23616 110.9733       33.30609 78.10577      46.36435 146.0187       47.87585 73.61817 21.82639 100.9644 18.28337 -27.34623      28.47232 
1 1 1 -30 2  17 o 49.77264 14.37601 10.10001       31.76413 -14.48024     44.86623 34.80123       44.97649 42.91230 19.13615 56.63298 21.45894 -13.72068      28.75202 
1 1 1 -30 2  18 o 122.8064 10.31712 211.4707       34.04930 227.2974      48.33413 195.8791       47.97386 127.5383 14.07440 118.0744 15.08918 9.463921       20.63424 
1 1 1 -30 2  19 o 37.20463 12.55225 -47.22569      35.09573 -28.79635     50.66521 -64.22588      48.66113 40.08543 18.76546 34.32383 16.67614 5.761597       25.10450 
1 1 1 -30 2  20 o ?        ?        -318.0409      60.11397 -318.0409     60.11397 0.000000       0.000000 ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  21 o 453.2427 9.499273 2780.702       115.9323 0.000000      0.000000 2780.702       115.9323 ?        ?        453.2427 9.499273 ?              ?        
1 1 1 -30 2  22 f 318.8228 10.64317 1381.332       91.37003 1381.332      91.37003 0.000000       0.000000 318.8228 10.64317 ?        ?        ?              ?        
1 1 1 -30 2  23 o 85.08385 15.63333 122.8428       37.76002 78.82823      51.35778 174.6307       55.70864 67.53069 23.28341 102.6370 20.86833 -35.10633      31.26667 
1 1 1 -30 2  24 o 65.16412 14.64722 62.61475       29.96802 81.27741      40.60747 40.29359       44.40966 73.25663 20.01703 57.07161 21.38886 16.18502       29.29445 
1 1 1 -30 2  25 o 146.7824 7.434941 300.9172       29.33690 308.9533      40.71425 292.2393       42.30899 148.9985 10.14802 144.5663 10.86881 4.432159       14.86988 
1 1 1 -30 2  26 o 104.3105 9.874576 154.9959       27.69625 154.5841      40.18589 155.3685       38.22449 104.0199 14.34742 104.6012 13.57131 -0.5813141     19.74915 
1 1 1 -30 2  27 o 120.4920 9.063640 209.2490       29.15925 180.2726      41.29925 238.0526       41.17584 111.5759 13.74638 129.4081 11.81674 -17.83215      18.12728 
1 1 1 -30 2  28 o 82.39371 14.50314 112.7370       32.05096 108.5965      44.65211 117.1376       46.03326 80.80374 20.49223 83.98367 20.52884 -3.179924      29.00628 
1 1 1 -30 2  29 o 121.7098 10.32056 223.1999       33.56547 189.7409      46.06924 261.0577       49.00407 111.2903 15.37341 132.1293 13.77367 -20.83897      20.64112 
1 1 1 -30 2  30 o 55.06007 15.23012 53.84131       32.75729 52.84818      45.74856 54.88620       46.92548 54.72551 21.40307 55.39462 21.67336 -0.6691093     30.46024 
1 1 1 -30 2  31 o 37.76479 12.60625 -15.19916      34.06901 4.112287      46.50834 -37.56183      50.04784 40.33091 18.56672 35.19867 17.05716 5.132240       25.21249 
1 1 1 -30 4  1  o 64.66640 12.83141 69.52892       26.57294 25.34130      38.31325 110.4878       36.88695 46.61903 19.11248 82.71378 17.12581 -36.09474      25.66282 
1 1 1 -30 4  2  o 43.87249 13.11465 13.62891       26.72320 6.729412      40.19767 19.09303       35.77278 42.94069 18.66335 44.80429 18.42974 -1.863602      26.22929 
1 1 1 -30 4  3  o 109.1905 11.10874 183.6519       30.38055 133.6799      44.40460 227.6292       41.65617 92.20409 18.52813 126.1770 12.26071 -33.97290      22.21749 
1 1 1 -30 4  4  o 164.2612 7.457689 375.5029       32.92390 372.6526      47.92463 378.0504       45.30831 163.4978 10.88588 165.0245 10.19638 -1.526703      14.91538 
1 1 1 -30 4  5  o 102.0937 11.83226 157.0158       31.13865 133.0553      45.80658 177.6005       42.45731 92.89285 18.95493 111.2945 14.16758 -18.40162      23.66452 
1 1 1 -30 4  6  o 44.04842 13.10078 -21.70589      30.51091 43.31816      45.19691 -76.14868      41.35632 57.86909 21.59921 30.22776 14.83228 27.64133       26.20157 
1 1 1 -30 4  7  o 128.7340 10.37940 244.8890       34.56182 184.8434      51.42602 294.3510       46.67434 112.5770 16.96485 144.8911 11.96336 -32.31409      20.75880 
1 1 1 -30 4  8  o 287.9330 6.360453 1119.192       49.01084 1271.726      74.36007 1002.034       65.16932 305.0421 9.053086 270.8238 8.936613 34.21826       12.72091 
1 1 1 -30 4  9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  10 o 82.93781 17.36203 96.32831       41.95377 120.5221      61.40834 75.15139       57.45223 91.26845 24.48163 74.60716 24.62540 16.66129       34.72406 
1 1 1 -30 4  11 o 107.4746 13.91650 169.3006       39.28106 162.7932      57.35130 175.0509       53.91172 104.2084 21.16127 110.7409 18.07973 -6.532486      27.83300 
1 1 1 -30 4  12 o 99.81993 13.84963 169.6241       35.78890 104.9380      53.22628 223.0021       48.35059 77.02962 23.51108 122.6103 14.64507 -45.58064      27.69926 
1 1 1 -30 4  13 o 413.7124 5.751987 2347.100       63.77748 2424.718      95.51893 2284.660       85.67229 419.5135 8.455905 407.9112 7.799941 11.60229       11.50397 
1 1 1 -30 4  14 o 218.6387 6.620339 656.8193       38.83308 624.2720      56.45722 686.0449       53.49866 213.2902 9.830265 223.9873 8.870257 -10.69708      13.24068 
1 1 1 -30 4  15 o 50.89624 14.50922 14.28294       32.18887 -13.55295     45.03173 43.36476       46.02852 42.70658 19.09861 59.08591 21.84750 -16.37933      29.01845 
1 1 1 -30 4  16 o 191.2666 6.995941 496.0988       35.76427 426.3256      47.68281 585.8322       54.07472 176.0345 10.05960 206.4988 9.725081 -30.46439      13.99188 
1 1 1 -30 4  17 o 120.1399 11.14551 212.8121       35.40876 166.1811      48.80291 264.6454       51.45323 105.2166 17.22574 135.0632 14.14791 -29.84654      22.29102 
1 1 1 -30 4  18 o 53.43074 15.46416 28.14969       36.35358 4.642750      50.58867 53.25119       52.27633 46.83977 20.63234 60.02172 23.04057 -13.18195      30.92832 
1 1 1 -30 4  19 o ?        ?        -384.6617      41.76162 -348.2388     56.63569 -428.0642      61.82454 ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  22 o 37.60927 18.28032 -80.90209      58.64329 0.000000      0.000000 -80.90209      58.64329 ?        ?        37.60927 18.28032 ?              ?        
1 1 1 -30 4  23 o 88.12669 13.26516 119.6944       30.93764 148.0920      41.37664 83.68856       46.59087 102.3087 15.01963 73.94472 21.86935 28.36395       26.53032 
1 1 1 -30 4  24 o 65.45563 14.48366 65.62358       28.55415 56.42559      40.46765 74.74381       40.29623 61.52902 20.67702 69.38224 20.28711 -7.853222      28.96733 
1 1 1 -30 4  25 o 42.71990 12.70936 -4.069555      27.25133 34.13609      39.22059 -39.73088      37.89214 52.40552 19.99509 33.03428 15.69419 19.37123       25.41872 
1 1 1 -30 4  26 o 41.53345 12.94227 -6.587936      28.90288 12.15017      40.35064 -26.33240      41.42001 45.74129 19.25189 37.32562 17.30243 8.415668       25.88454 
1 1 1 -30 4  27 o 166.0575 7.629704 392.7369       33.70658 455.5043      47.40512 328.5561       47.93591 180.2981 9.764516 151.8170 11.72620 28.48112       15.25941 
1 1 1 -30 4  28 o 53.48661 14.62223 38.65660       31.37791 59.52570      42.47036 13.57332       46.56141 60.25008 21.15038 46.72314 20.19655 13.52694       29.24447 
1 1 1 -30 4  29 o 96.89187 13.42591 157.6120       33.76938 149.6207      47.56854 165.7312       47.94794 93.86501 19.45942 99.91872 18.50273 -6.053711      26.85182 
1 1 1 -30 4  30 o 46.67050 14.01356 11.50701       33.42032 68.82873      50.10316 -34.44046      44.85764 58.62412 22.54410 34.71688 16.65181 23.90725       28.02711 
1 1 1 -30 4  31 f 54.53056 15.23713 63.59096       34.33471 42.78279      52.09887 79.56715       45.65076 48.95424 21.26210 60.10689 21.83125 -11.15265      30.47426 
1 1 1 -30 6  1  o 72.78510 14.03240 93.72731       28.25731 94.90550      40.14410 92.57027       39.78210 73.24330 19.85651 72.32690 19.83311 0.9164047      28.06480 
1 1 1 -30 6  2  o 67.41804 13.79404 77.93982       27.65243 53.21128      41.26598 98.09369       37.25394 57.30701 20.76520 77.52906 18.16339 -20.22205      27.58808 
1 1 1 -30 6  3  o 71.32558 13.86063 84.09718       28.10544 63.87992      41.03314 101.9646       38.57484 62.66330 20.81737 79.98787 18.30588 -17.32457      27.72126 
1 1 1 -30 6  4  o 50.29601 14.08750 28.82320       28.37825 34.18949      40.91875 23.85022       39.39067 52.23006 20.29291 48.36195 19.54556 3.868114       28.17501 
1 1 1 -30 6  5  o 55.55367 14.48966 39.04092       30.06330 14.16433      44.40713 60.08915       40.84745 48.09425 20.21690 63.01310 20.76240 -14.91885      28.97931 
1 1 1 -30 6  6  o 44.69695 12.99702 -6.060842      29.86541 -65.96793     43.90421 45.53419       40.74469 32.53861 15.81602 56.85530 20.62871 -24.31669      25.99404 
1 1 1 -30 6  7  f 85.59743 14.17198 111.6409       32.08647 122.9215      46.77919 101.6183       44.09400 89.81157 19.86996 81.38329 20.21297 8.428276       28.34395 
1 1 1 -30 6  8  o 194.5644 6.998237 523.1179       36.63676 526.1694      52.89327 520.3037       50.79483 195.0193 10.07255 194.1094 9.718284 0.9099426      13.99647 
1 1 1 -30 6  9  o 28.82520 10.28111 -157.0622      37.44601 -163.0309     53.70304 -151.4142      52.24054 28.77006 14.52780 28.88033 14.55157 -0.1102791     20.56222 
1 1 1 -30 6  10 o 68.51655 25.11410 54.98394       60.61081 0.000000      0.000000 54.98394       60.61081 ?        ?        68.51655 25.11410 ?              ?        
1 1 1 -30 6  11 o 314.6788 8.905102 1339.467       75.45531 0.000000      0.000000 1339.467       75.45531 ?        ?        314.6788 8.905102 ?              ?        
1 1 1 -30 6  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  13 o 44.96001 14.52961 -52.67254      40.54889 1.095705      60.92565 -95.42797      54.32915 54.19123 23.26100 35.72878 17.41734 18.46245       29.05921 
1 1 1 -30 6  14 f 177.7467 8.841220 434.8157       42.05091 499.7728      60.46469 373.9680       58.52087 190.8265 11.76738 164.6670 13.19839 26.15956       17.68244 
1 1 1 -30 6  15 o ?        ?        -252.6722      37.70076 -219.2326     53.71241 -285.1447      52.93004 ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  16 o 29.83359 15.10054 -226.3143      41.25455 -202.9086     60.11435 -247.1508      56.71907 29.83359 15.10054 ?        ?        ?              ?        
1 1 1 -30 6  17 o ?        ?        -324.2885      64.18909 0.000000      0.000000 -324.2885      64.18909 ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  20 o 236.9343 10.50443 763.1461       67.01682 763.1461      67.01682 0.000000       0.000000 236.9343 10.50443 ?        ?        ?              ?        
1 1 1 -30 6  21 o ?        ?        -202.9567      51.44244 0.000000      0.000000 -202.9567      51.44244 ?        ?        ?        ?        ?              ?        
1 1 1 -30 6  22 o 36.16785 11.82827 -38.73314      29.00693 -3.202121     38.66861 -84.45528      43.86499 41.54519 18.17560 30.79050 15.14197 10.75470       23.65653 
1 1 1 -30 6  23 o 108.8852 9.898451 167.0899       28.86482 193.1646      42.74260 145.2284       39.13729 116.7983 13.59068 100.9721 14.39482 15.82622       19.79690 
1 1 1 -30 6  24 o 55.61130 14.12271 42.31259       27.26248 55.49577      39.40910 30.21346       37.75406 60.69762 20.40476 50.52497 19.53072 10.17265       28.24541 
1 1 1 -30 6  25 o 73.16103 12.55138 78.39861       27.49736 130.3175      39.99180 31.84464       37.86925 94.96291 15.63988 51.35914 19.63523 43.60378       25.10275 
1 1 1 -30 6  26 o 46.35670 13.22097 3.126233       29.54504 -46.85393     41.65732 53.71412       41.90982 33.56736 16.08624 59.14604 20.98592 -25.57868      26.44194 
1 1 1 -30 6  27 o 54.94003 14.46684 34.69585       31.13707 -0.6231508    41.81511 78.65347       46.64941 41.86463 18.58296 68.01542 22.17727 -26.15079      28.93367 
1 1 1 -30 6  28 o 51.35770 14.96297 32.63875       33.36442 23.76188      45.08017 43.39087       49.61380 48.16359 20.31425 54.55182 21.97484 -6.388237      29.92595 
1 1 1 -30 6  29 o 63.69428 15.32504 76.37278       31.97311 60.53432      44.98092 92.54790       45.45644 57.66082 21.54240 69.72774 21.80259 -12.06692      30.65009 
1 1 1 -30 6  30 o 51.10599 14.82338 47.34879       34.00088 72.13855      47.48400 21.26412       48.70839 57.82594 22.01578 44.38604 19.85537 13.43989       29.64676 
1 1 1 -30 8  1  o 87.48526 13.01931 136.3658       29.94065 115.3501      45.38890 152.5549       39.83717 77.48645 21.15853 97.48408 15.17649 -19.99763      26.03861 
1 1 1 -30 8  2  o 78.77119 13.22257 107.2773       27.91683 86.44917      41.11441 125.0947       38.02684 69.56979 20.53495 87.97260 16.66316 -18.40282      26.44513 
1 1 1 -30 8  3  o 129.8388 8.005365 242.2923       27.97504 239.3263      39.99251 245.1341       39.14641 128.9149 11.52105 130.7627 11.11795 -1.847778      16.01073 
1 1 1 -30 8  4  o 64.31432 14.15387 67.10548       27.23107 75.70566      39.14286 59.03941       37.90793 67.94105 20.03155 60.68758 20.00164 7.253464       28.30775 
1 1 1 -30 8  5  o 58.26163 14.66002 50.28711       29.23641 61.76099      41.66889 39.16156       41.03152 62.61113 20.98196 53.91215 20.47981 8.698978       29.32005 
1 1 1 -30 8  6  o 57.63681 14.40456 45.93768       29.23657 22.35618      43.63122 65.15478       39.38723 50.14571 20.45826 65.12791 20.28363 -14.98220      28.80913 
1 1 1 -30 8  7  f 224.5032 5.900208 692.7676       35.63330 736.2741      51.39660 652.5004       49.44618 231.3351 8.251056 217.6713 8.436226 13.66379       11.80042 
1 1 1 -30 8  8  o 195.2135 6.608585 527.8104       34.63816 504.1650      50.15448 549.3735       47.89510 190.7955 9.762439 199.6316 8.910016 -8.836105      13.21717 
1 1 1 -30 8  9  o 72.66774 14.86134 79.30334       31.20503 98.22645      44.78478 61.44692       43.50422 80.38023 20.59784 64.95525 21.42816 15.42499       29.72267 
1 1 1 -30 8  10 o 209.2124 6.868646 607.7141       38.53296 582.7341      56.37334 629.6198       52.79059 204.8574 10.21971 213.5674 9.179905 -8.709976      13.73729 
1 1 1 -30 8  11 o 35.89184 12.19385 -64.25690      35.68927 -115.4258     53.98802 -24.53979      47.56452 31.91143 15.88638 39.87226 18.50360 -7.960829      24.38771 
1 1 1 -30 8  12 o 154.5379 13.49812 330.2116       56.16834 0.000000      0.000000 330.2116       56.16834 ?        ?        154.5379 13.49812 ?              ?        
1 1 1 -30 8  13 o 105.7507 21.43645 161.2049       58.95092 0.000000      0.000000 161.2049       58.95092 ?        ?        105.7507 21.43645 ?              ?        
1 1 1 -30 8  14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 8  15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 8  16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 8  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 8  18 o ?        ?        -306.0963      71.19765 0.000000      0.000000 -306.0963      71.19765 ?        ?        ?        ?        ?              ?        
1 1 1 -30 8  19 o 94.65874 14.29721 169.1871       36.01168 216.3380      44.79407 83.02376       60.55309 121.1746 13.72858 68.14288 25.08321 53.03172       28.59443 
1 1 1 -30 8  20 o 39.96033 12.89546 -20.98849      29.62218 -27.43749     37.29942 -9.974233      48.74537 35.22844 16.36132 44.69222 19.93687 -9.463779      25.79093 
1 1 1 -30 8  21 o 81.87151 12.64405 111.0295       28.94098 158.2721      37.40911 40.60390       45.67474 106.3600 13.06218 57.38302 21.65335 48.97697       25.28810 
1 1 1 -30 8  22 o 114.6413 8.770576 186.3049       26.78060 219.3148      38.24348 154.5422       37.51403 125.0797 11.35501 104.2030 13.36996 20.87667       17.54115 
1 1 1 -30 8  23 o 76.33054 12.24105 89.76620       26.14498 48.69778      37.34894 129.2284       36.61127 57.70671 19.85790 94.95438 14.31912 -37.24767      24.48211 
1 1 1 -30 8  24 o 44.89401 13.12182 11.62126       26.40901 28.05485      37.84072 -3.983386      36.87399 49.93140 19.48282 39.85662 17.58261 10.07478       26.24364 
1 1 1 -30 8  25 o 87.84486 12.64756 123.7889       29.60651 176.7206      41.63298 69.63487       42.11097 110.1960 14.03099 65.49370 21.04696 44.70232       25.29512 
1 1 1 -30 8  26 o 51.29914 14.38723 28.75945       32.20736 55.97858      41.81059 -10.96246      50.50848 59.32962 20.97069 43.26866 19.70280 16.06096       28.77447 
1 1 1 -30 8  27 o 58.92556 14.68875 57.77151       30.51419 76.51665      40.39030 32.84664       46.57460 66.66560 20.50384 51.18552 21.03876 15.48007       29.37749 
1 1 1 -30 8  28 o 55.89641 14.59544 51.73435       31.16116 79.26238      42.99314 21.26885       45.22888 65.43179 21.28827 46.36103 19.97292 19.07076       29.19089 
1 1 1 -30 8  29 o 44.59239 13.63374 22.32738       31.43420 -5.921625     49.10022 41.94689       40.91908 39.95586 18.62834 49.22892 19.91231 -9.273060      27.26748 
1 1 1 -30 8  30 o 42.75719 13.53781 14.53353       33.48089 -15.69139     49.60481 39.82432       45.37561 37.77159 17.94828 47.74278 20.27186 -9.971188      27.07562 
1 1 1 -30 10 1  o 90.16829 12.33943 145.2900       29.09157 135.7543      43.24560 153.1721       39.31771 84.50755 19.41318 95.82904 15.23729 -11.32150      24.67887 
1 1 1 -30 10 2  o 124.5718 11.57120 232.8171       38.81339 0.000000      0.000000 232.8171       38.81339 ?        ?        124.5718 11.57120 ?              ?        
1 1 1 -30 10 3  o 38.25134 12.22202 -4.023368      26.94855 3.854774      38.22267 -11.81012      38.00032 40.03742 17.76958 36.46525 16.78551 3.572170       24.44404 
1 1 1 -30 10 4  o 87.59740 12.01147 121.0496       27.55979 86.78176      37.77146 160.0636       40.30240 71.97370 19.15310 103.2211 14.50037 -31.24740      24.02295 
1 1 1 -30 10 5  o 59.80826 13.86257 56.14943       27.61002 81.50835      38.12585 28.18422       40.03716 70.49454 19.45107 49.12198 19.75699 21.37255       27.72513 
1 1 1 -30 10 6  o 60.10735 13.72012 55.03902       27.55134 84.25894      38.17656 23.27932       39.80115 72.30183 19.26272 47.91288 19.54264 24.38894       27.44025 
1 1 1 -30 10 7  f 60.11938 14.64897 53.24409       29.06160 66.54112      41.94626 40.96930       40.30167 65.26433 21.00917 54.97442 20.42018 10.28991       29.29794 
1 1 1 -30 10 8  o 58.51059 14.39447 43.50103       30.86108 4.838698      44.31055 79.92194       43.00694 45.62449 19.71202 71.39670 20.98187 -25.77221      28.78893 
1 1 1 -30 10 9  o 156.1929 8.491245 344.8166       35.41837 294.2733      49.82476 396.4470       50.35777 144.0838 12.84241 168.3020 11.11204 -24.21819      16.98249 
1 1 1 -30 10 10 o 175.9955 7.607543 431.9688       36.02641 452.2053      52.07324 413.3900       49.89464 179.9505 10.74677 172.0405 10.77060 7.910019       15.21509 
1 1 1 -30 10 11 o 132.4621 8.942133 244.0308       31.73429 217.1769      42.57583 277.5988       47.60168 124.3117 12.71943 140.6125 12.57231 -16.30078      17.88427 
1 1 1 -30 10 12 o 96.20464 11.72054 128.0947       29.06906 97.21870      37.24888 176.1906       46.48970 80.90460 17.59923 111.5047 15.48390 -30.60006      23.44107 
1 1 1 -30 10 13 o 46.08133 13.61423 7.185598       28.41410 -7.211866     37.71574 26.08277       43.20938 40.10341 17.73218 52.05926 20.66299 -11.95585      27.22847 
1 1 1 -30 10 14 o 119.3960 10.58585 199.2643       29.90437 101.9094      39.05684 337.2023       46.49008 82.65144 18.05464 156.1405 11.05762 -73.48902      21.17170 
1 1 1 -30 10 15 o 123.2131 9.969824 211.4754       32.89125 185.5686      44.13271 243.8441       49.33062 114.7430 14.28404 131.6831 13.91243 -16.94010      19.93965 
1 1 1 -30 10 16 o 74.33510 15.15804 75.46085       32.32727 46.67119      40.57761 125.4811       53.48613 58.51925 20.66186 90.15096 22.18450 -31.63171      30.31608 
1 1 1 -30 10 17 o 93.39014 13.86930 126.3989       32.04632 117.9051      38.88447 144.3829       56.58064 89.75651 16.70363 97.02377 22.14539 -7.267265      27.73859 
1 1 1 -30 10 18 o 44.77663 13.55865 5.933632       28.53202 18.32265      33.86470 -24.37703      52.96957 45.61616 18.23255 43.93711 20.07291 1.679047       27.11730 
1 1 1 -30 10 19 o 43.29721 13.18318 4.341358       26.50142 2.078609      32.57106 8.773625       45.58550 39.35569 16.95209 47.23874 20.19434 -7.883045      26.36635 
1 1 1 -30 10 20 o 37.13947 11.98367 -32.47470      27.44667 -64.03462     36.22671 10.05191       42.05244 28.51264 13.96840 45.76629 19.47606 -17.25365      23.96734 
1 1 1 -30 10 21 o 50.78078 13.27899 24.47391       26.21968 60.30730      39.02592 -5.008938      35.39924 62.78930 20.27011 38.77226 17.15952 24.01704       26.55799 
1 1 1 -30 10 22 o 44.51324 12.86827 0.5993203      27.28433 41.89289      39.52140 -37.00328      37.71378 55.55442 20.29220 33.47207 15.83021 22.08235       25.73653 
1 1 1 -30 10 23 o 58.16489 14.34608 50.69409       27.65190 53.90332      38.46379 47.26132       39.78085 59.43282 20.15767 56.89697 20.41835 2.535854       28.69217 
1 1 1 -30 10 24 o 59.46659 15.08650 54.89190       30.58688 54.19542      40.97443 55.76845       45.96765 58.96310 20.76866 59.97008 21.88774 -1.006973      30.17301 
1 1 1 -30 10 25 o 49.66440 14.83650 18.75452       32.98860 5.413988      41.26290 42.38457       54.91683 42.95642 18.78465 56.37239 22.97006 -13.41597      29.67300 
1 1 1 -30 10 26 o 60.95881 14.85815 56.80517       31.35568 24.59217      41.28267 100.7269       48.20500 47.29594 19.65746 74.62168 22.28548 -27.32574      29.71630 
1 1 1 -30 10 27 o 50.97026 20.40711 40.16820       42.50328 40.16820      42.50328 0.000000       0.000000 50.97026 20.40711 ?        ?        ?              ?        
1 1 1 -30 10 28 f 40.95319 13.01488 0.2220601      31.71768 36.97168      44.74230 -36.90208      44.96971 48.00969 20.24305 33.89669 16.36361 14.11300       26.02977 
1 1 1 -30 10 29 o 45.56422 20.16993 29.06800       48.93586 29.06800      48.93586 0.000000       0.000000 45.56422 20.16993 ?        ?        ?              ?        
1 1 1 -30 12 2  o 50.64327 13.95301 49.43458       27.38845 55.19234      40.01575 44.36011       37.56641 52.45951 20.15347 48.82703 19.30243 3.632484       27.90602 
1 1 1 -30 12 3  o 43.12741 12.82038 21.45797       26.66357 -3.248194     38.68021 43.82739       36.80556 36.88526 16.96259 49.36956 19.22807 -12.48430      25.64076 
1 1 1 -30 12 4  o 34.03334 11.28117 -20.76857      26.06092 -30.27086     36.00554 -10.31264      37.76910 31.79709 15.16047 36.26960 16.70987 -4.472509      22.56235 
1 1 1 -30 12 5  o 186.3285 5.979514 485.5996       29.92227 446.4870      40.70110 531.6027       44.14086 178.1805 8.483253 194.4764 8.429278 -16.29590      11.95903 
1 1 1 -30 12 6  o 130.8582 8.077456 249.3359       28.04724 278.2819      38.34097 216.0160       41.13592 140.0024 10.17055 121.7141 12.55154 18.28835       16.15491 
1 1 1 -30 12 7  o 64.22055 14.11720 67.85923       27.20842 59.06273      39.78584 75.58759       37.29213 60.48386 20.50123 67.95723 19.41341 -7.473366      28.23439 
1 1 1 -30 12 8  o 119.7337 14.45142 210.2471       46.59187 210.2471      46.59187 0.000000       0.000000 119.7337 14.45142 ?        ?        ?              ?        
1 1 1 -30 12 9  o 125.2627 9.780075 227.1189       32.75861 196.3475      45.91605 259.0189       46.75056 116.0539 14.69337 134.4714 12.91141 -18.41750      19.56015 
1 1 1 -30 12 10 o 95.49603 12.74943 142.0026       31.46110 82.68354      44.43987 201.6046       44.54573 72.20204 21.35985 118.7900 13.92652 -46.58798      25.49885 
1 1 1 -30 12 11 o 42.55605 13.12583 -7.761797      28.71729 -28.65876     37.59512 21.51127       44.49632 34.90683 16.28308 50.20527 20.59154 -15.29845      26.25167 
1 1 1 -30 12 12 o 38.89396 12.30865 -13.93644      27.77213 9.034030      34.85257 -53.89249      45.96647 42.48195 17.88682 35.30597 16.91370 7.175976       24.61730 
1 1 1 -30 12 13 f 181.0763 6.858364 429.9632       32.41148 317.0290      41.07515 616.3062       52.76219 151.0441 10.09931 211.1084 9.281837 -60.06425      13.71673 
1 1 1 -30 12 14 o 53.44547 14.29220 36.79417       27.57315 39.85493      34.14912 31.06093       46.73745 53.39897 18.94384 53.49197 21.40557 -0.9300232E-01 28.58439 
1 1 1 -30 12 15 o 107.4236 10.13276 163.1983       28.07237 157.3619      34.79231 174.0861       47.51998 105.6097 12.23477 109.2374 16.15553 -3.627701      20.26551 
1 1 1 -30 12 16 o 51.14137 13.60420 33.94743       24.62211 41.03024      28.54911 13.38295       48.64620 53.01212 17.35239 49.27062 20.95690 3.741501       27.20840 
1 1 1 -30 12 17 o 74.78395 12.77697 96.20079       25.95737 116.5051      30.79829 46.40739       48.23017 90.79575 12.59731 58.77215 22.23311 32.02360       25.55393 
1 1 1 -30 12 18 o 33.70856 11.32254 -39.37074      27.07776 -39.91557     34.77388 -38.53154      43.15730 31.22491 14.89077 36.19221 17.06062 -4.967306      22.64508 
1 1 1 -30 12 19 o 54.44376 14.27327 39.16006       27.24982 41.63574      33.94249 34.67130       45.70455 54.31839 18.91702 54.56913 21.37874 -0.2507439     28.54653 
1 1 1 -30 12 20 o 53.67126 12.96774 39.71189       25.33448 63.85080      32.27110 0.9388767      40.89966 64.44496 17.93785 42.89756 18.73185 21.54741       25.93547 
1 1 1 -30 12 21 o 51.10729 14.01237 32.99500       27.07374 33.58486      34.44481 32.04154       43.79292 50.17497 18.83053 52.03962 20.75565 -1.864643      28.02473 
1 1 1 -30 12 22 o 64.18384 12.67370 63.46779       29.28745 117.4761      38.53302 -10.41260      45.06790 87.00202 17.05796 41.36566 18.74878 45.63636       25.34740 
1 1 1 -30 12 23 o 112.4744 10.60138 182.5477       31.36435 161.8211      39.56312 217.6098       51.45708 104.8433 14.01415 120.1056 15.91104 -15.26236      21.20277 
1 1 1 -30 12 24 o 60.83440 14.02316 62.71734       30.66871 94.37467      38.82702 10.19951       50.00924 75.14386 19.13726 46.52494 20.50270 28.61892       28.04631 
1 1 1 -30 12 25 o 37.52481 12.42457 -23.11888      31.73628 -9.364743     42.76047 -39.98680      47.35398 39.09757 17.92626 35.95206 17.20839 3.145508       24.84914 
1 1 1 -30 12 26 o 38.45255 12.55370 -12.55652      31.19512 10.53270      43.03712 -38.11676      45.28152 42.34281 18.82114 34.56228 16.61767 7.780533       25.10741 
1 1 1 -30 12 27 o 39.36913 18.36654 -3.997445      47.85109 0.000000      0.000000 -3.997445      47.85109 ?        ?        39.36913 18.36654 ?              ?        
1 1 1 -30 14 4  o 112.3255 9.582441 201.3358       28.87438 193.8073      38.95637 210.5141       43.01349 110.6167 13.07899 114.0343 14.00831 -3.417610      19.16488 
1 1 1 -30 14 5  f 131.7229 8.202922 262.8253       29.07760 251.9457      40.88869 273.9568       41.35922 128.7143 11.79758 134.7316 11.40039 -6.017227      16.40584 
1 1 1 -30 14 6  o 39.39891 12.35572 -4.740413      27.65852 -36.96820     38.50311 29.62085       39.75714 31.93369 15.34614 46.86414 19.36883 -14.93044      24.71144 
1 1 1 -30 14 7  o 62.91669 13.81846 70.61710       28.55070 34.10449      43.80298 97.58710       37.64634 49.99147 20.45865 75.84191 18.58072 -25.85044      27.63692 
1 1 1 -30 14 8  o 79.02844 14.39280 108.1954       30.61012 102.3475      48.18547 112.1521       39.63493 75.44669 22.21977 82.61018 18.30006 -7.163490      28.78559 
1 1 1 -30 14 9  o 56.86265 15.19699 45.62358       32.09776 73.64612      49.93523 25.89321       41.90067 65.22093 22.93178 48.50436 19.94812 16.71657       30.39398 
1 1 1 -30 14 10 o 37.17195 12.14372 -24.90254      29.41649 -52.50456     43.07845 -0.7867101     40.26620 33.20559 16.02638 41.13831 18.24925 -7.932724      24.28745 
1 1 1 -30 14 11 o 89.83924 12.03811 126.6543       28.05001 84.31126      39.44082 169.9903       39.90058 71.75807 19.77708 107.9204 13.73069 -36.16234      24.07622 
1 1 1 -30 14 12 o 43.58934 13.00479 12.37903       25.95947 8.870205      34.61857 16.88683       39.23835 41.47870 17.66167 45.69999 19.09355 -4.221283      26.00958 
1 1 1 -30 14 13 o 44.71710 13.07974 16.66843       25.87234 24.31463      34.40395 6.715757       39.25141 46.49880 18.44352 42.93540 18.55140 3.563404       26.15948 
1 1 1 -30 14 14 o 37.76059 12.03002 -7.871174      24.90679 -7.067161     31.18653 -9.287121      41.38650 35.41680 15.86221 40.10438 18.09077 -4.687576      24.06004 
1 1 1 -30 14 15 f 51.24357 13.80205 33.96539       25.60822 30.23039      32.08794 40.51698       42.49812 48.11932 18.15127 54.36782 20.79705 -6.248501      27.60409 
1 1 1 -30 14 16 o 52.53146 11.70858 -28.84028      26.76975 -104.0608     33.18500 111.3080       45.29680 22.49263 11.36534 82.57030 20.47420 -60.07767      23.41716 
1 1 1 -30 14 17 o 85.34805 13.19086 110.5040       27.76787 101.3357      33.39464 131.0453       49.98584 81.52753 15.78248 89.16858 21.14022 -7.641052      26.38173 
1 1 1 -30 14 18 o 47.37459 13.84268 21.75679       28.03126 29.36955      33.58532 4.277691       50.89064 48.02000 18.45964 46.72918 20.63299 1.290829       27.68535 
1 1 1 -30 14 19 o 57.67814 15.16665 41.09473       29.26402 25.09720      34.59619 81.32812       54.86496 46.60696 18.49227 68.74933 24.04465 -22.14237      30.33330 
1 1 1 -30 14 20 o 53.33058 14.92536 27.55976       29.63909 10.02998      35.06855 71.39201       55.45318 41.69761 17.76600 64.96355 23.98822 -23.26594      29.85071 
1 1 1 -30 14 21 o 54.69584 22.50378 39.47651       53.35207 0.000000      0.000000 39.47651       53.35207 ?        ?        54.69584 22.50378 ?              ?        
1 1 1 -30 14 22 o 89.00261 13.68619 143.9851       31.38721 168.4882      38.71187 96.97115       53.62247 106.2774 13.52757 71.72779 23.79605 34.54964       27.37238 
1 1 1 -30 14 23 o 61.79941 14.17106 68.63498       30.54563 100.0601      40.08889 25.13782       47.16461 75.62843 19.54483 47.97038 20.52500 27.65805       28.34212 
1 1 1 -30 14 24 o 41.45782 13.13617 6.930853       30.25799 10.26222      40.84686 2.879934       45.04269 41.61635 18.42473 41.29928 18.72873 0.3170700      26.27234 
1 1 1 -30 14 25 o 66.39297 15.23719 93.42288       32.38960 69.89761      46.47372 115.6427       45.16588 57.35220 21.79352 75.43374 21.30094 -18.08154      30.47438 
1 1 1 -30 14 26 o 69.45593 15.78343 108.5441       34.34412 92.61053      52.01787 120.8572       45.72768 62.61741 23.21112 76.29446 21.39415 -13.67705      31.56685 
1 1 1 -30 16 6  o 41.78841 12.95059 12.83354       28.12095 45.30260      43.74062 -10.04147      36.71391 49.17348 20.31905 34.40335 16.06260 14.77013       25.90117 
1 1 1 -30 16 7  o 49.67262 13.99752 38.42869       29.43370 77.89202      45.17959 9.328210       38.79676 60.00646 21.72999 39.33878 17.65021 20.66768       27.99504 
1 1 1 -30 16 8  o 43.65114 13.38644 15.12042       30.70976 -15.37700     43.83730 44.51060       43.03416 36.87714 17.32454 50.42514 20.41195 -13.54800      26.77288 
1 1 1 -30 16 9  o 76.82318 14.34071 103.8236       30.22656 76.52760      38.93368 145.2375       47.95664 64.19107 20.19514 89.45528 20.36614 -25.26421      28.68141 
1 1 1 -30 16 10 o 39.64462 12.60741 0.2439875      28.22749 7.296300      37.34174 -9.158771      43.11777 40.35933 17.75362 38.92990 17.90521 1.429428       25.21483 
1 1 1 -30 16 11 o 52.35034 13.04720 34.96969       27.68051 80.75623      38.26299 -15.30237      40.09344 67.86306 19.74744 36.83763 17.05745 31.02543       26.09441 
1 1 1 -30 16 12 o 56.38068 12.59179 52.44285       24.89146 81.18597      32.26846 10.20872       39.11497 70.37944 17.17808 42.38192 18.41537 27.99752       25.18357 
1 1 1 -30 16 13 o 37.59924 11.85310 -6.670690      24.50465 -23.34398     32.39534 15.62862       37.46430 31.73320 14.90316 43.46526 18.43582 -11.73206      23.70619 
1 1 1 -30 16 14 o 49.23342 13.55403 33.75326       25.64043 32.86149      33.73399 34.97328       39.45696 48.27956 18.51445 50.18728 19.80056 -1.907722      27.10806 
1 1 1 -30 16 15 o 55.43175 13.53883 51.16277       24.87451 59.35232      29.74472 32.11362       45.36465 60.30329 17.37188 50.56021 20.77060 9.743076       27.07767 
1 1 1 -30 16 16 o 77.56625 13.06695 110.5748       26.42179 125.9027      30.88384 68.72660       51.03026 92.70218 12.37251 62.43032 23.01960 30.27185       26.13390 
1 1 1 -30 16 17 o 172.2754 12.48000 436.4905       57.89236 0.000000      0.000000 436.4905       57.89236 ?        ?        172.2754 12.48000 ?              ?        
1 1 1 -30 16 18 f 88.48421 13.51336 113.5460       28.50484 89.06228      33.02839 185.0163       56.43017 73.89602 16.95846 103.0724 21.04410 -29.17639      27.02672 
1 1 1 -30 16 19 o 92.11182 13.40429 163.6852       29.89758 190.9210      35.49585 97.18501       55.46506 114.1607 11.54722 70.06295 24.19425 44.09773       26.80858 
1 1 1 -30 16 20 o 53.26885 14.13978 46.93263       31.18800 71.77939      37.87790 -5.374627      54.95813 63.09396 19.92808 43.44374 20.06501 19.65022       28.27955 
1 1 1 -30 16 21 o 68.41856 15.54681 93.68156       32.26125 96.29554      39.35049 88.32259       56.34288 72.54316 19.65615 64.29398 24.09250 8.249184       31.09362 
1 1 1 -30 16 22 o 47.44943 14.27434 34.24316       32.45317 46.07281      43.81591 19.86660       48.30290 50.45834 20.53406 44.44051 19.83381 6.017830       28.54868 
1 1 1 -30 16 23 o 52.93789 14.89546 56.33425       32.14640 71.08479      46.34003 42.65115       44.63181 57.21289 21.75697 48.66289 20.35025 8.549995       29.79091 
1 1 1 -30 18 10 o 96.21941 11.87126 166.7176       27.69578 182.4294      34.66428 138.9839       46.05457 108.7552 11.83719 83.68362 20.58125 25.07157       23.74252 
1 1 1 -30 18 11 o 47.10345 12.99386 39.53174       25.60264 53.25988      30.65933 7.901724       46.53789 53.25983 17.99714 40.94706 18.74740 12.31277       25.98773 
1 1 1 -30 18 12 o 40.52405 12.58637 15.40054       26.73961 25.38695      33.20595 -3.020075      45.09864 42.34401 17.61719 38.70409 17.98059 3.639915       25.17274 
1 1 1 -30 18 13 o 36.44097 11.87140 -7.468471      24.81608 -20.14392     30.03713 19.78800       44.04652 29.70177 14.07080 43.18016 19.12414 -13.47839      23.74280 
1 1 1 -30 18 14 o 44.79813 13.10851 30.31299       26.36131 40.06986      32.40934 11.23775       45.31584 47.83235 18.19384 41.76392 18.87634 6.068432       26.21702 
1 1 1 -30 18 15 f 84.59810 12.96146 129.1883       27.90812 129.9322      34.46233 127.7710       47.56916 89.87269 14.24077 79.32352 21.66099 10.54917       25.92293 
1 1 1 -30 18 16 o 37.00879 11.72769 -10.52784      28.57034 29.86674      34.12806 -105.1516      52.23365 44.22364 18.07377 29.79394 14.94971 14.42970       23.45539 
1 1 1 -30 18 17 o 45.95211 13.98713 29.58358       29.53279 23.07999      35.77001 43.51000       52.34344 42.25309 17.97128 49.65114 21.43811 -7.398048      27.97426 
1 1 1 -30 18 18 o 54.86663 14.48801 37.13086       31.02498 -7.173485     37.93120 126.6789       53.92639 35.54822 16.50634 74.18504 23.81491 -38.63682      28.97601 
1 1 1 -30 18 19 o 48.73385 14.23458 40.52562       33.18890 67.27991      42.91399 0.7071405      52.35335 56.42726 21.04948 41.04044 19.16800 15.38682       28.46915 
1 1 1 -30 18 20 f 47.25562 15.64234 22.79181       42.72188 14.65668      48.35181 51.74983       91.22522 42.51409 19.32762 51.99715 24.60030 -9.483055      31.28469 
1 1 1 -29 1  1  o 185.6196 6.282326 480.6648       31.14053 433.4220      45.42000 522.5704       42.77743 176.5455 9.554481 194.6936 8.159802 -18.14809      12.56465 
1 1 1 -29 1  2  o 133.4401 8.285857 248.2456       29.61064 287.2192      43.73401 215.2573       40.23589 143.2174 11.34071 123.6627 12.08346 19.55467       16.57171 
1 1 1 -29 1  3  o 35.85893 11.84577 -35.08943      28.92460 -59.54850     43.07314 -15.00108      39.03540 33.14155 16.00286 38.57631 17.46991 -5.434765      23.69155 
1 1 1 -29 1  4  o 198.1410 6.609147 543.2194       35.16019 557.4276      51.98888 531.2430       47.73151 200.3440 9.637195 195.9379 9.046975 4.406158       13.21829 
1 1 1 -29 1  5  o 72.90211 16.52717 73.46866       36.72837 72.72878      52.65159 74.16994       51.25990 72.73071 23.55104 73.07352 23.19350 -0.3428116     33.05435 
1 1 1 -29 1  6  o 461.8484 6.199324 2885.931       77.08660 2927.349      110.0189 2845.989       108.0418 465.0980 8.784952 458.5988 8.749347 6.499268       12.39865 
1 1 1 -29 1  7  o 229.2069 5.999973 731.5851       36.99891 773.9692      52.92714 691.0782       51.74170 235.8318 8.334751 222.5819 8.633113 13.24989       11.99995 
1 1 1 -29 1  8  o 71.30260 13.96023 73.58267       28.06293 58.91802      39.93058 87.89484       39.44777 64.83014 20.45926 77.77505 18.99922 -12.94492      27.92046 
1 1 1 -29 1  9  o 51.90456 13.28513 14.39410       28.84165 64.75974      40.36192 -38.15719      41.22839 67.51380 20.44414 36.29533 16.97103 31.21848       26.57025 
1 1 1 -29 1  10 o 152.2167 7.264856 315.1652       29.75752 308.1564      41.20285 322.8069       43.02311 150.4663 10.16962 153.9671 10.37745 -3.500717      14.52971 
1 1 1 -29 1  11 o 115.4041 9.530540 182.0093       29.14153 229.2886      42.83681 141.2784       39.75971 129.4860 12.28601 101.3221 14.57322 28.16389       19.06108 
1 1 1 -29 1  12 o 152.1443 6.994954 314.5490       28.65093 320.2299      41.01795 309.1366       40.03694 153.4804 9.925160 150.8082 9.859448 2.672256       13.98991 
1 1 1 -29 1  13 f 202.2324 5.598415 553.2789       30.46891 571.0710      43.99414 536.8784       42.23855 205.3478 7.956487 199.1169 7.878029 6.230957       11.19683 
1 1 1 -29 1  14 o 84.73865 12.14064 102.6938       26.72348 104.7622      36.93334 100.4211       38.71501 85.78502 16.58911 83.69228 17.73083 2.092743       24.28129 
1 1 1 -29 1  15 o 35.97333 11.67165 -33.41528      26.79511 -62.48993     38.36012 -5.712025      37.44450 30.80249 14.92836 41.14417 17.94585 -10.34169      23.34329 
1 1 1 -29 1  16 o 46.85802 19.39169 10.00307       39.92637 0.000000      0.000000 10.00307       39.92637 ?        ?        46.85802 19.39169 ?              ?        
1 1 1 -29 1  17 o 34.99281 11.62603 -41.23014      28.09973 -29.50262     39.48306 -53.26679      40.00002 36.88828 17.02668 33.09733 15.83509 3.790955       23.25205 
1 1 1 -29 1  18 o 69.94996 14.27144 68.62570       29.34134 95.27089      42.46213 44.27715       40.59093 80.93844 19.67498 58.96148 20.67827 21.97696       28.54288 
1 1 1 -29 1  19 o 182.9104 9.786901 455.0006       48.20221 0.000000      0.000000 455.0006       48.20221 ?        ?        182.9104 9.786901 ?              ?        
1 1 1 -29 1  20 f 53.49615 15.51452 16.67151       35.71844 20.79238      51.39008 12.82030       49.68029 54.93324 22.28164 52.05907 21.59466 2.874176       31.02903 
1 1 1 -29 1  21 o 34.90421 11.96461 -86.91130      35.67955 -48.99077     49.13980 -129.1943      51.88942 38.74374 18.24550 31.06469 15.48257 7.679050       23.92923 
1 1 1 -29 1  22 o ?        ?        -246.7033      39.92756 -203.0894     53.91818 -299.6597      59.41311 ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  24 o 145.8536 10.50336 297.1678       40.29173 306.3327      52.22464 283.6906       63.32989 149.1463 13.00408 142.5610 16.49775 6.585327       21.00671 
1 1 1 -29 1  25 o 106.2502 11.02486 163.7914       30.20835 196.6843      42.70387 130.8454       42.73825 118.4344 13.39078 94.06605 17.51792 24.36835       22.04973 
1 1 1 -29 1  26 o 111.3611 9.171142 177.2182       27.25388 157.6225      39.54457 194.9467       37.61350 104.9910 13.98786 117.7311 11.86504 -12.74004      18.34228 
1 1 1 -29 1  27 o 63.67969 13.09728 58.96767       26.27171 23.25477      36.80546 96.06532       37.51223 47.97258 19.06111 79.38680 17.96745 -31.41421      26.19456 
1 1 1 -29 1  28 o 53.24638 14.28438 38.49252       28.21191 40.57717      40.05683 36.44067       39.74040 54.02309 20.30042 52.46967 20.10143 1.553421       28.56877 
1 1 1 -29 1  29 o 47.73460 14.05389 18.58979       30.31500 2.182121      41.13563 38.09287       44.84834 42.16234 18.58680 53.30687 21.08502 -11.14452      28.10778 
1 1 1 -29 1  30 o 70.30251 15.35796 89.76083       32.03957 92.84338      44.31758 86.38557       46.37395 71.87349 21.34605 68.73151 22.08650 3.141975       30.71592 
1 1 1 -29 1  31 o 45.70025 13.60015 15.88226       31.94771 -32.45929     46.64514 58.59678       43.84639 35.68339 17.07961 55.71712 21.16940 -20.03373      27.20031 
1 1 1 -29 1  32 o 45.37329 14.21575 27.22378       34.99105 10.91097      51.62514 41.08637       47.59036 42.50814 19.56621 48.23843 20.62798 -5.730286      28.43150 
1 1 1 -29 3  1  o 100.8010 10.18971 147.9933       27.63571 156.0809      39.56995 140.2921       38.61321 103.6078 14.18370 97.99420 14.63363 5.613609       20.37942 
1 1 1 -29 3  2  o 233.7154 5.698733 748.4948       35.63868 760.5585      53.65117 738.9679       47.67743 235.1633 8.472785 232.2675 7.623263 2.895798       11.39747 
1 1 1 -29 3  3  o 244.9155 5.897401 825.0438       38.86699 784.7957      54.38433 867.0616       55.56719 238.7365 8.460024 251.0946 8.218597 -12.35808      11.79480 
1 1 1 -29 3  4  o 202.4577 6.671690 560.1373       36.24298 595.2817      54.07843 531.4804       48.83268 208.1023 9.650810 196.8130 9.214533 11.28926       13.34338 
1 1 1 -29 3  5  o 37.31729 12.69257 -70.28291      37.11177 -76.81017     56.44275 -65.31201      49.25618 38.39667 18.48428 36.23791 17.39932 2.158756       25.38513 
1 1 1 -29 3  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  8  o 30.88976 10.65565 -73.10101      29.01845 -90.49619     41.27253 -56.09518      40.80800 28.91608 14.30754 32.86345 15.79449 -3.947371      21.31130 
1 1 1 -29 3  9  o 156.3794 7.458889 333.3145       31.19108 284.5398      43.48556 384.9990       44.76390 144.4755 11.17809 168.2832 9.878789 -23.80777      14.91778 
1 1 1 -29 3  10 o 84.04117 13.56557 102.7931       30.32419 128.6300      43.15314 77.58873       42.62156 94.84862 17.54269 73.23371 20.69668 21.61491       27.13114 
1 1 1 -29 3  11 o 139.5069 8.401881 265.1009       31.32758 312.2045      45.69802 223.3368       43.03002 151.2735 11.21892 127.7403 12.51008 23.53316       16.80376 
1 1 1 -29 3  12 o 186.9293 6.575243 475.7345       32.99704 458.6584      48.02406 491.0056       45.41490 183.6690 9.710456 190.1896 8.868050 -6.520615      13.15049 
1 1 1 -29 3  13 o 57.12287 13.42617 25.31213       29.05241 84.64426      43.13087 -23.96697      39.30742 76.35069 20.53304 37.89505 17.30440 38.45564       26.85233 
1 1 1 -29 3  14 o 70.74861 14.13944 72.13731       28.29390 62.53687      40.62952 81.17690       39.42491 66.62506 20.57661 74.87217 19.39840 -8.247108      28.27888 
1 1 1 -29 3  15 o 150.4144 7.779996 311.6988       30.81752 235.6286      43.21011 390.4494       43.96481 131.3166 12.22031 169.5122 9.632095 -38.19565      15.55999 
1 1 1 -29 3  16 o 31.93777 10.87405 -71.52780      28.70151 -28.91426     39.92014 -117.1269      41.29489 37.24986 17.16802 26.62568 13.35062 10.62418       21.74811 
1 1 1 -29 3  17 o 158.9828 7.356045 343.8610       31.46333 324.3965      43.84774 364.5205       45.17361 154.3233 10.55194 163.6423 10.25194 -9.318970      14.71209 
1 1 1 -29 3  18 o 214.5788 8.759419 624.9529       50.61106 0.000000      0.000000 624.9529       50.61106 ?        ?        214.5788 8.759419 ?              ?        
1 1 1 -29 3  19 o 94.89732 12.94983 132.2573       31.88364 89.23344      46.25919 171.1915       44.00573 78.26937 21.35548 111.5253 14.65388 -33.25591      25.89966 
1 1 1 -29 3  20 o 95.79575 13.28517 136.7720       33.54590 65.46381      47.54110 207.4832       47.34166 68.73699 22.38704 122.8545 14.31097 -54.11752      26.57034 
1 1 1 -29 3  21 o 60.27181 15.70389 50.33727       33.56028 49.29446      46.60160 51.46075       48.37063 59.73917 22.00245 60.80445 22.41296 -1.065273      31.40778 
1 1 1 -29 3  22 o 29.34681 14.80753 -204.0954      40.82256 -174.6028     55.15850 -239.8147      60.70252 29.34681 14.80753 ?        ?        ?              ?        
1 1 1 -29 3  23 o 699.6687 11.65837 6644.741       219.6411 6644.741      219.6411 0.000000       0.000000 699.6687 11.65837 ?        ?        ?              ?        
1 1 1 -29 3  24 o 128.0930 17.19178 246.2781       59.29657 0.000000      0.000000 246.2781       59.29657 ?        ?        128.0930 17.19178 ?              ?        
1 1 1 -29 3  25 o 47.52689 14.07236 9.211276       30.89585 25.23439      42.74162 -8.322882      44.71159 51.61827 20.53098 43.43550 19.25110 8.182774       28.14473 
1 1 1 -29 3  26 o 71.88777 13.84734 81.39256       27.70534 71.06786      40.25709 90.68288       38.18732 67.32516 20.42441 76.45039 18.70397 -9.125229      27.69468 
1 1 1 -29 3  27 o 102.1127 10.25963 151.9827       27.05959 122.6546      38.29734 181.2212       38.23881 90.84276 16.25322 113.3827 12.52489 -22.53999      20.51926 
1 1 1 -29 3  28 o 55.18903 14.61463 41.59680       29.72520 26.32072      40.45090 59.52954       43.82739 49.06441 19.81478 61.31364 21.48775 -12.24923      29.22925 
1 1 1 -29 3  29 o 55.63658 15.15988 44.62844       32.73154 60.84795      46.07568 28.10448       46.50610 60.81102 21.95622 50.46214 20.90962 10.34887       30.31976 
1 1 1 -29 3  30 o 42.62135 13.15604 -10.46933      32.33849 -68.73351     46.47029 44.24100       45.03075 32.02457 15.71569 53.21813 21.10315 -21.19357      26.31208 
1 1 1 -29 3  31 o 54.76801 15.00353 57.71823       32.17165 73.20672      45.26451 41.90656       45.73430 59.75492 21.73331 49.78109 20.69026 9.973839       30.00706 
1 1 1 -29 5  1  o 65.05872 13.99075 68.98086       26.95028 58.93844      39.89942 77.40691       36.54767 60.81078 20.53087 69.30664 19.01177 -8.495857      27.98149 
1 1 1 -29 5  2  o 159.5016 7.223846 353.5658       30.51504 355.5078      47.65844 352.2165       39.72606 159.4092 11.10307 159.5941 9.244329 -0.1848907     14.44769 
1 1 1 -29 5  3  o 88.34058 12.24546 115.0740       30.79193 223.8879      46.48227 29.98160       41.10462 125.2048 13.78742 51.47639 20.24135 73.72838       24.49093 
1 1 1 -29 5  4  o 141.1545 8.633107 275.3078       32.24166 354.1133      48.22897 211.6314       43.35299 159.6178 11.22130 122.6912 13.12267 36.92661       17.26621 
1 1 1 -29 5  5  o 99.52151 13.12841 155.3647       33.75208 223.9297      48.91051 93.02857       46.63599 123.9268 14.65729 75.11626 21.78497 48.81049       26.25683 
1 1 1 -29 5  6  o 252.7219 6.980538 866.7656       47.47944 864.6359      68.16559 868.7725       66.17097 252.3882 10.03027 253.0556 9.711092 -0.6674042     13.96108 
1 1 1 -29 5  7  o 214.8093 10.33681 625.3365       59.78925 0.000000      0.000000 625.3365       59.78925 ?        ?        214.8093 10.33681 ?              ?        
1 1 1 -29 5  8  o 78.63831 20.90520 97.98865       45.02785 0.000000      0.000000 97.98865       45.02785 ?        ?        78.63831 20.90520 ?              ?        
1 1 1 -29 5  9  o 235.6116 6.044960 755.1347       38.16674 864.0010      55.53812 657.7105       52.53853 251.7827 8.191849 219.4405 8.891557 32.34224       12.08992 
1 1 1 -29 5  10 o 139.9004 8.276302 269.5107       30.72979 217.3730      43.38085 322.0234       43.53655 126.0137 12.78489 153.7872 10.51357 -27.77355      16.55260 
1 1 1 -29 5  11 o 256.3645 5.653694 887.3307       38.86203 925.1454      58.15522 856.8196       52.23813 261.2234 8.267862 251.5056 7.713591 9.717773       11.30739 
1 1 1 -29 5  12 o 191.5724 6.677323 495.0470       34.25541 533.0790      51.83543 465.5600       45.64231 198.0026 9.722374 185.1421 9.155437 12.86053       13.35465 
1 1 1 -29 5  13 o 421.1937 5.633940 2393.452       63.74844 2227.236      86.74703 2588.611       93.99652 405.3757 7.947189 437.0117 7.987949 -31.63608      11.26788 
1 1 1 -29 5  14 o 134.8311 12.55192 248.8473       45.57050 0.000000      0.000000 248.8473       45.57050 ?        ?        134.8311 12.55192 ?              ?        
1 1 1 -29 5  15 o 215.1178 9.028131 628.4133       52.29469 0.000000      0.000000 628.4133       52.29469 ?        ?        215.1178 9.028131 ?              ?        
1 1 1 -29 5  16 o 201.8199 9.821818 553.9806       53.37518 0.000000      0.000000 553.9806       53.37518 ?        ?        201.8199 9.821818 ?              ?        
1 1 1 -29 5  17 o 148.1396 11.94923 299.8733       47.66446 0.000000      0.000000 299.8733       47.66446 ?        ?        148.1396 11.94923 ?              ?        
1 1 1 -29 5  18 o 63.98577 16.16996 51.24096       35.46712 39.53719      53.55322 60.38511       47.33632 61.19960 23.36124 66.77194 22.36343 -5.572346      32.33992 
1 1 1 -29 5  19 o 40.80869 13.03943 -32.03156      32.38393 3.095099      44.25148 -72.53625      47.51844 46.91043 19.97126 34.70696 16.77067 12.20346       26.07885 
1 1 1 -29 5  20 o 47.70883 14.12089 14.90604       30.45795 18.52127      42.03301 10.90908       44.19648 48.34980 19.94319 47.06787 19.99667 1.281925       28.24177 
1 1 1 -29 5  21 o ?        ?        -230.0854      51.65812 0.000000      0.000000 -230.0854      51.65812 ?        ?        ?        ?        ?              ?        
1 1 1 -29 5  22 o 566.0482 9.875673 4338.854       150.5232 0.000000      0.000000 4338.854       150.5232 ?        ?        566.0482 9.875673 ?              ?        
1 1 1 -29 5  23 o 253.3773 10.58837 878.9944       72.24046 0.000000      0.000000 878.9944       72.24046 ?        ?        253.3773 10.58837 ?              ?        
1 1 1 -29 5  24 o 35.41554 11.90373 -47.00304      30.83185 -37.10996     40.76226 -60.23080      47.13414 35.44964 16.67057 35.38145 16.99668 0.6819153E-01  23.80746 
1 1 1 -29 5  25 o 74.76701 13.22495 85.60736       28.26833 128.1436      40.63243 45.70734       39.35317 92.55153 16.92826 56.98249 20.32318 35.56903       26.44991 
1 1 1 -29 5  26 o 64.83545 13.40835 58.27758       27.56559 105.5781      41.32972 20.37559       36.99649 82.68761 18.96611 46.98330 18.95843 35.70431       26.81670 
1 1 1 -29 5  27 o 117.5778 9.807981 198.1852       30.93236 190.4822      41.65992 207.6495       46.17808 115.2837 13.42045 119.8719 14.30655 -4.588226      19.61596 
1 1 1 -29 5  28 o 51.81486 14.45657 32.15462       30.21578 49.55322      44.04390 16.68551       41.52996 57.32740 21.33671 46.30231 19.51189 11.02508       28.91313 
1 1 1 -29 5  29 o 45.51802 13.89797 12.39948       31.30455 -0.6765513    42.88424 27.31560       45.80233 41.59412 18.61676 49.44192 20.64050 -7.847805      27.79593 
1 1 1 -29 5  30 o 64.53369 15.23196 78.81929       31.36191 68.27015      45.01697 88.76774       43.71650 60.38487 21.71525 68.68250 21.36581 -8.297630      30.46391 
1 1 1 -29 5  31 o 52.82619 14.85674 56.05791       32.19943 43.09455      47.69025 66.91840       43.65111 49.14073 20.81925 56.51165 21.20022 -7.370918      29.71347 
1 1 1 -29 7  1  o 127.1170 8.258069 232.1263       27.97844 230.0817      42.50457 233.6896       37.16566 126.0318 12.52483 128.2022 10.76621 -2.170372      16.51614 
1 1 1 -29 7  2  o 93.48116 11.63227 132.2491       28.14453 133.2262      43.72828 131.5581       36.77377 92.14395 18.26973 94.81835 14.40331 -2.674400      23.26453 
1 1 1 -29 7  3  o 80.93937 13.10162 102.2917       29.03218 68.67805      42.79472 130.9526       39.51637 66.60680 21.19745 95.27193 15.40383 -28.66513      26.20324 
1 1 1 -29 7  4  o 67.97864 14.23885 71.93253       27.87468 79.12059      41.14473 65.83452       37.89678 70.83750 20.43867 65.11977 19.83029 5.717735       28.47770 
1 1 1 -29 7  5  o 51.33548 14.01464 29.44264       27.25095 31.19587      41.63041 28.12816       36.04709 52.79396 20.48067 49.87700 19.13591 2.916969       28.02929 
1 1 1 -29 7  6  o 75.06931 14.31031 90.21755       30.21867 68.70219      43.94327 109.5203       41.62241 66.15550 21.52214 83.98310 18.86631 -17.82760      28.62062 
1 1 1 -29 7  7  o 113.4363 15.82807 178.2301       48.34631 0.000000      0.000000 178.2301       48.34631 ?        ?        113.4363 15.82807 ?              ?        
1 1 1 -29 7  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 7  9  o ?        ?        -214.9164      50.99221 0.000000      0.000000 -214.9164      50.99221 ?        ?        ?        ?        ?              ?        
1 1 1 -29 7  10 o 38.94680 12.89283 -34.71642      34.39514 -59.69368     48.94835 -10.35468      48.34148 35.21914 17.01887 42.67445 19.37160 -7.455307      25.78567 
1 1 1 -29 7  11 o 216.5343 6.551624 644.6205       37.76923 634.2950      57.62724 652.3961       50.00713 214.6911 9.968515 218.3775 8.504340 -3.686462      13.10325 
1 1 1 -29 7  12 o 58.06980 15.20599 39.32428       31.39744 40.55602      47.27468 38.35217       41.99765 59.25855 22.09556 56.88105 20.89676 2.377499       30.41197 
1 1 1 -29 7  13 o 53.10040 14.94297 22.30780       31.88662 29.91452      48.03661 16.31584       42.63420 56.28607 21.95429 49.91472 20.27754 6.371349       29.88594 
1 1 1 -29 7  14 o 268.3909 7.791588 975.8373       56.30892 0.000000      0.000000 975.8373       56.30892 ?        ?        268.3909 7.791588 ?              ?        
1 1 1 -29 7  15 o 94.08141 13.13931 130.2376       32.31606 81.68854      46.44374 175.8037       44.99435 75.15377 21.72392 113.0090 14.78636 -37.85526      26.27861 
1 1 1 -29 7  16 o 67.27137 15.74767 59.80499       34.30469 36.09466      48.00048 84.55814       49.04470 58.20926 22.14155 76.33347 22.39885 -18.12421      31.49534 
1 1 1 -29 7  17 o 164.9436 11.80105 373.3472       52.41307 0.000000      0.000000 373.3472       52.41307 ?        ?        164.9436 11.80105 ?              ?        
1 1 1 -29 7  18 o 94.49385 13.95188 134.1894       35.02586 98.12066      46.48659 181.5560       53.27192 78.37263 21.41797 110.6151 17.88548 -32.24243      27.90377 
1 1 1 -29 7  19 f ?        ?        -222.2486      32.23252 -230.0305     41.73505 -210.7461      50.74051 ?        ?        ?        ?        ?              ?        
1 1 1 -29 7  20 o 60.57853 24.29913 27.20521       60.38434 0.000000      0.000000 27.20521       60.38434 ?        ?        60.57853 24.29913 ?              ?        
1 1 1 -29 7  21 o 739.3784 11.82753 7422.789       235.4747 0.000000      0.000000 7422.789       235.4747 ?        ?        739.3784 11.82753 ?              ?        
1 1 1 -29 7  22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 7  23 o 104.9292 11.75957 163.4339       31.42462 201.0704      43.64820 122.9328       45.27890 119.6154 13.55177 90.24303 19.22238 29.37232       23.51915 
1 1 1 -29 7  24 o 60.54184 12.85218 43.99784       27.84007 101.8670      40.10651 -9.817023      38.67606 81.59157 18.66059 39.49211 17.67758 42.09946       25.70437 
1 1 1 -29 7  25 o 40.46760 12.71124 -6.005831      27.70079 -8.797789     40.51848 -3.555774      37.95656 40.48317 18.10943 40.45202 17.84238 0.3115082E-01  25.42247 
1 1 1 -29 7  26 o 49.91303 13.71509 25.04078       27.96847 -0.2511978    40.87381 47.30952       38.35319 42.63184 18.66791 57.19421 20.09786 -14.56237      27.43018 
1 1 1 -29 7  27 o 44.76538 13.54278 9.977271       29.31728 21.21043      41.30810 -1.423646      41.61541 47.68095 19.72767 41.84981 18.55927 5.831142       27.08556 
1 1 1 -29 7  28 o 51.53452 14.54513 34.97623       30.43566 35.04650      43.24798 34.90728       42.83996 51.59944 20.61127 51.46960 20.52850 0.1298447      29.09026 
1 1 1 -29 7  29 o 58.51716 15.01431 60.24419       30.68141 53.24675      44.06139 66.83085       42.74853 56.01678 21.23613 61.01754 21.23075 -5.000767      30.02862 
1 1 1 -29 7  30 o 49.19183 14.52215 38.99594       31.78230 45.17969      48.60884 34.37831       42.00481 50.99886 21.27467 47.38482 19.77271 3.614040       29.04430 
1 1 1 -29 7  31 o 81.61227 15.48765 143.0749       35.41290 123.2719      53.96455 158.0525       46.93152 72.36246 23.86537 90.86210 19.74621 -18.49964      30.97529 
1 1 1 -29 9  1  o 138.0359 7.465894 275.3335       27.52450 254.1483      40.42806 293.6378       37.57894 132.3913 11.34070 143.6805 9.713223 -11.28917      14.93179 
1 1 1 -29 9  2  o 47.18056 12.89317 15.77913       25.75097 58.01846      38.97024 -16.95868      34.30832 59.83431 20.28996 34.52680 15.91392 25.30751       25.78634 
1 1 1 -29 9  3  o 67.24707 13.70620 71.44250       27.41570 100.8867      39.74593 44.71820       37.86569 79.48450 18.85531 55.00964 19.89765 24.47486       27.41239 
1 1 1 -29 9  4  o 68.08513 14.28878 72.37701       28.03505 70.39317      42.00726 73.97026       37.64549 67.18143 20.95137 68.98882 19.43493 -1.807396      28.57755 
1 1 1 -29 9  5  o 51.75272 14.19587 30.17996       28.63735 43.69243      41.30430 17.67184       39.73965 56.38745 20.72231 47.11798 19.40815 9.269463       28.39173 
1 1 1 -29 9  6  o 139.9653 8.358400 275.0820       31.47123 261.2463      44.43276 289.0107       44.58170 136.2918 12.10738 143.6388 11.52661 -7.347015      16.71680 
1 1 1 -29 9  7  o 127.8122 9.450754 229.4747       32.31608 204.3746      46.28918 253.3400       45.13631 120.6381 14.24989 134.9863 12.41803 -14.34824      18.90151 
1 1 1 -29 9  8  o 57.27248 13.71343 38.92453       32.44748 -34.88317     48.35725 99.36986       43.76150 38.01797 17.96331 76.52700 20.72564 -38.50903      27.42686 
1 1 1 -29 9  9  o 157.5205 9.889846 340.9464       41.89193 346.2037      61.02534 336.2610       57.61032 158.5955 14.29012 156.4454 13.67584 2.150085       19.77969 
1 1 1 -29 9  10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 9  11 o 294.1086 8.385446 1169.554       66.40752 0.000000      0.000000 1169.554       66.40752 ?        ?        294.1086 8.385446 ?              ?        
1 1 1 -29 9  12 o 44.44856 20.51006 -42.18676      57.22606 -42.18676     57.22606 0.000000       0.000000 44.44856 20.51006 ?        ?        ?              ?        
1 1 1 -29 9  13 o ?        ?        -339.9977      37.22092 -363.2452     56.83221 -322.5367      49.25405 ?        ?        ?        ?        ?              ?        
1 1 1 -29 9  14 o ?        ?        -303.7769      37.98065 -268.3860     58.54391 -329.4977      49.90904 ?        ?        ?        ?        ?              ?        
1 1 1 -29 9  15 o 48.36043 15.41508 -20.70382      41.52488 -15.27596     65.65357 -24.32294      53.61004 51.80582 23.12193 44.91504 20.39301 6.890789       30.83015 
1 1 1 -29 9  16 o 41.25591 19.62006 -69.67414      59.51281 -69.67414     59.51281 0.000000       0.000000 41.25591 19.62006 ?        ?        ?              ?        
1 1 1 -29 9  17 o ?        ?        -302.9836      69.92352 0.000000      0.000000 -302.9836      69.92352 ?        ?        ?        ?        ?              ?        
1 1 1 -29 9  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 9  19 o 666.1920 11.26511 6023.831       202.0776 0.000000      0.000000 6023.831       202.0776 ?        ?        666.1920 11.26511 ?              ?        
1 1 1 -29 9  20 o 73.47908 25.62023 77.34977       62.26809 0.000000      0.000000 77.34977       62.26809 ?        ?        73.47908 25.62023 ?              ?        
1 1 1 -29 9  21 o 40.43975 12.90373 -13.40178      30.57385 5.731904      39.78470 -41.00009      47.78130 43.23611 18.67917 37.64338 17.80768 5.592735       25.80746 
1 1 1 -29 9  22 o 132.5927 8.072459 248.5978       27.97150 310.2733      39.13141 184.1598       39.99818 150.2929 9.669493 114.8925 12.92901 35.40040       16.14492 
1 1 1 -29 9  23 o 97.72697 10.33226 137.2970       27.16885 141.7808      39.36065 133.2166       37.54849 99.19518 14.73629 96.25877 14.48668 2.936409       20.66451 
1 1 1 -29 9  24 o 33.31424 11.11486 -46.74984      26.58816 -9.369228     39.29358 -78.31940      36.11044 39.79838 17.81616 26.83009 13.29453 12.96828       22.22971 
1 1 1 -29 9  25 o 59.66022 14.02657 49.54801       27.16135 78.56362      41.62809 28.03793       35.84195 70.32948 20.63554 48.99097 19.00404 21.33851       28.05315 
1 1 1 -29 9  26 o 36.24044 11.96494 -27.20858      28.78567 -19.90189     41.77348 -33.81528      39.72211 38.00478 17.53206 34.47610 16.28699 3.528671       23.92988 
1 1 1 -29 9  27 o 42.30252 13.18021 3.444819       29.22108 2.941386      41.42701 3.943316       41.22345 42.22392 18.63124 42.38111 18.64802 -0.1571922     26.36042 
1 1 1 -29 9  28 o 54.09045 14.70944 46.41550       30.53188 58.92103      43.38809 34.14861       42.97212 58.24109 21.26351 49.93980 20.33060 8.301292       29.41887 
1 1 1 -29 9  29 o 41.28236 13.08229 6.367915       30.60129 -12.18101     46.69470 20.33137       40.51396 38.80698 18.11734 43.75774 18.87715 -4.950764      26.16458 
1 1 1 -29 9  30 o 47.44527 14.50057 37.50077       33.86217 34.51519      51.74917 39.73634       44.77996 47.13162 20.80872 47.75891 20.20057 -0.6272964     29.00113 
1 1 1 -29 11 1  o 50.12012 13.67986 41.96319       26.24492 37.05919      39.47934 45.84658       35.13174 48.70023 19.60777 51.54000 19.08112 -2.839771      27.35971 
1 1 1 -29 11 2  o 44.75183 12.49452 16.46126       26.14063 -32.50298     40.63310 51.03633       34.14460 34.18215 16.24313 55.32151 18.98981 -21.13936      24.98904 
1 1 1 -29 11 3  o 95.60320 11.44420 148.2715       27.16331 97.39219      40.49459 189.8928       36.62558 76.50032 19.57714 114.7061 11.85809 -38.20575      22.88839 
1 1 1 -29 11 4  o 272.3395 5.312678 1023.901       38.93177 1036.830      54.27635 1010.199       55.87408 274.2538 7.349782 270.4252 7.673258 3.828613       10.62536 
1 1 1 -29 11 5  o 53.85893 14.19209 38.49382       28.42646 55.23913      39.57406 20.64356       40.85888 59.88570 20.44587 47.83217 19.68827 12.05353       28.38417 
1 1 1 -29 11 6  o 140.9725 8.116529 282.5302       30.20529 227.7217      43.65804 332.8541       41.83381 127.0109 12.76556 154.9341 10.02760 -27.92316      16.23306 
1 1 1 -29 11 7  o 44.92821 19.24661 7.428267       41.56266 0.000000      0.000000 7.428267       41.56266 ?        ?        44.92821 19.24661 ?              ?        
1 1 1 -29 11 8  o 55.27704 14.99824 37.67233       31.97850 21.00599      47.69587 51.28234       43.10123 50.98432 21.15475 59.56977 21.26653 -8.585449      29.99648 
1 1 1 -29 11 9  o 129.2475 10.31299 240.5358       34.95096 185.0330      50.34975 292.1529       48.55532 113.7487 16.43870 144.7463 12.45793 -30.99766      20.62598 
1 1 1 -29 11 10 o 43.30122 13.22823 -32.98030      33.27351 -105.4465     47.69462 35.72972       46.44208 30.64642 15.20189 55.95602 21.65288 -25.30960      26.45646 
1 1 1 -29 11 11 o 28.67192 10.13790 -109.1204      32.34127 -113.2670     44.23174 -104.3567      47.40823 27.53027 13.80600 29.81358 14.84934 -2.283304      20.27581 
1 1 1 -29 11 12 o 28.14847 14.15681 -194.4466      34.77549 -131.0975     48.22392 -263.0808      50.19524 28.14847 14.15681 ?        ?        ?              ?        
1 1 1 -29 11 13 o 32.03689 15.86951 -109.8001      51.30399 -109.8001     51.30399 0.000000       0.000000 32.03689 15.86951 ?        ?        ?              ?        
1 1 1 -29 11 14 o 41.43501 13.50480 -40.45355      36.23806 -7.823155     49.70060 -77.49065      52.95036 46.29308 20.41792 36.57693 17.68125 9.716145       27.00959 
1 1 1 -29 11 15 o 87.06710 13.14467 128.8876       35.22284 206.6710      45.03127 6.293897       56.53340 121.8549 13.72422 52.27925 22.42264 69.57568       26.28934 
1 1 1 -29 11 16 o 64.00930 20.04412 61.91937       38.40371 61.91937      38.40371 0.000000       0.000000 64.00930 20.04412 ?        ?        ?              ?        
1 1 1 -29 11 17 o 132.1340 11.97998 307.4369       33.68900 380.3646      41.55183 167.5307       57.55223 164.7267 9.367908 99.54127 22.05272 65.18548       23.95996 
1 1 1 -29 11 18 o 126.6546 11.75401 271.0758       32.87821 344.5009      41.53681 147.8922       53.80059 157.3220 9.805285 95.98717 21.36548 61.33485       23.50802 
1 1 1 -29 11 19 f 45.40059 13.16984 8.405751       27.85604 32.86195      35.45429 -31.04354      45.02918 51.81029 19.17103 38.99089 18.06241 12.81940       26.33968 
1 1 1 -29 11 20 o 39.00344 12.00971 -7.930512      25.30042 15.84331      32.77960 -42.96323      39.79157 44.12416 17.83105 33.88271 16.09303 10.24146       24.01941 
1 1 1 -29 11 21 o 95.90484 10.67358 134.9858       26.66970 154.7477      37.79308 115.3829       37.64068 104.1772 13.47275 87.63250 16.55857 16.54468       21.34716 
1 1 1 -29 11 22 o 89.24294 12.07300 115.5619       28.08496 176.5100      43.15466 70.78217       36.99034 110.9329 14.44721 67.55296 19.34702 43.37994       24.14600 
1 1 1 -29 11 23 o 38.61561 12.76714 -30.10668      31.68307 -15.72976     37.98468 -62.97952      57.43729 37.69157 17.13349 39.53964 18.93259 -1.848072      25.53428 
1 1 1 -29 11 24 o 95.82579 11.40188 137.4976       28.66152 156.0248      41.84068 121.1175       39.34166 102.9933 15.08712 88.65824 17.09944 14.33509       22.80377 
1 1 1 -29 11 25 o 42.65364 13.21762 3.497056       29.09141 8.672247      40.62363 -1.950685      41.67962 43.73862 18.88572 41.56865 18.49733 2.169975       26.43523 
1 1 1 -29 11 26 o 40.11842 12.86011 -9.071897      30.18242 -21.73635     41.83416 4.677111       43.58866 37.04017 17.24416 43.19666 19.08321 -6.156487      25.72023 
1 1 1 -29 11 27 o 52.32870 14.40122 40.98881       30.66772 16.04511      44.66782 63.23177       42.18040 45.14757 19.64819 59.50983 21.06013 -14.36226      28.80244 
1 1 1 -29 11 28 o 46.55967 13.66000 18.86715       30.62762 66.84973      45.58061 -20.63130      41.35503 57.90598 21.67539 35.21336 16.63011 22.69262       27.32001 
1 1 1 -29 11 29 o 38.18987 12.76495 -13.17647      35.04321 -37.12439     54.84900 3.341692       45.55286 36.60275 17.76520 39.77699 18.33502 -3.174232      25.52989 
1 1 1 -29 13 1  o 76.05193 13.43317 109.1945       27.47911 126.1044      40.59484 94.89322       37.33247 82.08472 18.77420 70.01913 19.21795 12.06559       26.86634 
1 1 1 -29 13 2  o 107.3760 9.032180 176.8565       25.92567 192.0489      39.60315 165.4631       34.29578 110.8186 13.27192 103.9334 12.25468 6.885109       18.06436 
1 1 1 -29 13 3  o 52.28917 13.57528 45.01647       25.47732 33.27835      36.14081 56.61219       35.92094 47.73960 18.91357 56.83875 19.47897 -9.099148      27.15057 
1 1 1 -29 13 4  o 44.13248 12.26468 15.17370       24.39329 48.60679      33.55759 -22.28546      35.52069 54.64733 18.82201 33.61762 15.72963 21.02971       24.52936 
1 1 1 -29 13 5  o 185.9820 5.988812 484.8271       29.80822 519.4429      41.04842 446.2088       43.35661 193.4727 7.879406 178.4913 9.021001 14.98132       11.97762 
1 1 1 -29 13 6  o 171.0318 6.824904 409.6182       31.26391 467.4014      45.11941 356.2519       43.36071 182.9605 9.158463 159.1031 10.12126 23.85747       13.64981 
1 1 1 -29 13 7  f 76.64259 13.99786 96.74268       29.78788 71.70872      44.21428 117.5495       40.30889 66.38603 21.58798 86.89915 17.82469 -20.51311      27.99572 
1 1 1 -29 13 8  o 271.7350 5.622320 1014.201       41.13811 1015.837      58.20578 1012.568       58.15041 271.9558 7.948485 271.5143 7.953837 0.4415588      11.24464 
1 1 1 -29 13 9  o 90.03641 13.23800 124.0389       30.82732 125.2494      41.01896 122.4679       46.73006 91.28616 17.32136 88.78666 20.02371 2.499504       26.47600 
1 1 1 -29 13 10 o 147.3060 11.73096 304.8419       46.53047 0.000000      0.000000 304.8419       46.53047 ?        ?        147.3060 11.73096 ?              ?        
1 1 1 -29 13 11 o 121.4446 8.734103 197.7189       27.76389 149.3938      35.22029 277.0371       45.12249 102.6628 12.74079 140.2263 11.95034 -37.56350      17.46821 
1 1 1 -29 13 12 o 71.69920 13.65447 73.35748       27.72593 43.41501      35.37042 121.0782       44.65292 55.09362 19.30385 88.30476 19.31683 -33.21114      27.30894 
1 1 1 -29 13 13 o 67.68061 14.10215 67.45011       27.00591 53.28236      34.19374 90.93953       44.02832 59.49850 18.94928 75.86272 20.89038 -16.36423      28.20431 
1 1 1 -29 13 14 o 143.7714 7.551186 283.9101       27.40456 276.8193      33.23706 298.9662       48.43202 141.7982 8.704993 145.7446 12.34118 -3.946381      15.10237 
1 1 1 -29 13 15 o 42.86309 13.09774 -4.031980      25.16098 -16.11436     29.58209 27.57232       47.84381 32.69250 14.96032 53.03368 21.50331 -20.34117      26.19549 
1 1 1 -29 13 16 o 76.65338 13.07181 93.60805       26.05561 102.3948      31.30796 73.80913       46.99602 84.75298 13.71881 68.55379 22.25496 16.19919       26.14362 
1 1 1 -29 13 17 o 127.2172 7.961413 236.4699       25.64080 262.9201      32.51318 192.9580       41.70114 138.0320 8.747746 116.4023 13.30464 21.62973       15.92283 
1 1 1 -29 13 18 o 32.77041 10.87975 -28.71176      23.83933 -29.77550     30.86880 -27.13979      37.52553 30.51730 14.39869 35.02352 16.31422 -4.506224      21.75951 
1 1 1 -29 13 19 o 44.30521 13.01855 12.63574       25.22527 8.755132      32.80384 18.25060       39.45880 41.37721 17.38377 47.23320 19.38387 -5.855988      26.03709 
1 1 1 -29 13 20 o 67.43095 11.38406 60.70907       26.00961 129.7790      37.48043 -3.449783      36.12338 95.20245 14.62087 39.65945 17.45330 55.54299       22.76813 
1 1 1 -29 13 21 o 38.40245 12.18163 -9.036400      26.01451 -3.577938     34.20218 -16.52886      40.07106 38.37453 16.93096 38.43037 17.51887 -0.5583572E-01 24.36325 
1 1 1 -29 13 22 o 41.82001 12.90787 2.885134       27.48424 6.866084      38.37371 -1.308000      39.38310 42.64220 18.38389 40.99783 18.12416 1.644375       25.81575 
1 1 1 -29 13 23 o 60.91602 14.55671 58.25389       28.94832 41.09744      39.80029 77.52477       42.18162 53.61232 20.21720 68.21971 20.94890 -14.60739      29.11343 
1 1 1 -29 13 24 o 37.75100 12.27984 -16.59802      28.83614 -7.090605     40.64685 -26.23146      40.91538 39.55536 17.87786 35.94664 16.83925 3.608719       24.55969 
1 1 1 -29 13 25 o 44.52520 13.51453 13.00634       29.45875 -3.061946     40.22607 31.59090       43.26125 39.59321 17.85006 49.45720 20.29644 -9.863983      27.02906 
1 1 1 -29 13 26 o 74.33237 14.92166 103.0670       31.94400 129.7300      46.47963 79.19955       43.97558 84.31061 20.63995 64.35414 21.55494 19.95647       29.84331 
1 1 1 -29 13 27 o 47.64764 14.63325 34.34613       34.53828 46.39245      52.91413 25.40409       45.58928 50.48577 21.67430 44.80951 19.66602 5.676258       29.26650 
1 1 1 -29 15 3  o 83.34463 12.23997 124.5888       26.52449 115.2873      38.66383 132.8583       36.45604 78.69746 18.54901 87.99180 15.97502 -9.294342      24.47993 
1 1 1 -29 15 4  o 129.7890 8.009007 251.9836       27.80445 216.4482      38.23662 291.8586       40.50415 119.4267 11.89035 140.1512 10.73295 -20.72449      16.01801 
1 1 1 -29 15 5  o 60.86147 14.50446 67.71108       28.27786 61.33284      40.27388 73.91319       39.71387 58.22986 20.58173 63.49308 20.44284 -5.263218      29.00892 
1 1 1 -29 15 6  o 57.13610 14.61813 55.45858       29.30915 44.34045      43.69087 64.55571       39.52092 53.42120 20.90979 60.85099 20.43380 -7.429790      29.23627 
1 1 1 -29 15 7  o 138.7699 8.821994 286.1436       32.01244 253.2578      49.53348 309.7313       41.95044 130.2765 14.12048 147.2634 10.57933 -16.98695      17.64399 
1 1 1 -29 15 8  o 43.40686 12.99011 -6.159087      30.91408 -72.97163     47.59614 42.59316       40.65744 32.83086 16.06839 53.98287 20.41516 -21.15202      25.98023 
1 1 1 -29 15 9  o 52.49245 12.48549 6.493810       28.43656 -63.91165     38.09576 95.08418       42.73333 29.20570 14.31140 75.77921 20.46298 -46.57350      24.97098 
1 1 1 -29 15 10 o 73.52765 17.98685 83.16241       36.68419 122.2615      83.82507 73.90038       40.79847 79.86972 29.49303 67.18558 20.59779 12.68414       35.97371 
1 1 1 -29 15 11 o 117.5980 12.95066 198.8725       41.00861 0.000000      0.000000 198.8725       41.00861 ?        ?        117.5980 12.95066 ?              ?        
1 1 1 -29 15 12 o 127.0130 7.542004 222.5199       24.69620 212.9868      30.52018 240.6004       42.03136 123.8324 9.153126 130.1937 11.98948 -6.361275      15.08401 
1 1 1 -29 15 13 o 37.12785 11.81157 -8.295526      23.69013 -6.475621     29.22312 -11.78419      40.46056 34.71044 15.46384 39.54525 17.85840 -4.834812      23.62314 
1 1 1 -29 15 14 o 42.54040 12.70448 -8.900301      25.50437 -34.48424     31.54498 39.39058       43.33902 30.02854 14.28174 55.05226 21.01541 -25.02372      25.40896 
1 1 1 -29 15 15 o 61.41061 12.72527 60.02262       26.99951 93.54617      33.48607 -2.264078      45.64433 78.68133 16.33984 44.13988 19.51254 34.54144       25.45054 
1 1 1 -29 15 16 o 53.53986 13.20668 42.39836       23.97548 53.12553      28.56711 16.83954       44.09549 58.94961 17.03689 48.13011 20.18440 10.81950       26.41336 
1 1 1 -29 15 17 o 148.9767 8.037177 342.3580       29.05325 425.1932      37.42446 216.7144       46.09120 175.6071 7.914621 122.3463 13.99084 53.26076       16.07435 
1 1 1 -29 15 18 o 83.71455 12.87677 120.1975       27.77823 143.6630      34.25118 75.10152       47.48213 100.0058 12.71941 67.42329 22.39334 32.58254       25.75355 
1 1 1 -29 15 19 o 166.9258 7.630605 414.3069       32.14895 478.2509      41.32404 316.2685       51.16825 185.7568 8.261799 148.0949 12.83149 37.66194       15.26121 
1 1 1 -29 15 20 o 55.62823 14.52058 35.13409       29.24796 9.573607      36.46898 81.21115       48.96451 42.30228 18.07271 68.95419 22.73248 -26.65192      29.04115 
1 1 1 -29 15 21 o 66.72263 12.76335 72.50330       28.62794 123.7668      38.59472 9.796135       42.68572 88.95951 16.72609 44.48576 19.28343 44.47375       25.52670 
1 1 1 -29 15 22 o 65.52710 13.10833 72.08660       28.69026 116.9991      38.66982 17.09166       42.79074 85.23087 17.43740 45.82334 19.57677 39.40753       26.21666 
1 1 1 -29 15 23 o 38.88177 12.41068 -23.81960      30.29683 28.17524      43.04748 -74.85316      42.64770 48.13555 20.04540 29.62800 14.63837 18.50755       24.82136 
1 1 1 -29 15 24 o 57.37563 14.68835 59.09157       29.70278 77.48697      43.26439 42.69077       40.85154 63.68881 21.37970 51.06245 20.14694 12.62637       29.37670 
1 1 1 -29 15 25 o 37.59024 12.45061 -11.92589      31.98099 -29.16993     47.65304 2.205933       43.13901 35.76775 17.15770 39.41272 18.04671 -3.644970      24.90122 
1 1 1 -29 15 26 o 44.72473 13.99534 25.69464       33.84521 8.150261      52.96733 37.80101       43.99933 42.31577 19.59816 47.13370 19.98475 -4.817928      27.99067 
1 1 1 -29 17 5  o 34.20657 11.19384 -11.69496      25.74859 -49.86290     42.05894 11.18547       32.56425 30.67214 15.03156 37.74101 16.59098 -7.068871      22.38769 
1 1 1 -29 17 6  o 50.94609 13.71621 48.71170       25.66619 52.29438      41.14503 46.42955       32.83863 51.78082 20.28490 50.11137 18.46782 1.669456       27.43242 
1 1 1 -29 17 7  o 41.26015 12.05042 3.917471       25.67537 -45.21064     36.64462 51.29353       35.98526 29.45128 14.34556 53.06903 19.36635 -23.61775      24.10084 
1 1 1 -29 17 8  o 72.89766 16.46593 113.0899       37.51022 86.02385      75.32855 122.0140       43.25426 62.99588 26.39816 82.79943 19.68871 -19.80355      32.93187 
1 1 1 -29 17 9  o 64.61985 12.28038 53.16073       25.03860 9.154451      30.87551 137.6945       42.79292 38.51446 16.54623 90.72524 18.15084 -52.21078      24.56075 
1 1 1 -29 17 10 o 60.98226 11.86900 66.64080       24.45932 98.60673      30.30217 6.871781       41.43509 79.62720 14.67346 42.33731 18.65963 37.28989       23.73799 
1 1 1 -29 17 11 o 33.27156 11.01527 -23.67352      24.92486 -10.72102     32.33005 -42.65236      39.13493 34.41081 15.70568 32.13231 15.44917 2.278503       22.03055 
1 1 1 -29 17 12 o 39.79836 11.94327 2.310342       22.70992 -16.52768     29.32489 30.53608       35.89561 31.51032 14.58973 48.08641 18.91314 -16.57609      23.88654 
1 1 1 -29 17 13 o 49.22784 12.68565 35.95623       22.76037 47.36493      27.81360 12.83035       39.59937 54.59979 17.05158 43.85590 18.78688 10.74389       25.37131 
1 1 1 -29 17 14 f 42.60051 12.79658 13.25385       23.65673 12.94877      27.96031 14.02244       44.37978 39.31813 16.24598 45.88289 19.77569 -6.564758      25.59315 
1 1 1 -29 17 15 o 149.3026 7.904261 331.0932       28.96781 351.8726      35.27933 288.0923       50.75073 158.8504 8.247999 139.7548 13.48628 19.09564       15.80852 
1 1 1 -29 17 16 o 89.89723 13.06503 150.9769       27.96861 175.6507      32.90437 86.73806       53.09275 110.6518 11.04363 69.14267 23.68160 41.50913       26.13006 
1 1 1 -29 17 17 o 108.2238 11.76973 197.4142       28.44142 219.3859      34.07477 146.9470       51.64220 124.1146 10.19593 92.33310 21.21673 31.78146       23.53947 
1 1 1 -29 17 18 o 53.19321 14.37236 35.18850       27.50964 17.83957      33.28291 72.59702       48.87314 42.70689 17.69195 63.67954 22.65511 -20.97265      28.74472 
1 1 1 -29 17 19 o 40.38267 12.72284 -0.6122096     28.95078 17.97516      36.29604 -33.11882      47.99943 43.44895 18.27157 37.31639 17.70968 6.132553       25.44569 
1 1 1 -29 17 20 o 38.76078 12.51632 -6.840570      29.21840 2.109087      38.86111 -18.47925      44.31633 39.74314 17.75987 37.77842 17.64144 1.964718       25.03265 
1 1 1 -29 17 21 o 62.12034 13.19283 65.14671       29.02612 119.0752      40.78795 9.814470       41.31540 82.42841 18.79407 41.81227 18.51987 40.61613       26.38565 
1 1 1 -29 17 22 o 50.38249 14.47150 43.70041       30.68659 56.43499      45.73835 33.27580       41.38262 53.96333 21.30953 46.80166 19.58573 7.161663       28.94299 
1 1 1 -29 17 23 o 119.1353 10.28274 231.0325       32.90322 253.2085      48.35843 211.9164       44.89835 124.6225 14.41094 113.6480 14.67186 10.97454       20.56547 
1 1 1 -29 19 9  o 30.25162 10.27318 -26.43674      23.18739 -29.94706     29.22673 -20.47447      38.09018 27.38486 13.21290 33.11837 15.73443 -5.733517      20.54636 
1 1 1 -29 19 10 o 99.51265 10.00356 162.0937       24.03996 166.0162      29.48673 154.3185       41.51508 105.4027 10.38943 93.62263 17.09808 11.78004       20.00711 
1 1 1 -29 19 11 o 44.83241 12.98845 28.96401       23.57339 21.32505      28.58979 45.18663       41.66337 40.05975 16.47673 49.60506 20.08274 -9.545315      25.97689 
1 1 1 -29 19 12 o 48.37436 12.75085 41.62898       24.24624 56.22935      29.41904 10.70944       42.81176 55.61834 17.56204 41.13037 18.49084 14.48796       25.50170 
1 1 1 -29 19 13 o 54.19954 21.66565 57.44434       47.82420 0.000000      0.000000 57.44434       47.82420 ?        ?        54.19954 21.66565 ?              ?        
1 1 1 -29 19 14 o 49.80332 14.12230 38.89497       27.21400 28.67137      32.99767 60.63724       48.12090 44.20432 17.88086 55.40233 21.86394 -11.19801      28.24459 
1 1 1 -29 19 15 o 88.33038 13.03491 151.6195       29.01297 176.7009      35.61588 102.1458       50.02131 107.5312 12.30058 69.12952 22.98546 38.40172       26.06982 
1 1 1 -29 19 16 o 56.77538 15.12219 63.67394       30.55561 60.26978      37.56013 70.33533       52.54181 55.99701 19.86723 57.55375 22.80386 -1.556740      30.24439 
1 1 1 -29 19 17 o 33.61254 11.49657 -34.87305      30.54468 -33.92390     38.39358 -36.50964      50.41499 31.48952 15.18080 35.73556 17.26927 -4.246033      22.99314 
1 1 1 -29 19 18 o 69.03410 15.55637 101.6167       32.23857 98.97923      41.03365 105.8702       52.11063 70.28773 20.44903 67.78046 23.44865 2.507271       31.11273 
1 1 1 -29 19 19 o 44.81330 13.84942 27.42807       31.59375 22.30005      43.08302 33.39395       46.46954 43.23633 19.04296 46.39027 20.11447 -3.153946      27.69885 
1 1 1 -29 19 20 o 55.45351 15.65598 71.33327       39.35675 7.991583      83.96563 89.16793       44.55425 46.92353 22.57801 63.98349 21.69499 -17.05996      31.31196 
1 1 1 -28 0  1  o 39.93338 17.37552 22.18789       36.77323 9.548168      52.94405 33.96919       51.11459 36.91822 23.64234 42.94854 25.46910 -0.000000      0.000000 
1 1 1 -28 0  2  o 132.5315 12.74375 261.3322       42.80019 296.5166      64.18253 233.1566       57.43519 141.0830 17.64131 123.9800 18.39557 -0.000000      0.000000 
1 1 1 -28 0  3  o 107.4819 20.21704 191.2898       51.90644 263.3176      75.86099 127.8832       71.17632 133.2993 23.25417 81.66453 33.07805 -0.000000      0.000000 
1 1 1 -28 0  4  o 100.1301 18.33592 187.6127       47.44428 79.08297      69.14494 284.1701       65.21968 60.33112 31.86393 139.9291 18.15251 -0.000000      0.000000 
1 1 1 -28 0  5  o 447.4827 8.007782 2720.792       96.31122 2804.416      138.4919 2642.472       134.0271 454.1424 11.34126 440.8230 11.30814 -0.000000      0.000000 
1 1 1 -28 0  6  o 439.2914 7.898629 2618.749       93.26804 2702.242      133.4674 2539.065       130.3883 446.1590 11.12533 432.4237 11.21519 -0.000000      0.000000 
1 1 1 -28 0  7  o 54.26970 16.81687 35.31873       38.77464 114.9381      52.64221 -59.10638      57.32824 80.32531 27.19000 28.21408 19.79728 -0.000000      0.000000 
1 1 1 -28 0  8  o 24.88270 12.50654 -75.01733      34.99083 -118.8223     48.72279 -28.36180      50.28310 20.00481 14.62487 29.76058 20.29206 -0.000000      0.000000 
1 1 1 -28 0  9  o 256.0931 7.048846 887.9572       47.78925 875.0383      62.46979 906.1848       74.20311 254.0133 9.160378 258.1730 10.71599 -0.000000      0.000000 
1 1 1 -28 0  10 o 50.68696 17.28715 52.14601       30.82954 70.79957      38.55017 19.04733       51.35122 61.25259 24.25984 40.12133 24.63416 -0.000000      0.000000 
1 1 1 -28 0  11 o 265.4519 6.599615 960.1686       46.12950 979.6326      60.01961 932.0773       72.10425 268.9691 8.305119 261.9348 10.25888 -0.000000      0.000000 
1 1 1 -28 0  12 o 123.4024 10.89666 223.0512       32.25193 241.7851      40.93004 192.3673       52.38214 132.1078 11.71822 114.6970 18.37476 -0.000000      0.000000 
1 1 1 -28 0  13 o 268.0888 6.376385 967.8288       45.46546 931.0597      59.77303 1018.307       70.03523 262.1693 8.487353 274.0083 9.518296 -0.000000      0.000000 
1 1 1 -28 0  14 o 299.9512 6.351530 1220.719       51.10099 1268.217      71.12066 1170.028       73.47211 306.0757 8.645059 293.8266 9.307562 -0.000000      0.000000 
1 1 1 -28 0  15 o 71.75321 17.47656 93.62258       31.90350 116.5724      44.37439 69.06641       45.90105 84.79289 22.49451 58.71353 26.75290 -0.000000      0.000000 
1 1 1 -28 0  16 o 45.59814 17.85123 37.89922       33.63079 17.79648      49.80894 54.74255       45.59250 39.33575 24.20355 51.86053 26.24604 -0.000000      0.000000 
1 1 1 -28 0  17 o 34.78494 15.65543 5.231369       32.33803 11.19508      44.82216 -1.242914      46.70147 36.00510 22.51147 33.56479 21.76245 -0.000000      0.000000 
1 1 1 -28 0  18 o 84.77641 16.59451 119.8216       32.77373 130.5686      44.16592 106.6517       48.89163 91.84569 20.43721 77.70712 26.15018 -0.000000      0.000000 
1 1 1 -28 0  19 o 74.97185 19.91213 104.2813       37.54803 105.7147      51.07883 102.5961       55.38391 76.42753 27.22120 73.51617 29.06849 -0.000000      0.000000 
1 1 1 -28 0  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  21 o 142.8445 13.66947 293.9541       48.21551 293.0718      61.58094 295.3517       77.50816 143.8454 16.45588 141.8435 21.83166 -0.000000      0.000000 
1 1 1 -28 0  22 o 143.9869 12.87424 289.1052       46.93369 242.6347      61.07024 356.1498       73.35384 129.4087 18.65178 158.5652 17.75094 -0.000000      0.000000 
1 1 1 -28 0  23 o 64.45894 20.42319 89.77335       44.19573 119.4781      54.94212 35.31235       74.39346 80.48098 28.04422 48.43689 29.69761 -0.000000      0.000000 
1 1 1 -28 0  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  26 f 34.19519 16.53085 -29.83967      43.00070 -40.30169     52.16010 -7.645380      75.97160 28.19811 19.58132 40.19227 26.63922 -0.000000      0.000000 
1 1 1 -28 0  27 o 76.16948 15.78140 117.9901       36.95546 181.5204      48.45599 29.66102       57.13590 109.7660 17.79761 42.57291 26.06637 -0.000000      0.000000 
1 1 1 -28 0  28 o 58.69105 18.84782 75.28514       36.80809 99.96935      47.09965 36.55738       58.99557 72.41427 26.28464 44.96783 27.01997 -0.000000      0.000000 
1 1 1 -28 0  29 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  30 o 69.76000 21.96700 68.62162       45.22361 19.51286      51.73513 227.7034       93.11428 37.57284 23.78156 101.9472 36.94094 -0.000000      0.000000 
1 1 1 -28 0  31 o 44.31340 18.84553 46.11195       42.83468 63.48965      52.80056 12.65785       73.26004 49.51558 27.28635 39.11123 26.00138 -0.000000      0.000000 
1 1 1 -28 0  32 o 33.39555 16.19193 -9.193448      44.82806 -31.83018     57.96062 24.50569       70.71891 28.39813 19.92203 38.39298 25.53090 -0.000000      0.000000 
1 1 1 -28 2  1  o 132.6828 8.079148 249.4866       28.46632 220.9517      42.17773 273.3582       38.57764 125.1153 12.51957 140.2504 10.21523 -15.13506      16.15830 
1 1 1 -28 2  2  o 225.8147 5.895359 693.1819       35.46004 750.9120      55.10400 652.3785       46.32656 233.5126 8.763740 218.1168 7.887831 15.39580       11.79072 
1 1 1 -28 2  3  o 57.92858 15.75537 27.84552       36.39001 -3.407411     53.53593 54.68714       49.61403 50.19123 21.67610 65.66592 22.87079 -15.47469      31.51073 
1 1 1 -28 2  4  o 45.30289 14.16909 -20.43151      34.92438 10.69540      51.63018 -46.68795      47.41914 52.25592 21.87323 38.34986 18.01706 13.90606       28.33818 
1 1 1 -28 2  5  o 312.8855 5.251353 1329.334       44.21941 1342.322      63.70128 1317.256       61.43182 314.3226 7.526433 311.4484 7.325274 2.874207       10.50271 
1 1 1 -28 2  6  o 331.8885 5.177767 1491.388       46.25809 1535.238      65.48135 1447.705       65.35648 336.7841 7.220756 326.9928 7.422789 9.791321       10.35553 
1 1 1 -28 2  7  o 326.5705 7.381624 1444.119       64.91009 0.000000      0.000000 1444.119       64.91009 ?        ?        326.5705 7.381624 ?              ?        
1 1 1 -28 2  8  o 94.02063 10.39957 121.4409       26.32244 121.7185      36.86734 121.1522       37.59441 94.15113 14.54229 93.89012 14.87031 0.2610092      20.79915 
1 1 1 -28 2  9  o 168.6415 5.977121 385.6546       27.08759 394.2415      37.40169 376.1821       39.28279 170.6544 8.139362 166.6286 8.755267 4.025803       11.95424 
1 1 1 -28 2  10 o 121.5088 7.658749 200.8864       24.96252 223.6194      35.64491 179.0067       34.96946 128.3153 10.31658 114.7022 11.32228 13.61305       15.31750 
1 1 1 -28 2  11 o 202.3894 4.923795 553.7450       26.83287 556.9859      38.02935 550.5319       37.86599 202.9798 6.957973 201.7991 6.968619 1.180710       9.847590 
1 1 1 -28 2  12 o 40.19136 11.93479 0.6816742      22.30025 15.86051      32.72121 -12.48325      30.47329 45.29937 17.98080 35.08335 15.69866 10.21603       23.86958 
1 1 1 -28 2  13 o 155.1936 5.791335 326.0908       24.19515 326.8599      34.62255 325.3568       33.82559 155.3632 8.276135 155.0240 8.103321 0.3391724      11.58267 
1 1 1 -28 2  14 o 55.72215 12.64435 41.87119       21.81142 31.90477      31.52820 51.01939       30.20626 51.27839 18.20121 60.16592 17.55659 -8.887531      25.28869 
1 1 1 -28 2  15 o 46.68188 11.63949 16.91093       21.36054 -17.71251     30.59585 49.83433       29.83525 33.84959 15.38319 59.51418 17.47194 -25.66459      23.27899 
1 1 1 -28 2  16 o 33.65566 10.85685 -26.91108      22.96903 -54.93026     33.77215 -2.795743      31.33125 28.97127 14.03268 38.34006 16.57012 -9.368790      21.71370 
1 1 1 -28 2  17 o 142.7141 6.509511 276.2572       25.00143 287.1726      35.40776 265.4038       35.30719 145.5450 9.034783 139.8831 9.373775 5.661880       13.01902 
1 1 1 -28 2  18 o 51.83129 13.73864 28.61564       25.88780 27.74552      37.80929 29.38358       35.51965 51.96187 19.67837 51.70071 19.17713 0.2611542      27.47727 
1 1 1 -28 2  19 o 46.88365 13.07434 10.08654       26.74450 -24.70671     39.87332 38.54085       36.05860 38.18160 17.43264 55.58570 19.48992 -17.40410      26.14869 
1 1 1 -28 2  20 o 26.14955 13.12009 -140.7706      28.54159 -115.6107     40.19342 -166.3619      40.53658 26.14955 13.12009 ?        ?        ?              ?        
1 1 1 -28 2  21 o 184.8778 6.959199 464.8857       34.63468 479.4535      49.20039 450.5751       48.76419 187.7698 9.731043 181.9857 9.951312 5.784119       13.91840 
1 1 1 -28 2  22 o 160.2340 10.02463 349.1508       43.25204 349.1508      43.25204 0.000000       0.000000 160.2340 10.02463 ?        ?        ?              ?        
1 1 1 -28 2  23 o 36.82841 12.23879 -35.34975      30.99513 -20.24119     39.63631 -59.13126      49.72803 37.41352 17.19273 36.24330 17.42304 1.170223       24.47759 
1 1 1 -28 2  24 o 73.84890 25.80556 69.68214       63.18870 0.000000      0.000000 69.68214       63.18870 ?        ?        73.84890 25.80556 ?              ?        
1 1 1 -28 2  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  26 o 36.98811 12.12939 -30.47692      29.04761 -44.22943     42.76788 -18.70026      39.57653 35.52421 16.81777 38.45202 17.48289 -2.927814      24.25879 
1 1 1 -28 2  27 o 34.63740 11.38148 -41.98884      27.40146 0.5522913     38.34394 -86.38805      39.17237 41.60789 18.15378 27.66690 13.73292 13.94099       22.76297 
1 1 1 -28 2  28 o 50.09755 13.91636 27.19118       27.50058 32.89576      39.62615 21.89076       38.19661 52.20792 20.05552 47.98718 19.29860 4.220737       27.83271 
1 1 1 -28 2  29 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  30 o 40.89203 12.98206 -6.326430      30.36709 12.42368      42.42463 -26.02657      43.48613 44.70910 19.30229 37.07496 17.36539 7.634132       25.96411 
1 1 1 -28 2  31 o 57.42229 15.01864 58.63887       31.17674 45.32719      43.81741 72.28776       44.36892 52.70373 20.84292 62.14085 21.62894 -9.437122      30.03728 
1 1 1 -28 2  32 o 60.41172 14.82829 77.15307       33.13716 35.08174      49.52172 111.2639       44.59116 47.31713 20.63817 73.50632 21.29739 -26.18919      29.65658 
1 1 1 -28 4  1  o 73.66113 13.97236 85.04395       28.18568 86.83254      42.08759 83.58949       37.95337 74.08708 20.43439 73.23518 19.06156 0.8518982      27.94472 
1 1 1 -28 4  2  o 232.2445 5.940411 743.1703       36.57990 697.3360      55.84146 777.6223       48.41360 225.5826 9.193221 238.9063 7.525863 -13.32370      11.88082 
1 1 1 -28 4  3  o 76.12535 15.38215 89.13443       36.68721 35.14872      54.85033 132.8382       49.35137 58.44928 23.25489 93.80143 20.14080 -35.35215      30.76430 
1 1 1 -28 4  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  5  o 289.4869 5.599204 1160.408       43.62355 1186.824      62.91581 1135.951       60.53885 292.5872 7.985848 286.3867 7.850513 6.200531       11.19841 
1 1 1 -28 4  6  o 240.0347 5.461345 778.4238       35.23040 849.5236      51.21849 714.5759       48.53626 250.4336 7.595403 229.6358 7.849523 20.79776       10.92269 
1 1 1 -28 4  7  o 317.8408 5.177747 1364.548       44.25896 1437.218      64.54485 1300.053       60.80563 325.8008 7.357429 309.8808 7.287284 15.91995       10.35549 
1 1 1 -28 4  8  o 198.4979 6.035592 534.8890       32.21705 567.7597      45.64676 502.2620       45.47730 204.6223 8.284641 192.3736 8.779420 12.24864       12.07118 
1 1 1 -28 4  9  o 69.60567 13.76288 69.12035       26.82033 62.11971      36.85925 76.99767       39.09912 66.13519 19.42124 73.07614 19.50597 -6.940956      27.52576 
1 1 1 -28 4  10 o 195.5333 5.541373 518.0794       29.12218 531.4404      40.31267 503.4959       42.11647 198.2088 7.553273 192.8577 8.110200 5.351135       11.08275 
1 1 1 -28 4  11 o 248.1379 4.916426 827.0739       32.73703 896.8821      48.81861 770.0308       44.12994 257.5811 7.038629 238.6947 6.866054 18.88643       9.832852 
1 1 1 -28 4  12 o 389.0405 5.080898 2042.271       53.11159 2108.297      78.16889 1985.652       72.38623 394.8298 7.352595 383.2512 7.014376 11.57861       10.16180 
1 1 1 -28 4  13 o 144.7032 6.599442 287.1060       25.42372 253.5634      37.34071 316.0926       34.71216 136.6410 10.14888 152.7655 8.438652 -16.12444      13.19888 
1 1 1 -28 4  14 o 41.39518 11.74138 -1.375528      23.35711 -46.85905     35.78370 32.38840       30.83079 31.53910 15.05852 51.25127 18.01889 -19.71217      23.48275 
1 1 1 -28 4  15 o 60.33912 13.10301 50.66162       24.03581 33.54271      35.78550 64.73219       32.44327 53.43510 19.34103 67.24314 17.68274 -13.80804      26.20601 
1 1 1 -28 4  16 o 165.4715 6.044936 370.8696       26.93321 371.8301      38.24059 369.9242       37.93982 165.6814 8.571707 165.2616 8.525893 0.4197845      12.08987 
1 1 1 -28 4  17 o 148.7339 6.759502 300.9605       26.92729 264.6456      37.98318 337.6517       38.17946 139.6222 10.10307 157.8457 8.982841 -18.22346      13.51900 
1 1 1 -28 4  18 o 210.4523 5.568361 600.3394       31.42108 532.5131      44.10561 670.2375       44.77416 198.3086 8.259787 222.5960 7.470107 -24.28734      11.13672 
1 1 1 -28 4  19 o ?        ?        -184.1084      27.10155 -176.0871     39.07163 -191.5464      37.62412 ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  20 o 186.3486 6.127263 471.1310       30.73301 467.6244      42.79836 474.8642       44.15968 185.6504 8.561461 187.0469 8.767827 -1.396530      12.25453 
1 1 1 -28 4  21 o 95.37079 12.06894 115.8216       29.12886 63.66341      36.18072 211.9139       49.10892 66.66494 19.14622 124.0766 14.69897 -57.41171      24.13789 
1 1 1 -28 4  22 o 27.83741 9.833621 -108.0965      29.77187 -86.68068     37.49865 -144.6158      48.96775 27.24244 13.50759 28.43238 14.29494 -1.189934      19.66724 
1 1 1 -28 4  23 o 40.88794 13.37312 -38.57164      36.35944 -4.499787     46.88251 -89.99316      57.59510 44.92804 19.82248 36.84785 17.95636 8.080193       26.74624 
1 1 1 -28 4  24 o 674.8871 11.13026 6177.579       202.2645 6177.579      202.2645 0.000000       0.000000 674.8871 11.13026 ?        ?        ?              ?        
1 1 1 -28 4  25 o 34.96732 17.07427 -75.27650      52.82291 0.000000      0.000000 -75.27650      52.82291 ?        ?        34.96732 17.07427 ?              ?        
1 1 1 -28 4  26 o 50.89747 14.03822 18.73634       30.46976 53.17006      42.44753 -17.86658      43.76413 61.12076 21.16213 40.67418 18.45131 20.44658       28.07644 
1 1 1 -28 4  27 o 60.43219 14.03070 54.27732       26.77866 68.34215      38.51515 41.11592       37.25763 66.30149 19.94720 54.56290 19.73706 11.73859       28.06140 
1 1 1 -28 4  28 o 41.26993 12.48282 -9.281916      26.43925 31.59648      40.01366 -40.95988      35.22411 51.39734 20.04005 31.14251 14.88890 20.25483       24.96563 
1 1 1 -28 4  29 o 36.36853 12.01739 -29.53512      29.50900 -46.97262     41.89853 -12.37208      41.56751 33.45969 16.06057 39.27737 17.88096 -5.817684      24.03478 
1 1 1 -28 4  30 o 68.10529 14.10039 79.11182       30.66932 35.59983      43.70584 121.3230       43.04760 51.13691 20.61594 85.07367 19.24233 -33.93676      28.20078 
1 1 1 -28 4  31 o 44.87737 13.73814 19.48475       31.02013 32.44326      42.73325 5.050696       45.10061 47.92117 19.96546 41.83357 18.87662 6.087597       27.47628 
1 1 1 -28 4  32 o 46.29507 14.22195 33.01848       32.95824 36.79696      47.66449 29.55680       45.62253 47.27518 20.43478 45.31495 19.78573 1.960239       28.44390 
1 1 1 -28 6  1  o 117.8937 9.564933 201.5844       29.45785 175.0229      45.52570 220.7150       38.63633 110.1875 15.34408 125.5998 11.42414 -15.41230      19.12987 
1 1 1 -28 6  2  o 47.44002 13.71822 17.78133       26.63082 27.89136      45.43438 12.49011       32.86899 52.25570 21.03629 42.62434 17.61343 9.631363       27.43645 
1 1 1 -28 6  3  o 65.12708 14.72378 62.12074       28.96192 75.15343      44.71398 52.70129       38.01362 70.05031 21.57813 60.20384 20.03854 9.846466       29.44756 
1 1 1 -28 6  4  o 215.3417 9.200738 629.4995       53.34996 0.000000      0.000000 629.4995       53.34996 ?        ?        215.3417 9.200738 ?              ?        
1 1 1 -28 6  5  o 133.0852 14.66995 241.7295       52.57047 0.000000      0.000000 241.7295       52.57047 ?        ?        133.0852 14.66995 ?              ?        
1 1 1 -28 6  6  o 154.1030 7.715201 337.6102       31.96529 349.7141      46.78255 327.0111       43.77834 156.5423 11.09862 151.6638 10.71998 4.878464       15.43040 
1 1 1 -28 6  7  o 146.7395 7.622932 293.1364       30.09583 309.3110      43.44112 278.2080       41.73404 150.6384 10.70982 142.8407 10.85063 7.797638       15.24586 
1 1 1 -28 6  8  o 123.2225 8.934348 207.3641       29.53780 184.1339      40.81551 232.9091       42.80067 115.9206 13.07619 130.5243 12.17800 -14.60364      17.86870 
1 1 1 -28 6  9  o 151.7149 7.413305 313.2762       30.25219 334.0959      43.37585 293.5569       42.21393 156.6526 10.28317 146.7771 10.68105 9.875488       14.82661 
1 1 1 -28 6  10 o 66.43524 14.52817 62.15301       28.60755 62.93945      41.47462 61.43926       39.51113 66.88071 20.81165 65.98977 20.27672 0.8909454      29.05633 
1 1 1 -28 6  11 o 185.1677 6.134941 467.6943       30.37215 433.6367      44.63766 497.0545       41.44520 178.7610 9.273538 191.5745 8.034393 -12.81357      12.26988 
1 1 1 -28 6  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  13 o 212.2818 5.459278 611.3647       31.12145 572.3667      44.62398 648.2957       43.42524 205.6257 8.059490 218.9380 7.366103 -13.31230      10.91856 
1 1 1 -28 6  14 o 275.5482 4.950018 1019.117       36.57445 903.9543      49.57725 1156.638       54.17636 258.5699 7.120672 292.5263 6.877990 -33.95639      9.900036 
1 1 1 -28 6  15 o 235.2311 7.447564 748.4628       47.17289 0.000000      0.000000 748.4628       47.17289 ?        ?        235.2311 7.447564 ?              ?        
1 1 1 -28 6  16 o 197.8041 6.129939 532.5132       32.03109 406.1422      44.32453 670.6398       46.34030 173.0021 9.515013 222.6060 7.731050 -49.60394      12.25988 
1 1 1 -28 6  17 o 33.21755 11.16927 -67.69776      28.61675 -117.0303     40.10465 -16.52468      40.84594 25.98937 13.04884 40.44573 18.13115 -14.45636      22.33855 
1 1 1 -28 6  18 o 101.0158 15.40229 140.7479       41.89457 140.7479      41.89457 0.000000       0.000000 101.0158 15.40229 ?        ?        ?              ?        
1 1 1 -28 6  19 o 159.8368 6.789971 339.5181       28.87368 296.6273      37.49173 402.0380       45.26498 147.7380 9.424531 171.9356 9.777169 -24.19759      13.57994 
1 1 1 -28 6  20 o 52.90194 14.14246 27.72024       26.19121 22.46286      31.86922 38.65989       45.97150 47.29706 18.02928 58.50683 21.79409 -11.20977      28.28493 
1 1 1 -28 6  21 o 105.7845 10.25845 154.8240       28.58003 155.0340      36.82537 154.5060       45.32091 106.1724 12.88108 105.3967 15.96938 0.7756577      20.51691 
1 1 1 -28 6  22 o 92.97979 13.99080 152.1761       35.13931 205.3845      44.77887 66.89298       56.69111 119.6937 13.89372 66.26591 24.28857 53.42776       27.98161 
1 1 1 -28 6  23 o 574.0927 10.04194 4463.998       155.2327 0.000000      0.000000 4463.998       155.2327 ?        ?        574.0927 10.04194 ?              ?        
1 1 1 -28 6  24 o 103.0405 13.44701 132.4350       40.16594 15.34214      50.23164 340.0436       66.88596 51.49205 21.56606 154.5890 16.06841 -103.0970      26.89403 
1 1 1 -28 6  25 o 43.53045 12.87638 -17.60385      30.58147 38.44970      40.75731 -89.81831      46.26110 55.52311 20.55284 31.53778 15.51727 23.98533       25.75277 
1 1 1 -28 6  26 o 47.47146 13.54812 13.20858       28.05909 44.51388      42.01267 -11.99930      37.69984 56.69909 20.88982 38.24383 17.25750 18.45525       27.09623 
1 1 1 -28 6  27 o 99.20468 10.48491 141.2361       27.86302 140.8738      41.46652 141.5343       37.62196 98.76512 15.59231 99.64423 14.02187 -0.8791122     20.96981 
1 1 1 -28 6  28 o 124.1829 8.854338 220.1975       29.50677 246.6766      43.40101 197.4392       40.23621 131.2342 12.28201 117.1316 12.75733 14.10267       17.70868 
1 1 1 -28 6  29 o 51.21329 14.16393 31.61665       29.28620 56.04445      42.95640 10.40170       40.03195 58.85566 21.20747 43.57093 18.78061 15.28473       28.32787 
1 1 1 -28 6  30 o 58.35777 13.87470 55.13563       31.13478 -2.228082     47.45876 98.47832       41.25301 42.10554 19.14436 74.60999 20.08788 -32.50444      27.74941 
1 1 1 -28 6  31 o 59.40447 14.48442 71.31674       32.49379 23.35162      50.22913 105.8360       42.61116 45.52341 20.27794 73.28553 20.68815 -27.76212      28.96885 
1 1 1 -28 8  1  o 124.8342 8.406965 220.7505       28.04224 222.3839      42.36660 219.4771       37.40977 124.8569 12.60165 124.8114 11.13133 0.4547882E-01  16.81393 
1 1 1 -28 8  2  o 69.32176 13.29978 78.42802       28.06602 31.49608      44.68655 109.0009       36.06709 53.18953 21.04431 85.45400 16.26881 -32.26447      26.59957 
1 1 1 -28 8  3  o 59.01753 13.39183 49.92760       28.33661 -2.317208     45.18327 83.79800       36.38030 44.21608 19.48662 73.81899 18.37487 -29.60292      26.78365 
1 1 1 -28 8  4  o 51.27063 14.15977 25.42225       28.25909 41.47511      43.55415 13.75111       37.13727 57.04860 21.22075 45.49265 18.75302 11.55595       28.31954 
1 1 1 -28 8  5  o 125.7978 11.30033 235.9961       34.57252 147.5676      50.41153 314.5176       47.50378 100.3494 19.35802 151.2462 11.66434 -50.89679      22.60066 
1 1 1 -28 8  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 8  7  o 125.4408 14.14867 220.0977       47.79009 0.000000      0.000000 220.0977       47.79009 ?        ?        125.4408 14.14867 ?              ?        
1 1 1 -28 8  8  o 235.7016 5.665533 758.4796       35.93136 791.9886      51.98578 727.8290       49.71919 240.6746 8.021782 230.7285 8.002752 9.946106       11.33107 
1 1 1 -28 8  9  o 129.9821 8.886526 231.1212       31.07719 244.2318      44.39547 218.5242       43.51725 133.6333 12.33788 126.3309 12.79289 7.302429       17.77305 
1 1 1 -28 8  10 o 253.4675 5.606045 863.9738       38.08878 940.0891      57.29373 803.6923       50.98745 263.3645 8.079166 243.5705 7.774191 19.79398       11.21209 
1 1 1 -28 8  11 o 156.8687 7.554693 330.5089       31.67425 388.8431      48.05460 285.6965       42.11841 168.9542 10.56289 144.7831 10.80366 24.17113       15.10939 
1 1 1 -28 8  12 o 186.9630 6.772245 462.8145       33.62347 581.8647      52.36201 379.2823       43.86098 206.9231 9.397751 167.0028 9.753742 39.92033       13.54449 
1 1 1 -28 8  13 o 172.9764 7.011438 401.8608       32.43002 472.5113      48.90432 346.4074       43.32653 186.4050 9.743306 159.5478 10.08509 26.85719       14.02288 
1 1 1 -28 8  14 o 126.3389 9.273412 214.7806       31.23255 260.9595      47.78197 180.3322       41.26927 138.0219 12.85679 114.6558 13.36741 23.36607       18.54682 
1 1 1 -28 8  15 o 151.6446 10.85741 313.4721       44.33397 0.000000      0.000000 313.4721       44.33397 ?        ?        151.6446 10.85741 ?              ?        
1 1 1 -28 8  16 o 141.6755 8.867879 277.8393       33.39868 318.9917      46.41980 233.6718       48.09020 152.8988 11.27498 130.4522 13.69058 22.44667       17.73576 
1 1 1 -28 8  17 o 163.1985 7.365907 358.9311       31.78481 343.8839      40.86066 381.9880       50.57977 159.0603 9.540257 167.3367 11.22541 -8.276382      14.73181 
1 1 1 -28 8  18 o 111.3867 9.688917 160.1499       27.76617 138.5879      33.76159 205.2140       48.80831 100.6695 12.45494 122.1038 14.84503 -21.43432      19.37783 
1 1 1 -28 8  19 o 104.0233 11.45968 152.4463       28.83565 153.0172      34.81777 151.1996       51.45081 105.7214 12.23079 102.3252 19.38312 3.396225       22.91937 
1 1 1 -28 8  20 o 133.8815 10.47797 295.3422       31.52835 375.5714      40.27520 168.3614       50.66877 164.2487 9.106520 103.5142 18.87387 60.73446       20.95595 
1 1 1 -28 8  21 o ?        ?        -278.2799      57.65884 0.000000      0.000000 -278.2799      57.65884 ?        ?        ?        ?        ?              ?        
1 1 1 -28 8  22 o 582.8254 10.35916 4602.896       162.5722 4602.896      162.5722 0.000000       0.000000 582.8254 10.35916 ?        ?        ?              ?        
1 1 1 -28 8  23 o 33.59528 16.67368 -119.2802      57.68187 0.000000      0.000000 -119.2802      57.68187 ?        ?        33.59528 16.67368 ?              ?        
1 1 1 -28 8  24 f 61.91174 12.75390 35.15747       30.31311 115.2784      43.76722 -38.70932      42.02430 87.76812 19.06501 36.05536 16.94618 51.71276       25.50780 
1 1 1 -28 8  25 o 87.08748 12.76625 116.5807       28.85442 110.3138      42.66860 121.8617       39.16834 84.19212 19.24162 89.98284 16.78298 -5.790718      25.53250 
1 1 1 -28 8  26 o 65.67780 12.98916 60.12785       25.69371 104.8399      39.49924 27.33158       33.82895 82.92837 18.18938 48.42723 18.54777 34.50114       25.97832 
1 1 1 -28 8  27 o 74.59743 13.59547 88.21970       27.23976 96.92020      41.95246 81.87805       35.81673 77.34711 19.99638 71.84776 18.42531 5.499344       27.19094 
1 1 1 -28 8  28 o 92.20073 12.23812 143.2328       29.24918 64.19167      42.40194 214.9858       40.39982 62.36610 21.16440 122.0354 12.29449 -59.66925      24.47623 
1 1 1 -28 8  29 o 60.10289 13.11500 56.66366       30.01290 -12.95723     46.08472 107.9403       39.55003 39.98106 18.43352 80.22472 18.66060 -40.24366      26.22999 
1 1 1 -28 8  30 f 44.91451 13.83572 18.22467       31.03370 37.57184      48.39380 4.711359       40.44472 49.79115 21.02669 40.03787 17.98852 9.753277       27.67144 
1 1 1 -28 8  31 o 37.31584 12.56345 -25.53351      33.43570 17.11555      53.44702 -52.95689      42.85774 43.96777 20.11590 30.66390 15.05695 13.30387       25.12691 
1 1 1 -28 10 1  o 133.8322 7.856391 255.6358       28.02829 248.7089      42.33416 261.0418       37.39900 131.6532 11.94197 136.0111 10.21180 -4.357819      15.71278 
1 1 1 -28 10 2  o 136.0437 7.942266 261.4905       28.83972 261.5143      43.69686 261.4721       38.38797 135.6165 11.96614 136.4709 10.44652 -0.8543854     15.88453 
1 1 1 -28 10 3  o 105.3602 10.24988 157.5992       28.66034 165.9017      44.88060 151.8819       37.24317 107.2206 15.54522 103.4997 13.36361 3.720856       20.49976 
1 1 1 -28 10 4  o 49.45462 13.97602 25.22923       27.96368 27.03523      42.30235 23.82754       37.26762 50.82092 20.35474 48.08832 19.15727 2.732594       27.95204 
1 1 1 -28 10 5  o 88.84650 13.20492 118.9673       30.38957 109.5609      45.83771 126.3445       40.59327 84.88837 20.32321 92.80464 16.86554 -7.916275      26.40984 
1 1 1 -28 10 6  o 168.6277 7.715168 403.5955       35.02589 399.4109      49.78751 407.6960       49.28451 167.6691 11.02768 169.5864 10.79285 -1.917297      15.43034 
1 1 1 -28 10 7  o 33.28237 16.38406 -106.0755      51.79530 0.000000      0.000000 -106.0755      51.79530 ?        ?        33.28237 16.38406 ?              ?        
1 1 1 -28 10 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 10 9  o 70.56274 24.27911 65.69738       55.83046 0.000000      0.000000 65.69738       55.83046 ?        ?        70.56274 24.27911 ?              ?        
1 1 1 -28 10 10 o 86.42441 12.68648 125.3961       34.13575 14.83364      50.15617 220.8001       46.59120 49.39320 21.15070 123.4556 14.01553 -74.06242      25.37296 
1 1 1 -28 10 11 o 47.68745 19.76687 18.17691       41.58279 0.000000      0.000000 18.17691       41.58279 ?        ?        47.68745 19.76687 ?              ?        
1 1 1 -28 10 12 o 40.23442 12.92104 -20.28910      30.05494 -23.61843     46.81313 -17.95450      39.20098 41.71289 18.98430 38.75594 17.53309 2.956947       25.84207 
1 1 1 -28 10 13 o 116.0775 11.40858 210.0194       30.87133 112.0999      46.62479 286.4601       41.19499 87.33733 20.22423 144.8176 10.56427 -57.48031      22.81717 
1 1 1 -28 10 14 o 73.48689 14.26927 78.54005       30.63254 45.41119      43.96759 109.7892       42.70204 60.06817 21.47550 86.90560 18.79499 -26.83743      28.53855 
1 1 1 -28 10 15 o 118.5982 9.672882 193.8325       30.55813 191.8008      40.29259 196.5834       46.88392 118.0763 12.67299 119.1201 14.61690 -1.043816      19.34576 
1 1 1 -28 10 16 o 201.7416 6.468978 552.8752       33.36135 545.4192      41.05193 567.3758       57.24962 200.2175 7.614619 203.2657 10.45984 -3.048248      12.93796 
1 1 1 -28 10 17 o 118.2162 10.00159 206.1602       29.90825 210.1552      36.88549 198.4924       51.10187 121.6326 11.26217 114.7998 16.53150 6.832787       20.00317 
1 1 1 -28 10 18 o 30.84203 10.80183 -93.49354      32.52933 -76.29155     40.61720 -124.2617      54.32143 29.69918 14.59840 31.98488 15.92498 -2.285704      21.60366 
1 1 1 -28 10 19 o ?        ?        -293.9804      62.75865 0.000000      0.000000 -293.9804      62.75865 ?        ?        ?        ?        ?              ?        
1 1 1 -28 10 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 10 21 o 164.8339 13.97113 377.5677       62.00996 0.000000      0.000000 377.5677       62.00996 ?        ?        164.8339 13.97113 ?              ?        
1 1 1 -28 10 22 o 66.07189 14.27635 65.10284       29.88847 97.80354      42.01286 31.59334       42.52924 79.40185 19.73582 52.74194 20.63380 26.65991       28.55269 
1 1 1 -28 10 23 o 130.1045 8.173446 232.7719       28.14359 299.6013      42.20625 179.2665       37.76513 147.0364 10.66028 113.1726 12.39271 33.86382       16.34689 
1 1 1 -28 10 24 o 97.05583 10.98612 132.6489       26.68912 210.2309      42.07740 80.42587       34.52228 121.7646 12.83348 72.34708 17.83482 49.41752       21.97223 
1 1 1 -28 10 25 f 42.55341 12.86747 3.510752       25.78644 17.38739      40.90335 -5.641850      33.21919 47.61119 19.65926 37.49562 16.60724 10.11557       25.73494 
1 1 1 -28 10 26 o 37.97074 12.07629 -18.24206      27.00792 13.25102      39.26788 -46.51383      37.20544 44.77318 18.92592 31.16830 15.00522 13.60488       24.15258 
1 1 1 -28 10 27 o 39.63316 12.56246 -11.39248      28.88475 -38.92792     41.52401 14.42306       40.20628 34.33940 16.34726 44.92693 19.07953 -10.58754      25.12492 
1 1 1 -28 10 28 o 74.27049 14.60940 96.14850       30.07768 105.3385      45.77969 89.16856       39.89705 76.82133 21.35851 71.71966 19.93870 5.101677       29.21879 
1 1 1 -28 10 29 o 37.10173 12.34185 -18.44202      31.15270 -30.79801     50.88339 -11.03367      39.40018 37.67073 17.97797 36.53273 16.91383 1.137997       24.68369 
1 1 1 -28 10 30 o 51.68880 14.20179 45.94106       34.70773 -26.03357     55.84737 91.23304       44.30203 38.25549 18.40881 65.12212 21.63052 -26.86663      28.40359 
1 1 1 -28 12 1  o 127.1561 7.640334 234.7482       25.81047 220.9269      39.01000 245.5096       34.42205 123.0100 11.77748 131.3023 9.736009 -8.292343      15.28067 
1 1 1 -28 12 2  f 89.66246 10.74390 122.0539       25.21856 117.0805      37.02585 126.3576       34.44294 86.69223 16.46346 92.63270 13.80869 -5.940468      21.48779 
1 1 1 -28 12 3  o 90.90219 10.85653 122.0381       25.86789 140.9838      39.36930 107.6448       34.31481 97.74161 14.95873 84.06278 15.73827 13.67883       21.71305 
1 1 1 -28 12 4  o 343.1241 5.437638 1613.271       50.18959 1688.202      72.97272 1546.005       69.13987 350.6371 7.728928 335.6111 7.650836 15.02603       10.87528 
1 1 1 -28 12 5  o 157.2293 6.866834 342.1399       29.03397 337.4630      39.94128 347.3803       42.27881 156.1866 9.497185 158.2720 9.920541 -2.085403      13.73367 
1 1 1 -28 12 6  o 73.98745 14.10820 87.08595       30.18429 54.40194      43.56840 117.2528       41.85709 60.63138 21.40954 87.34352 18.37925 -26.71214      28.21640 
1 1 1 -28 12 7  o 66.08272 14.67712 65.17770       31.38266 29.59914      47.32944 93.09369       41.92410 54.14938 21.58363 78.01604 19.89518 -23.86666      29.35424 
1 1 1 -28 12 8  o 109.9117 12.17527 179.8658       34.18152 141.1445      49.74741 214.4954       47.04561 96.54010 19.80159 123.2832 14.17202 -26.74314      24.35055 
1 1 1 -28 12 9  o 67.96670 15.59783 75.50744       36.78015 25.16799      52.98717 122.3148       51.09442 51.63518 21.91438 84.29822 22.20201 -32.66304      31.19566 
1 1 1 -28 12 10 o 32.27004 16.02218 -124.5923      53.46465 0.000000      0.000000 -124.5923      53.46465 ?        ?        32.27004 16.02218 ?              ?        
1 1 1 -28 12 11 o 166.6408 13.11380 378.2636       58.84278 0.000000      0.000000 378.2636       58.84278 ?        ?        166.6408 13.11380 ?              ?        
1 1 1 -28 12 12 o 304.2579 11.08152 1487.852       69.85117 909.1225      141.5071 1674.298       80.31860 256.6312 20.47790 351.8847 8.476809 -95.25351      22.16305 
1 1 1 -28 12 13 o 392.5281 8.856871 2084.090       93.61263 0.000000      0.000000 2084.090       93.61263 ?        ?        392.5281 8.856871 ?              ?        
1 1 1 -28 12 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 12 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 12 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 12 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 12 18 o 107.5671 21.68047 174.0108       60.62676 0.000000      0.000000 174.0108       60.62676 ?        ?        107.5671 21.68047 ?              ?        
1 1 1 -28 12 19 o 27.90774 9.878040 -99.84273      30.25680 -86.28675     38.15848 -122.7991      49.65669 26.66564 13.28801 29.14984 14.61956 -2.484194      19.75608 
1 1 1 -28 12 20 o 35.08510 11.34305 -55.60679      28.02028 10.55872      38.00999 -134.3622      41.46888 45.07153 18.80834 25.09866 12.68485 19.97287       22.68610 
1 1 1 -28 12 21 o 117.5632 10.25693 207.6692       29.68054 265.8336      40.43509 139.7186       43.70456 138.3148 10.85691 96.81171 17.40534 41.50307       20.51386 
1 1 1 -28 12 22 o 111.7902 9.557495 172.4079       27.83204 245.7972      43.35173 120.9492       36.30107 131.9655 12.20008 91.61489 14.71533 40.35059       19.11499 
1 1 1 -28 12 23 o 37.03063 11.51676 -15.11980      24.82699 -65.42191     40.11731 16.10334       31.60654 30.67242 14.95561 43.38884 17.51779 -12.71642      23.03352 
1 1 1 -28 12 24 o 72.34264 12.88973 78.05700       26.24894 122.9477      40.21881 44.74689       34.64489 89.60067 17.29640 55.08460 19.11583 34.51607       25.77946 
1 1 1 -28 12 25 o 45.61004 13.32358 15.02212       27.89806 -9.277426     41.14008 35.70937       37.95924 39.81064 17.99029 51.40944 19.65757 -11.59880      26.64715 
1 1 1 -28 12 26 o 65.89221 14.97219 71.88583       31.07899 100.2657      45.96677 47.98763       42.18146 76.07684 21.49122 55.70758 20.85170 20.36926       29.94438 
1 1 1 -28 12 27 o 50.69891 14.32247 37.38472       29.73244 29.40852      44.23441 43.95816       40.15677 48.75067 20.31226 52.64715 20.19764 -3.896477      28.64494 
1 1 1 -28 12 28 o 93.46233 13.31103 145.2012       32.48606 211.0690      52.90625 105.3365       41.15899 111.6044 17.60526 75.32028 19.96972 36.28410       26.62207 
1 1 1 -28 12 29 o 49.36086 14.57300 44.03691       34.26496 12.74589      54.21679 64.84748       44.21461 43.38128 19.99864 55.34044 21.20245 -11.95917      29.14600 
1 1 1 -28 14 1  o 60.77992 13.70464 71.32378       25.95495 57.09861      39.31714 82.31113       34.55409 54.60811 20.19196 66.95174 18.53520 -12.34363      27.40928 
1 1 1 -28 14 2  o 127.6711 7.821339 239.1082       26.69348 208.6803      37.76285 269.4956       37.73773 118.8223 11.80275 136.5199 10.26589 -17.69757      15.64268 
1 1 1 -28 14 3  o 41.82652 11.99807 5.894401       23.58537 43.51365      34.46984 -27.22231      32.34132 52.63725 18.99291 31.01578 14.66573 21.62146       23.99613 
1 1 1 -28 14 4  o 53.53812 13.34569 43.71766       24.14903 50.46104      33.11398 36.05721       35.29393 56.47219 18.69812 50.60405 19.04757 5.868137       26.69138 
1 1 1 -28 14 5  o 150.5495 7.320300 319.2315       29.63723 298.7868      41.56327 340.3799       42.27246 145.4782 10.61032 155.6209 10.08803 -10.14267      14.64060 
1 1 1 -28 14 6  o 247.7377 5.705779 843.6129       37.92582 877.3829      56.47785 815.8784       51.18266 252.0523 8.321547 243.4231 7.808681 8.629227       11.41156 
1 1 1 -28 14 7  o 198.6649 6.356559 542.9503       33.74917 457.9449      46.49106 637.6495       49.07038 181.9962 9.486890 215.3337 8.462995 -33.33754      12.71312 
1 1 1 -28 14 8  o 68.65317 14.32214 65.56374       28.36037 41.32644      35.34606 109.3679       47.51784 54.32108 19.27276 82.98524 21.19094 -28.66416      28.64429 
1 1 1 -28 14 9  o 117.6115 8.980066 191.7259       27.15974 181.9218      33.41644 210.8073       46.61891 114.0614 10.88023 121.1615 14.28940 -7.100136      17.96013 
1 1 1 -28 14 10 o 43.14371 13.26924 2.297293       28.07825 3.067910      35.60099 1.029043       45.67149 41.08522 17.70997 45.20220 19.76481 -4.116978      26.53848 
1 1 1 -28 14 11 o 68.38408 13.79457 64.13930       26.76300 41.13887      33.53592 104.4778       44.41219 54.39345 18.81128 82.37470 20.18159 -27.98125      27.58914 
1 1 1 -28 14 12 o 204.0771 5.720384 556.4445       30.57555 518.8431      38.43789 621.2284       50.45350 195.1597 7.314520 212.9945 8.797099 -17.83479      11.44077 
1 1 1 -28 14 13 o 45.59611 13.32893 0.2955144      26.27655 -18.99375     32.12232 39.30820       45.68274 34.00844 15.57238 57.18378 21.63661 -23.17535      26.65787 
1 1 1 -28 14 14 o 143.2505 8.183062 291.6048       29.37933 306.8693      36.14722 261.8953       50.42913 149.7084 8.966962 136.7927 13.69100 12.91573       16.36612 
1 1 1 -28 14 15 o 128.6548 8.958632 251.6394       27.87018 299.2463      35.03537 169.5979       45.99263 147.8734 8.799001 109.4362 15.60788 38.43719       17.91726 
1 1 1 -28 14 16 o 43.14833 12.82026 8.488823       24.13756 7.545548      29.72613 10.31452       41.35553 39.88708 16.63793 46.40959 19.50938 -6.522514      25.64053 
1 1 1 -28 14 17 o 152.0114 6.663783 328.5644       26.24751 412.9831      36.27314 235.7789       38.02819 173.7376 7.753681 130.2852 10.83995 43.45236       13.32757 
1 1 1 -28 14 18 o 37.82929 11.79421 -7.392577      24.18451 9.446410      33.16698 -26.51091      35.34053 41.73452 17.50399 33.92407 15.81213 7.810452       23.58841 
1 1 1 -28 14 19 o 81.23328 11.91358 106.0356       26.63772 161.7780      36.58410 43.13602       38.86184 106.8561 12.71481 55.61046 20.15112 51.24564       23.82717 
1 1 1 -28 14 20 o 91.47807 16.92459 148.0346       35.51485 155.9560      38.14088 96.37956       97.39748 104.7368 13.52409 78.21936 31.03008 26.51743       33.84917 
1 1 1 -28 14 21 o 56.98263 12.94276 43.84120       24.63474 75.65067      35.61964 14.67583       34.10712 70.04337 18.58058 43.92189 18.02283 26.12147       25.88552 
1 1 1 -28 14 22 o 56.82570 13.62964 46.36481       26.08825 70.45320      37.72364 24.28399       36.11746 66.37388 19.68987 47.27753 18.85144 19.09635       27.25927 
1 1 1 -28 14 23 o 57.09758 14.26339 47.65419       27.48970 67.37778      42.23658 33.15883       36.20848 64.13356 21.11157 50.06161 19.18537 14.07195       28.52678 
1 1 1 -28 14 24 o 64.90036 14.27885 68.24937       29.59311 101.9874      42.46587 36.39700       41.26206 78.06573 20.08596 51.73499 20.30016 26.33074       28.55770 
1 1 1 -28 14 25 o 59.95863 13.43095 43.35679       30.68255 119.7397      45.87309 -18.47738      41.27377 82.89473 20.63302 37.02252 17.20000 45.87221       26.86190 
1 1 1 -28 14 26 o 38.22652 12.39291 -12.01273      30.15697 -45.66748     46.64907 12.15024       39.52710 34.39423 16.61883 42.05882 18.38890 -7.664589      24.78582 
1 1 1 -28 14 27 o 38.30653 12.54811 -7.751583      31.67360 -35.43229     46.95327 15.36306       42.90627 34.60935 16.71077 42.00372 18.72353 -7.394367      25.09622 
1 1 1 -28 16 2  f 75.80539 12.21459 103.1710       24.34787 104.3240      35.44728 102.1411       33.50125 75.69878 17.70594 75.91199 16.83105 -0.2132111     24.42917 
1 1 1 -28 16 3  o 70.12788 12.00566 86.28458       22.42817 80.70404      33.26931 90.93351       30.36564 66.81471 18.06093 73.44104 15.82232 -6.626328      24.01131 
1 1 1 -28 16 4  o 128.0698 7.681910 243.1716       25.98260 203.4256      38.03810 277.9374       35.57529 116.9139 12.08285 139.2257 9.489554 -22.31182      15.36382 
1 1 1 -28 16 5  o 77.99693 12.85313 101.3995       26.31182 99.54035      40.25422 102.7864       34.76701 76.17023 19.53316 79.82363 16.71131 -3.653397      25.70626 
1 1 1 -28 16 6  o 44.51559 13.37503 15.59437       27.69304 4.736798      45.84682 21.83148       34.74841 44.12093 19.52739 44.91026 18.28242 -0.7893219     26.75006 
1 1 1 -28 16 7  f 87.39332 12.23507 121.1140       27.86222 102.1624      41.79119 136.2781       37.38261 78.79678 19.73847 95.98985 14.46308 -17.19307      24.47015 
1 1 1 -28 16 8  o 34.14992 11.27454 -24.17798      25.36670 -15.25589     32.42933 -38.24266      40.71642 34.05082 15.61193 34.24902 16.27050 -0.1981926     22.54909 
1 1 1 -28 16 9  o 39.85859 12.41930 -1.734494      25.09653 -7.575815     31.65117 8.156535       41.18651 35.54941 15.94663 44.16776 19.04366 -8.618355      24.83860 
1 1 1 -28 16 10 o 94.48225 10.02585 119.0696       23.79206 102.8670      28.21295 158.9622       44.26937 85.03934 12.32098 103.9252 15.81974 -18.88583      20.05170 
1 1 1 -28 16 11 o 51.86006 13.22322 36.80601       22.85927 39.53004      27.59670 30.85104       40.80295 52.09048 17.06097 51.62965 20.20737 0.4608307      26.44645 
1 1 1 -28 16 12 o 72.82137 11.40613 58.81676       23.20458 20.27718      27.60358 151.6638       42.84457 43.23206 16.70331 102.4107 15.53700 -59.17863      22.81226 
1 1 1 -28 16 13 o 57.93793 13.15838 52.07444       24.67598 67.08672      29.61072 17.95213       44.64212 66.66374 16.56812 49.21211 20.44674 17.45163       26.31676 
1 1 1 -28 16 14 o 40.85859 12.11276 5.050603       24.02672 25.02666      28.20241 -47.82535      45.88391 45.54362 17.04945 36.17356 17.21022 9.370052       24.22551 
1 1 1 -28 16 15 o 98.62128 9.912464 135.3202       25.84394 121.9190      32.97709 156.6528       41.60679 92.75873 13.20305 104.4838 14.78876 -11.72511      19.82493 
1 1 1 -28 16 16 o 60.13646 13.16146 56.25814       24.52386 70.57743      31.08065 32.63715       39.91889 68.14906 16.99515 52.12387 20.10127 16.02519       26.32292 
1 1 1 -28 16 17 o 90.55572 11.40658 138.7272       25.48782 199.3747      33.73152 58.02356       38.91130 119.5219 10.48106 61.58957 20.26297 57.93229       22.81317 
1 1 1 -28 16 18 o 107.1147 10.38347 157.8217       26.75294 85.95651      33.90468 276.3888       43.54944 74.50393 17.24191 139.7256 11.57506 -65.22164      20.76693 
1 1 1 -28 16 19 o 107.7142 11.63193 197.1695       28.80059 261.0695      37.33869 103.3091       45.25328 136.3109 10.17291 79.11751 20.92174 57.19336       23.26386 
1 1 1 -28 16 20 o 45.15818 13.02077 8.603262       28.01520 45.28688      38.64488 -32.02927      40.67174 55.10436 20.07532 35.21200 16.58743 19.89236       26.04153 
1 1 1 -28 16 21 o 139.9032 7.719242 278.8178       28.90108 318.1064      41.44353 241.6231       40.32407 149.9457 10.26454 129.8608 11.53196 20.08490       15.43848 
1 1 1 -28 16 22 o 88.08864 12.60743 124.3395       28.83257 145.1887      42.68971 106.8515       39.09752 95.47871 17.23916 80.69856 18.40110 14.78015       25.21486 
1 1 1 -28 16 23 o 59.28599 13.81508 53.92487       28.80561 100.0497      42.37421 14.29730       39.27650 75.26103 20.39937 43.31095 18.63574 31.95008       27.63015 
1 1 1 -28 16 24 o 40.63320 12.84628 4.521230       28.98734 -5.374437     42.61442 13.04312       39.54594 39.09811 17.91514 42.16829 18.41617 -3.070175      25.69256 
1 1 1 -28 16 25 o 55.52827 17.07524 53.38072       37.63004 122.4799      93.37508 39.98247       41.11671 62.81390 27.83098 48.24264 19.79121 14.57127       34.15049 
1 1 1 -28 16 26 o 49.18515 15.54200 41.39965       38.51624 26.99429      90.78403 44.56177       42.53403 49.42628 23.70234 48.94402 20.11004 0.4822655      31.08399 
1 1 1 -28 18 4  o 64.39176 12.97110 74.66737       22.12822 91.15046      40.89419 67.84296       26.31328 66.39400 20.66638 62.38951 15.68116 4.004490       25.94221 
1 1 1 -28 18 5  o 70.63683 12.91218 91.30540       23.90189 97.75632      41.12988 88.01594       29.37037 69.59493 20.53780 71.67872 15.65556 -2.083786      25.82437 
1 1 1 -28 18 6  o 36.95937 11.34111 -0.2643906     21.78298 30.83117      33.53020 -22.97187      28.65309 45.16702 18.11064 28.75171 13.65604 16.41530       22.68221 
1 1 1 -28 18 7  o 95.98541 9.374430 140.7771       23.04292 106.4001      31.65217 179.5413       33.61122 81.62878 14.95147 110.3420 11.31253 -28.71326      18.74886 
1 1 1 -28 18 8  o 125.8137 11.77847 232.7201       39.90252 0.000000      0.000000 232.7201       39.90252 ?        ?        125.8137 11.77847 ?              ?        
1 1 1 -28 18 9  o 34.13340 11.07090 -11.59690      21.86727 -15.35576     27.04387 -4.497986      37.16526 30.21219 13.99648 38.05460 17.15685 -7.842413      22.14180 
1 1 1 -28 18 10 o 42.67288 12.43262 14.11622       21.81423 4.925081      26.44502 33.68720       38.58918 35.65072 15.31446 49.69505 19.58948 -14.04433      24.86524 
1 1 1 -28 18 11 o 34.98900 10.98007 -1.745428      20.28389 8.137563      24.07094 -25.95283      37.67237 35.65801 14.93120 34.31999 16.10302 1.338017       21.96014 
1 1 1 -28 18 12 o 68.07086 12.25263 63.18393       22.74314 35.15520      27.65159 121.7943       39.98580 48.66045 17.06702 87.48127 17.58479 -38.82082      24.50526 
1 1 1 -28 18 13 o 55.51566 13.29764 49.66250       23.70814 56.68888      28.40288 33.51945       43.05160 59.74782 16.89883 51.28349 20.53627 8.464336       26.59527 
1 1 1 -28 18 14 o 116.0122 9.639969 207.2457       26.15731 220.4460      31.01715 174.7411       48.67238 125.3842 9.187041 106.6401 16.95035 18.74412       19.27994 
1 1 1 -28 18 15 o 60.30058 13.15808 63.51433       25.88296 81.53266      30.56666 17.85892       48.65604 72.16379 16.13545 48.43737 20.78911 23.72642       26.31615 
1 1 1 -28 18 16 o 40.31390 12.76098 -11.95336      27.19904 -29.88922     33.34909 23.67947       47.00542 31.33694 14.83989 49.29086 20.76412 -17.95392      25.52197 
1 1 1 -28 18 17 o 48.31202 13.88541 28.02508       27.83940 32.02496      34.67289 20.76803       46.70312 48.45452 18.72059 48.16952 20.51239 0.2849998      27.77082 
1 1 1 -28 18 18 o 34.24821 11.45009 -30.17454      27.84341 -20.32369     36.40441 -44.05920      43.22003 34.53173 16.07964 33.96468 16.30533 0.5670433      22.90019 
1 1 1 -28 18 19 o 51.72034 13.76112 36.75205       27.27407 13.29243      36.83014 65.23962       40.58546 42.35749 18.13082 61.08319 20.70621 -18.72570      27.52224 
1 1 1 -28 18 20 o 49.67791 13.63830 35.73434       26.33866 22.67877      35.41125 51.90084       39.40498 44.24959 18.28321 55.10623 20.24196 -10.85664      27.27660 
1 1 1 -28 18 21 o 45.38807 14.66634 11.58665       34.76045 -7.947775     79.49686 16.20436       38.65119 48.14648 22.83253 42.62965 18.41417 5.516827       29.33268 
1 1 1 -28 18 22 o 53.96301 16.53922 49.99269       37.11733 83.34994      88.60281 42.89277       40.87704 58.34861 26.38143 49.57739 19.95505 8.771221       33.07845 
1 1 1 -28 18 23 o 67.92180 13.40050 114.6333       37.73599 -61.32212     85.68343 156.9747       42.03182 41.54151 20.56530 94.30209 17.18609 -52.76058      26.80099 
1 1 1 -28 20 8  o 68.30609 11.68526 79.73751       20.80367 68.15891      26.30231 99.08409       33.99917 62.58127 15.64956 74.03091 17.35720 -11.44964      23.37052 
1 1 1 -28 20 9  o 33.09049 10.66634 -3.363885      21.14325 4.073869      27.82631 -13.52366      32.52196 34.11988 15.15153 32.06110 15.01713 2.058784       21.33268 
1 1 1 -28 20 10 o 58.35003 11.33893 64.52930       21.55287 92.56262      27.78006 22.14007       34.16046 75.06420 14.26563 41.63585 17.62888 33.42835       22.67787 
1 1 1 -28 20 11 o 40.07682 12.20124 13.10365       23.02996 2.655287      28.79239 31.66083       38.37157 34.48331 15.35703 45.67033 18.96425 -11.18702      24.40248 
1 1 1 -28 20 12 f 68.61293 13.64223 89.48127       25.89134 93.00346      31.41580 82.02328       45.71446 74.09184 16.19857 63.13403 21.95560 10.95780       27.28446 
1 1 1 -28 20 13 o 33.52979 11.36966 -27.41620      27.32691 -24.16836     32.79777 -34.78959      49.41752 30.81500 14.62856 36.24459 17.40924 -5.429594      22.73931 
1 1 1 -28 20 14 o 56.39370 14.63181 61.50921       29.59026 68.94160      35.64399 45.03033       53.07444 60.95323 19.34000 51.83417 21.96186 9.119064       29.26361 
1 1 1 -28 20 15 o 76.57455 14.13410 107.5785       28.48212 102.2142      35.13262 117.8645       48.64933 76.73946 17.40287 76.40964 22.27624 0.3298187      28.26820 
1 1 1 -28 20 16 o 94.76521 17.05351 188.4904       40.51416 203.6573      85.68050 184.1227       45.97915 84.32935 29.99714 105.2011 16.23145 -20.87172      34.10701 
1 1 1 -28 20 17 o 48.21684 15.27838 32.79328       38.25675 7.705090      85.21061 39.12705       42.81441 48.20712 23.07679 48.22657 20.02942 -0.1945877E-01 30.55677 
1 1 1 -28 20 18 o 53.10763 15.30440 59.00192       36.91364 9.321184      76.44404 74.10896       42.15405 46.70058 22.21731 59.51468 21.05444 -12.81409      30.60880 
1 1 1 -28 20 19 o 41.16143 13.38276 13.76803       26.34730 -30.42415     84.64571 18.50898       27.72457 43.68427 21.39055 38.63859 16.08842 5.045677       26.76552 
1 1 1 -28 20 20 o 43.99938 13.96268 23.38408       26.05538 14.26645      81.51543 24.42161       27.49792 47.29612 22.62230 40.70265 16.37246 6.593464       27.92536 
1 1 1 -27 1  1  o 114.3666 11.32651 177.8417       34.61625 211.3139      51.14828 149.5531       47.02125 124.3124 15.28035 104.4209 16.72336 19.89154       22.65303 
1 1 1 -27 1  2  o 217.4025 6.288105 644.3292       36.72440 681.6288      54.24853 612.7744       49.89631 223.1349 9.028947 211.6701 8.754382 11.46478       12.57621 
1 1 1 -27 1  3  o 172.7644 6.384588 404.3829       29.66436 427.4018      43.24351 383.9228       40.76922 177.3930 9.053177 168.1359 9.005102 9.257156       12.76918 
1 1 1 -27 1  4  o 134.3990 11.65259 246.6912       42.16982 0.000000      0.000000 246.6912       42.16982 ?        ?        134.3990 11.65259 ?              ?        
1 1 1 -27 1  5  o 288.8759 5.102879 1128.628       39.66925 1075.585      55.57374 1183.733       56.64315 281.9377 7.320371 295.8142 7.111234 -13.87653      10.20576 
1 1 1 -27 1  6  o 445.2677 5.507827 2669.426       65.84259 2852.753      97.81242 2517.522       89.03611 459.1442 7.911549 431.3912 7.664988 27.75293       11.01565 
1 1 1 -27 1  7  o 199.6388 5.159012 537.7844       27.69856 513.7559      38.03943 564.9030       40.41145 194.9088 7.248015 204.3687 7.343560 -9.459854      10.31802 
1 1 1 -27 1  8  o 93.98708 12.36007 120.4241       31.28042 120.4241      31.28042 0.000000       0.000000 93.98708 12.36007 ?        ?        ?              ?        
1 1 1 -27 1  9  o 239.5758 4.555604 775.1893       29.38637 768.4535      41.28049 782.1099       41.84240 238.5226 6.427350 240.6290 6.457809 -2.106400      9.111209 
1 1 1 -27 1  10 o 403.2276 5.014070 2196.578       54.43115 2164.415      76.10784 2230.254       77.87720 400.2130 7.062441 406.2422 7.119375 -6.029236      10.02814 
1 1 1 -27 1  11 o 125.5724 6.324874 213.4608       21.37271 203.4675      30.02437 223.7267       30.43088 122.5812 9.096334 128.5635 8.790498 -5.982239      12.64975 
1 1 1 -27 1  12 o 194.6619 4.635958 511.6113       24.29506 525.4681      34.49298 497.9687       34.22540 197.2829 6.493187 192.0408 6.618681 5.242065       9.271916 
1 1 1 -27 1  13 o 77.65146 9.961955 84.11156       20.22935 98.32330      28.71334 70.10527       28.50505 85.02327 12.54188 70.27965 15.48107 14.74362       19.92391 
1 1 1 -27 1  14 o 199.5944 4.653201 535.3804       24.94439 589.8679      36.63082 488.2660       34.06243 209.0263 6.508222 190.1625 6.652231 18.86375       9.306402 
1 1 1 -27 1  15 o 334.6401 4.610838 1512.143       41.54168 1499.171      59.06851 1524.839       58.43424 333.2107 6.583453 336.0696 6.457356 -2.858948      9.221676 
1 1 1 -27 1  16 o 213.5003 4.848294 616.7045       27.82590 583.2273      39.68068 649.0944       39.03088 207.7657 7.092867 219.2348 6.611736 -11.46906      9.696588 
1 1 1 -27 1  17 o 117.7085 7.584202 189.3227       23.88595 171.3234      34.57426 205.7577       33.03776 112.2534 11.43852 123.1636 9.961963 -10.91015      15.16840 
1 1 1 -27 1  18 o 89.01947 10.92442 109.1045       25.19349 143.6292      37.80624 81.52689       33.78918 102.5259 13.69451 75.51308 17.02446 27.01278       21.84885 
1 1 1 -27 1  19 o 71.13492 13.14957 72.06329       25.83522 90.64058      37.26004 54.86200       35.85358 79.50441 17.84293 62.76543 19.32032 16.73898       26.29914 
1 1 1 -27 1  20 f 107.1513 9.242503 157.7692       26.49092 174.2258      36.92049 140.3069       38.03186 113.0521 12.12845 101.2505 13.94977 11.80164       18.48501 
1 1 1 -27 1  21 o 41.38709 12.44550 -5.538133      25.62848 -30.86885     36.70473 18.55984       35.80046 35.00429 16.24808 47.76989 18.85636 -12.76559      24.89101 
1 1 1 -27 1  22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  23 o 151.7179 7.207165 312.7965       29.33135 307.8690      39.64977 318.7524       43.59141 150.4642 9.786426 152.9716 10.58295 -2.507431      14.41433 
1 1 1 -27 1  24 o 45.70009 13.56484 7.599559       28.20817 6.099248      40.60467 8.999024       39.21629 45.62124 19.26275 45.77893 19.10408 -0.1576958     27.12968 
1 1 1 -27 1  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  27 o 57.64498 14.45690 42.90983       28.77137 26.60470      40.24465 59.95526       41.14812 51.17843 20.05820 64.11153 20.82490 -12.93310      28.91380 
1 1 1 -27 1  28 o 33.23760 11.18437 -41.36454      27.40031 -40.04424     37.72642 -42.83850      39.86146 32.86142 15.62598 33.61378 16.00591 -0.7523613     22.36873 
1 1 1 -27 1  29 o 70.65273 20.07004 79.09624       39.97338 79.09624      39.97338 0.000000       0.000000 70.65273 20.07004 ?        ?        ?              ?        
1 1 1 -27 1  30 o 111.5391 14.63587 184.0447       43.95710 0.000000      0.000000 184.0447       43.95710 ?        ?        111.5391 14.63587 ?              ?        
1 1 1 -27 1  31 o 63.23042 15.13173 70.94176       30.64906 70.83246      43.02048 71.05443       43.67556 63.22295 21.31888 63.23789 21.47981 -0.1494217E-01 30.26345 
1 1 1 -27 1  32 o 52.91812 14.18912 45.67537       30.01043 81.35605      43.53189 13.35942       41.42852 63.80198 21.44555 42.03426 18.58527 21.76772       28.37823 
1 1 1 -27 3  1  o 58.59111 14.82620 37.96956       32.14345 1.817757      47.96395 67.44241       43.30729 48.33672 20.69040 68.84551 21.24080 -20.50880      29.65239 
1 1 1 -27 3  2  o 41.14499 13.06164 -33.88953      33.04477 -97.63079     52.54365 7.816747       42.50212 34.64225 16.93966 47.64773 19.88651 -13.00547      26.12327 
1 1 1 -27 3  3  o 47.85197 13.48060 16.55119       26.94100 -1.459353     38.92112 33.11871       37.32936 42.61696 18.44340 53.08698 19.66588 -10.47002      26.96119 
1 1 1 -27 3  4  o 103.5325 9.932947 147.3319       27.65372 157.0600      39.32885 137.8190       38.89136 106.9716 13.65398 100.0935 14.42992 6.878075       19.86589 
1 1 1 -27 3  5  f 276.7851 5.134192 1036.906       38.26172 1018.889      53.89394 1055.215       54.32917 274.3540 7.295334 279.2161 7.226189 -4.862061      10.26838 
1 1 1 -27 3  6  o 26.42183 9.242482 -77.49725      24.22735 -82.69720     33.61161 -71.87397      34.95305 25.37416 12.61611 27.46950 13.51028 -2.095341      18.48496 
1 1 1 -27 3  7  o 214.5385 4.959839 624.2858       28.55191 656.7056      39.46992 588.6990       41.35285 220.4453 6.649395 208.6317 7.361084 11.81358       9.919678 
1 1 1 -27 3  8  o 239.6981 4.687998 771.0593       30.11093 725.1449      40.24625 829.4376       45.38126 231.6722 6.451610 247.7241 6.803384 -16.05186      9.375997 
1 1 1 -27 3  9  o 287.2060 4.518841 1111.616       34.90456 1172.134      50.87500 1057.795       47.97734 294.5706 6.414038 279.8414 6.367087 14.72925       9.037682 
1 1 1 -27 3  10 o 309.9506 4.489589 1296.969       37.46257 1268.939      52.37774 1326.326       53.60369 306.5238 6.345987 313.3773 6.352486 -6.853546      8.979177 
1 1 1 -27 3  11 o 222.0754 4.465330 665.7923       26.66523 669.0154      38.77789 662.9014       36.72635 222.5687 6.470483 221.5822 6.155447 0.9865570      8.930659 
1 1 1 -27 3  12 o 318.5254 4.447152 1368.281       38.04222 1390.727      56.06452 1349.128       51.78911 320.9146 6.488066 316.1361 6.083885 4.778503       8.894304 
1 1 1 -27 3  13 o 176.7501 4.948771 419.1673       23.41363 447.5965      35.48938 397.2569       31.15596 181.9991 7.241787 171.5011 6.746693 10.49805       9.897542 
1 1 1 -27 3  14 o 169.3657 5.045492 385.6622       22.84289 402.8789      34.75808 372.5727       30.30690 172.6469 7.476762 166.0844 6.776872 6.562531       10.09098 
1 1 1 -27 3  15 o 44.28861 12.36609 14.14501       21.73379 23.58932      33.16300 7.034874       28.77448 48.53978 18.41826 40.03745 16.50600 8.502327       24.73217 
1 1 1 -27 3  16 o 180.7093 5.488741 440.8576       26.55570 448.9677      39.89544 434.4056       35.58412 182.1588 8.133730 179.2598 7.372079 2.899017       10.97748 
1 1 1 -27 3  17 o 54.28853 13.05762 34.76668       23.79490 55.94099      34.78254 16.13972       32.62328 63.17538 18.94459 45.40168 17.97521 17.77370       26.11524 
1 1 1 -27 3  18 o 271.1295 4.814239 993.5089       35.14521 986.2444      49.82335 1000.704       49.58320 270.1367 6.849612 272.1222 6.766860 -1.985504      9.628478 
1 1 1 -27 3  19 o 68.29050 13.15495 66.78496       24.90373 72.39709      34.97904 61.01602       35.46436 71.00445 18.20831 65.57656 18.99127 5.427887       26.30990 
1 1 1 -27 3  20 o 237.0333 4.895394 759.4613       31.22779 760.1553      43.45927 758.7206       44.90156 237.1611 6.805430 236.9056 7.038866 0.2554626      9.790788 
1 1 1 -27 3  21 o ?        ?        -134.5177      23.94415 -115.1517     30.35422 -166.4177      38.95773 ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  22 o 155.4174 7.626738 346.8487       29.95777 397.3157      38.28493 267.1459       48.11280 171.1678 8.306583 139.6670 12.79333 31.50076       15.25348 
1 1 1 -27 3  23 o 182.7404 6.598753 456.9494       31.76218 470.9820      41.23597 436.4792       49.80450 186.3963 8.215909 179.0845 10.32826 7.311829       13.19751 
1 1 1 -27 3  24 o 31.19083 10.78762 -70.27015      30.06731 -65.40412     40.57497 -76.19659      44.77828 30.71873 14.99192 31.66293 15.51558 -0.9442005     21.57524 
1 1 1 -27 3  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  26 o 68.35159 13.84759 47.29036       37.21420 -51.67183     51.78366 152.9875       53.51675 38.29081 18.23578 98.41237 20.84417 -60.12156      27.69518 
1 1 1 -27 3  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  28 o 51.87361 12.94761 25.34682       26.82828 -20.40056     38.28762 69.47388       37.60345 36.83333 16.91561 66.91389 19.60676 -30.08056      25.89523 
1 1 1 -27 3  29 o 100.3370 10.48628 146.9281       28.31378 150.7376      40.92413 143.4303       39.21406 101.5074 14.97264 99.16660 14.68564 2.340797       20.97256 
1 1 1 -27 3  30 o 118.3616 9.884548 210.5473       30.52148 160.7508      44.20705 255.9061       42.19127 103.1902 15.90998 133.5330 11.73412 -30.34277      19.76910 
1 1 1 -27 3  31 o 34.80693 11.64305 -37.68956      29.37614 -3.643615     42.85876 -67.85668      40.34352 40.33772 18.28312 29.27613 14.42116 11.06159       23.28610 
1 1 1 -27 3  32 f 48.02618 13.76720 26.06338       31.07363 75.50163      45.08792 -18.66059      42.88435 60.24880 21.72477 35.80356 16.91679 24.44524       27.53440 
1 1 1 -27 5  1  o 288.6907 5.502032 1155.745       42.68404 1139.357      62.08736 1170.432       58.77726 286.4612 8.049223 290.9202 7.503296 -4.458954      11.00406 
1 1 1 -27 5  2  o 168.7708 8.823740 376.2134       39.52373 460.3364      62.50047 320.1553       51.02058 184.0344 12.61249 153.5071 12.34336 30.52733       17.64748 
1 1 1 -27 5  3  o 58.68278 14.57209 38.76703       31.54603 91.38763      48.28018 -0.4338812     41.67149 74.69776 22.30164 42.66780 18.76220 32.02996       29.14418 
1 1 1 -27 5  4  o 364.1180 5.356987 1790.731       52.40847 1868.790      77.24904 1724.163       71.33701 371.4063 7.724324 356.8297 7.424558 14.57660       10.71397 
1 1 1 -27 5  5  o 116.7356 9.121603 188.0582       28.45317 169.2784      41.36226 204.9278       39.20227 111.0105 13.83747 122.4608 11.88860 -11.45027      18.24321 
1 1 1 -27 5  6  o 178.9770 6.263392 434.4764       30.17977 441.1552      43.17273 428.0937       42.20501 180.3165 8.891819 177.6376 8.823599 2.678940       12.52678 
1 1 1 -27 5  7  o 116.6458 7.781577 186.3139       24.26582 203.8805      33.55394 167.0532       35.13472 122.5349 10.16952 110.7566 11.78103 11.77827       15.56315 
1 1 1 -27 5  8  o 350.2155 4.849416 1657.393       45.70530 1645.629      63.48664 1670.050       65.85236 348.9460 6.756795 351.4850 6.957949 -2.539032      9.698832 
1 1 1 -27 5  9  o 49.42579 12.68739 26.34146       21.97572 16.11400      29.30708 39.47852       33.21527 43.67624 17.11714 55.17535 18.73186 -11.49911      25.37478 
1 1 1 -27 5  10 o 81.62321 9.964879 92.60439       21.39509 99.93217      30.43347 85.44393       30.08401 85.53870 13.21312 77.70773 14.92008 7.830963       19.92976 
1 1 1 -27 5  11 o 102.4048 7.777853 142.6221       21.43760 138.7218      30.44390 146.4582       30.19237 100.9979 11.19450 103.8118 10.80107 -2.813957      15.55571 
1 1 1 -27 5  12 o 231.6738 4.626706 715.9383       28.57617 788.2783      44.33014 664.5065       37.37881 241.5273 6.816311 221.8202 6.258077 19.70711       9.253412 
1 1 1 -27 5  13 o 107.9670 7.446103 155.4281       21.43754 180.5311      33.23593 137.5437       28.05324 115.2808 10.70699 100.6532 10.35075 14.62756       14.89221 
1 1 1 -27 5  14 o 51.91389 11.60075 18.52876       21.47132 73.65394      34.82194 -15.28626      27.27299 71.68282 18.05143 32.14496 14.57586 39.53786       23.20150 
1 1 1 -27 5  15 o 45.12793 11.69133 14.77207       22.06171 -30.58461     35.49104 43.33478       28.16422 34.30146 15.94043 55.95440 17.10707 -21.65294      23.38267 
1 1 1 -27 5  16 o 112.0764 8.283374 165.3194       24.55906 204.5149      39.43707 140.4902       31.38825 122.5418 11.95190 101.6110 11.47211 20.93082       16.56675 
1 1 1 -27 5  17 o 96.04002 9.669553 126.4465       24.78244 123.4711      37.38114 128.7798       33.10288 94.92348 14.62499 97.15656 12.65349 -2.233078      19.33911 
1 1 1 -27 5  18 o 118.7353 7.967370 192.7357       25.32752 170.7559      36.04841 214.1637       35.59299 111.9387 11.95976 125.5319 10.52997 -13.59319      15.93474 
1 1 1 -27 5  19 o 62.32399 12.16209 56.34749       22.01459 74.11258      29.26677 33.19696       33.40960 72.14927 15.52488 52.49870 18.72550 19.65057       24.32419 
1 1 1 -27 5  20 o 29.84667 14.41504 -54.44637      34.99806 0.000000      0.000000 -54.44637      34.99806 ?        ?        29.84667 14.41504 ?              ?        
1 1 1 -27 5  21 o 74.41139 9.631310 82.03626       26.43388 183.7368      34.66966 -59.17633      40.85308 116.0910 11.09093 32.73183 15.74928 83.35913       19.26262 
1 1 1 -27 5  22 o 196.1881 9.737753 523.3515       51.44165 0.000000      0.000000 523.3515       51.44165 ?        ?        196.1881 9.737753 ?              ?        
1 1 1 -27 5  23 o 98.48887 13.30751 158.7390       31.92477 199.2309      39.75909 85.25350       53.56154 120.4878 12.25491 76.48997 23.62577 43.99780       26.61503 
1 1 1 -27 5  24 o ?        ?        -240.6768      62.79393 0.000000      0.000000 -240.6768      62.79393 ?        ?        ?        ?        ?              ?        
1 1 1 -27 5  25 o 613.0891 10.39870 5098.769       171.6666 0.000000      0.000000 5098.769       171.6666 ?        ?        613.0891 10.39870 ?              ?        
1 1 1 -27 5  26 o 32.35793 11.13558 -72.97630      31.36993 -97.97645     45.51479 -50.35431      43.29589 30.10294 14.91793 34.61291 16.53662 -4.509975      22.27115 
1 1 1 -27 5  27 o 99.45817 10.96861 144.0871       28.38141 174.5501      41.75906 117.9358       38.69104 110.4126 14.04586 88.50370 16.85098 21.90894       21.93723 
1 1 1 -27 5  28 o 108.2882 9.218839 164.4709       26.76461 183.0564      40.12085 149.5678       35.92718 113.7276 13.10149 102.8488 12.97300 10.87883       18.43768 
1 1 1 -27 5  29 o 39.16610 12.50638 -10.25151      28.04415 -2.108966     41.03070 -17.39041      38.41885 41.46054 18.40551 36.87167 16.93741 4.588867       25.01277 
1 1 1 -27 5  30 o 52.89787 14.48353 40.64083       29.41602 37.82573      42.99631 43.11791       40.33242 52.22037 20.64831 53.57538 20.31595 -1.355007      28.96706 
1 1 1 -27 5  31 o 36.82388 12.20145 -19.97355      30.31991 -18.20003     44.51686 -21.50810      41.40926 37.74294 17.64376 35.90483 16.85820 1.838108       24.40289 
1 1 1 -27 5  32 o 55.99289 14.56932 57.01451       31.77648 106.5986      47.48045 16.78847       42.76586 69.96561 22.33432 42.02017 18.71466 27.94544       29.13864 
1 1 1 -27 7  1  o 46.64784 13.43530 17.28695       25.67893 12.11175      44.04478 19.95190       31.60645 48.04086 20.16121 45.25482 17.76388 2.786034       26.87061 
1 1 1 -27 7  2  o 162.1486 9.259211 365.9587       40.42690 0.000000      0.000000 365.9587       40.42690 ?        ?        162.1486 9.259211 ?              ?        
1 1 1 -27 7  3  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  4  o 62.07048 13.47459 56.17639       29.75805 0.1076100     44.04613 103.2606       40.36313 43.48386 19.19795 80.65710 18.91287 -37.17324      26.94917 
1 1 1 -27 7  5  o 191.8941 5.824478 498.6405       30.07262 523.3980      43.48723 475.9508       41.63165 196.4548 8.220831 187.3334 8.253249 9.121384       11.64896 
1 1 1 -27 7  6  o 177.7992 6.151268 427.2749       29.38871 458.2001      43.25771 400.7646       40.05108 183.7431 8.743172 171.8553 8.655017 11.88783       12.30254 
1 1 1 -27 7  7  o 254.7579 7.429660 878.7916       50.96593 0.000000      0.000000 878.7916       50.96593 ?        ?        254.7579 7.429660 ?              ?        
1 1 1 -27 7  8  o 62.62957 13.50833 55.10538       25.12458 64.07462      34.09002 44.44056       37.17286 66.91902 18.36333 58.34012 19.81637 8.578903       27.01667 
1 1 1 -27 7  9  o 294.7809 6.676336 1174.175       52.99329 0.000000      0.000000 1174.175       52.99329 ?        ?        294.7809 6.676336 ?              ?        
1 1 1 -27 7  10 o 118.0611 7.625993 189.5734       24.22464 181.2090      34.26922 197.9277       34.24843 115.4312 11.02548 120.6910 10.53859 -5.259796      15.25199 
1 1 1 -27 7  11 o 221.6712 4.859921 665.0231       28.93088 652.3925      42.26297 676.1611       39.68726 219.6522 7.145638 223.6902 6.589019 -4.038025      9.719841 
1 1 1 -27 7  12 o 225.0261 4.872776 685.0817       29.33968 679.1669      43.92499 689.8464       39.42412 224.0959 7.279380 225.9563 6.479690 -1.860413      9.745551 
1 1 1 -27 7  13 o 307.3150 4.690631 1279.496       38.69338 1225.982      56.25649 1327.542       53.30420 301.1476 6.937608 313.4824 6.314877 -12.33472      9.381262 
1 1 1 -27 7  14 o 235.2604 5.000084 751.6112       31.43110 718.8140      46.86753 778.4186       42.37220 230.5059 7.551038 240.0149 6.556309 -9.509033      10.00017 
1 1 1 -27 7  15 o 201.3840 5.349254 554.3048       28.67238 500.9540      42.59092 598.5237       38.77492 192.3421 8.223547 210.4259 6.843344 -18.08372      10.69851 
1 1 1 -27 7  16 o 143.7177 6.725603 282.7748       25.53597 218.0875      35.76962 350.0095       36.46711 126.6831 10.48605 160.7523 8.424821 -34.06916      13.45121 
1 1 1 -27 7  17 o 63.28069 12.35202 58.36153       22.56729 74.99014      29.73358 35.76660       34.65971 72.55798 15.67658 54.00340 19.09278 18.55458       24.70404 
1 1 1 -27 7  18 o 153.1427 5.852750 322.6159       23.49324 343.0511      30.53568 292.9734       36.77698 159.2928 7.119147 146.9926 9.291742 12.30020       11.70550 
1 1 1 -27 7  19 o 40.71349 11.00715 -21.80058      24.45935 43.65924      31.14692 -127.1112      39.50608 56.56874 18.09268 24.85825 12.54132 31.71050       22.01431 
1 1 1 -27 7  20 o 179.3217 7.940535 435.8090       38.34124 435.8090      38.34124 0.000000       0.000000 179.3217 7.940535 ?        ?        ?              ?        
1 1 1 -27 7  21 o 128.4305 8.306391 213.8500       27.82457 181.9860      34.49433 273.2009       47.07727 115.5283 11.08858 141.3326 12.37045 -25.80430      16.61278 
1 1 1 -27 7  22 o 181.6699 7.189788 469.1280       33.64677 545.3671      44.22422 364.3408       51.84722 200.3602 8.197194 162.9796 11.81432 37.38063       14.37958 
1 1 1 -27 7  23 f 35.82292 17.64980 -118.9938      60.53697 0.000000      0.000000 -118.9938      60.53697 ?        ?        35.82292 17.64980 ?              ?        
1 1 1 -27 7  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  25 o 36.60603 12.31018 -52.58845      33.36130 -86.74911     45.07095 -11.19101      49.61584 30.27812 14.97613 42.93394 19.54169 -12.65582      24.62036 
1 1 1 -27 7  26 o 42.28011 13.06999 -2.240435      28.26215 7.158352      41.48760 -10.37865      38.60530 45.17098 19.28667 39.38924 17.64435 5.781734       26.13998 
1 1 1 -27 7  27 o 37.49281 11.69582 -13.90244      25.27740 -57.58854     40.09173 14.92150       32.56565 31.64899 15.31988 43.33664 17.67681 -11.68765      23.39163 
1 1 1 -27 7  28 o 86.45300 11.66084 114.0939       26.28685 101.6619      39.13482 124.3142       35.48328 80.41001 18.46427 92.49599 14.24681 -12.08598      23.32168 
1 1 1 -27 7  29 o 50.14145 14.00383 28.11455       29.64931 0.5189972     43.56326 51.92853       40.46848 42.76890 18.97670 57.51399 20.59890 -14.74509      28.00767 
1 1 1 -27 7  30 o 76.39114 14.09755 106.2732       30.56883 72.72250      47.35814 130.2361       40.02333 63.23660 22.32215 89.54568 17.22455 -26.30907      28.19509 
1 1 1 -27 7  31 o 113.3008 11.03946 209.2582       32.89757 210.2911      51.86589 208.5630       42.55267 111.2439 17.31498 115.3576 13.69927 -4.113632      22.07891 
1 1 1 -27 9  1  o 285.6130 5.354355 1118.015       40.93872 1122.095      61.31417 1114.733       54.99253 285.8077 7.967160 285.4182 7.155478 0.3894958      10.70871 
1 1 1 -27 9  2  o 190.7649 6.494134 502.0839       32.47830 490.1348      51.87222 509.7888       41.65350 188.4339 10.22333 193.0959 8.011155 -4.662003      12.98827 
1 1 1 -27 9  3  o 46.95358 13.73423 18.60861       29.88538 -9.913240     45.29967 40.58924       39.76731 41.03369 18.67507 52.87346 20.14345 -11.83977      27.46847 
1 1 1 -27 9  4  o 211.8414 10.00235 607.9492       57.05536 0.000000      0.000000 607.9492       57.05536 ?        ?        211.8414 10.00235 ?              ?        
1 1 1 -27 9  5  o 99.87849 18.60801 143.5623       48.20304 0.000000      0.000000 143.5623       48.20304 ?        ?        99.87849 18.60801 ?              ?        
1 1 1 -27 9  6  o 137.2160 8.165079 261.4185       30.15817 254.1604      42.02062 269.1285       43.30874 135.2566 11.53773 139.1754 11.55659 -3.918762      16.33016 
1 1 1 -27 9  7  o 73.85672 13.79588 78.65852       27.89220 70.45679      38.60622 87.61436       40.34208 69.97486 19.67036 77.73859 19.34897 -7.763725      27.59177 
1 1 1 -27 9  8  o 224.3412 5.846429 682.4825       35.31650 681.1530      50.04078 683.8019       49.84991 224.1189 8.292057 224.5635 8.244072 -0.4446716     11.69286 
1 1 1 -27 9  9  o 126.8343 9.034092 219.8117       30.01324 293.6402      44.31980 157.2753       40.78985 146.7124 11.21883 106.9563 14.16323 39.75609       18.06818 
1 1 1 -27 9  10 o 348.8690 7.106704 1646.859       66.75963 0.000000      0.000000 1646.859       66.75963 ?        ?        348.8690 7.106704 ?              ?        
1 1 1 -27 9  11 o 117.1409 10.16069 208.0760       27.42118 101.9692      39.64799 305.3684       37.96550 84.28006 18.01682 150.0018 9.399597 -65.72176      20.32138 
1 1 1 -27 9  12 o 417.3868 7.432393 2356.694       83.53159 0.000000      0.000000 2356.694       83.53159 ?        ?        417.3868 7.432393 ?              ?        
1 1 1 -27 9  13 o 25.73713 9.076575 -99.02192      25.90416 -144.5667     39.97925 -66.06471      34.00873 23.88659 12.11473 27.58766 13.51925 -3.701069      18.15315 
1 1 1 -27 9  14 o 160.2005 8.615163 347.7129       37.16299 0.000000      0.000000 347.7129       37.16299 ?        ?        160.2005 8.615163 ?              ?        
1 1 1 -27 9  15 o 360.6365 7.154154 1758.863       69.47224 0.000000      0.000000 1758.863       69.47224 ?        ?        360.6365 7.154154 ?              ?        
1 1 1 -27 9  16 o 177.4483 5.953472 411.9909       27.62753 369.4745      34.48583 488.1707       46.16170 165.1977 7.752704 189.6988 9.037196 -24.50111      11.90694 
1 1 1 -27 9  17 o 105.1238 9.718175 154.4772       25.45880 159.6107      30.97608 143.7911       44.69181 108.2634 10.62579 101.9842 16.27465 6.279198       19.43635 
1 1 1 -27 9  18 o 128.3055 8.361894 233.0349       26.94958 250.5247      33.42635 200.5511       45.55434 135.8107 9.140532 120.8003 14.00485 15.01044       16.72379 
1 1 1 -27 9  19 o 92.62085 11.67372 102.4510       26.95682 54.52090      32.45224 209.1332       48.41574 61.96983 18.23044 123.2719 14.58610 -61.30204      23.34745 
1 1 1 -27 9  20 o 53.41394 13.53582 31.23371       27.89930 57.12931      33.86423 -23.47737      49.22274 63.37278 18.61703 43.45511 19.65401 19.91767       27.07165 
1 1 1 -27 9  21 o 144.4320 8.353903 300.8865       30.89842 307.8088      38.56878 288.4833       51.62671 148.1639 9.667408 140.7001 13.62689 7.463821       16.70781 
1 1 1 -27 9  22 o 35.41695 17.69596 -184.1684      69.63612 0.000000      0.000000 -184.1684      69.63612 ?        ?        35.41695 17.69596 ?              ?        
1 1 1 -27 9  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 9  24 o 58.10491 14.62332 37.19860       31.85360 86.21481      47.82113 -1.894349      42.70701 73.18629 22.27366 43.02353 18.95391 30.16276       29.24665 
1 1 1 -27 9  25 o 87.96061 12.24235 109.0808       29.16363 203.8653      45.75723 44.23572       37.84683 119.6543 14.20195 56.26689 19.94506 63.38744       24.48470 
1 1 1 -27 9  26 o 36.76322 11.86441 -16.95247      26.00668 -21.77453     39.04942 -13.10881      34.86352 36.98626 17.02174 36.54018 16.53232 0.4460793      23.72882 
1 1 1 -27 9  27 o 73.21275 13.16384 83.98361       25.75250 86.63505      39.92657 82.09476       33.69928 73.65045 19.73400 72.77505 17.42746 0.8754044      26.32768 
1 1 1 -27 9  28 o 48.06921 13.92147 21.19711       28.75881 39.66914      44.05342 7.478385       37.96463 53.82848 21.01645 42.30996 18.26303 11.51852       27.84294 
1 1 1 -27 9  29 o 71.45318 19.71695 87.57060       39.17369 0.000000      0.000000 87.57060       39.17369 ?        ?        71.45318 19.71695 ?              ?        
1 1 1 -27 9  30 o 72.79676 13.10406 104.5162       30.46695 39.98093      50.18705 142.1797       38.34009 50.95376 21.45949 94.63976 15.04514 -43.68599      26.20812 
1 1 1 -27 9  31 o 36.95733 12.38370 -16.39832      33.22271 -47.20507     55.70890 0.6054133      41.38793 35.79185 17.48925 38.12281 17.53710 -2.330959      24.76740 
1 1 1 -27 11 1  o 168.0565 6.617486 393.6797       29.30622 385.8290      46.15384 398.9834       37.93498 166.0849 10.32035 170.0280 8.285828 -3.943146      13.23497 
1 1 1 -27 11 2  o 198.2717 5.988559 544.7577       31.67103 505.7806      47.04800 577.0563       42.82803 191.3943 9.129117 205.1490 7.753100 -13.75467      11.97712 
1 1 1 -27 11 3  o 161.7854 7.043222 360.4686       30.52754 390.7495      46.08630 336.7946       40.74952 167.6714 10.20774 155.8994 9.707217 11.77206       14.08644 
1 1 1 -27 11 4  o 126.1339 9.184796 226.1708       30.57879 186.2794      44.78746 261.0036       41.85154 114.9785 14.46627 137.2893 11.32117 -22.31083      18.36959 
1 1 1 -27 11 5  o 34.70351 16.68370 -58.81992      45.61172 0.000000      0.000000 -58.81992      45.61172 ?        ?        34.70351 16.68370 ?              ?        
1 1 1 -27 11 6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 11 7  o 33.75657 16.54461 -97.79409      50.98531 0.000000      0.000000 -97.79409      50.98531 ?        ?        33.75657 16.54461 ?              ?        
1 1 1 -27 11 8  o 42.55387 19.17111 -5.197129      46.30383 0.000000      0.000000 -5.197129      46.30383 ?        ?        42.55387 19.17111 ?              ?        
1 1 1 -27 11 9  o 142.3629 8.461542 281.9597       32.00650 238.0995      46.29100 322.1326       44.30250 131.3378 13.08951 153.3879 10.72640 -22.05006      16.92308 
1 1 1 -27 11 10 o 125.1958 9.026327 214.9462       30.04538 173.0343      41.66409 260.3570       43.36830 112.2849 13.78025 138.1067 11.66203 -25.82178      18.05265 
1 1 1 -27 11 11 o 47.79295 12.52260 -18.35657      29.64973 -107.2133     42.75809 63.94308       41.15021 28.31605 14.10327 67.26986 20.69685 -38.95381      25.04519 
1 1 1 -27 11 12 o 110.0348 10.47847 164.6371       30.82555 184.8057      47.15448 149.5864       40.73457 115.7949 15.12343 104.2748 14.50776 11.52007       20.95694 
1 1 1 -27 11 13 o 309.9406 7.317591 1300.568       61.07030 0.000000      0.000000 1300.568       61.07030 ?        ?        309.9406 7.317591 ?              ?        
1 1 1 -27 11 14 o 237.8475 8.018086 766.7529       51.35145 0.000000      0.000000 766.7529       51.35145 ?        ?        237.8475 8.018086 ?              ?        
1 1 1 -27 11 15 o 53.74519 14.04820 30.55883       25.41645 25.05219      30.72006 42.50694       45.25103 47.86512 17.81860 59.62525 21.72337 -11.76012      28.09639 
1 1 1 -27 11 16 o 76.50364 12.80347 90.90661       26.17377 109.9400      32.02420 52.61074       45.42519 89.57431 13.27735 63.43297 21.89583 26.14134       25.60695 
1 1 1 -27 11 17 o 37.91547 12.18331 -20.34288      26.90259 -6.039126     33.13643 -48.00272      46.07925 38.41648 16.81557 37.41446 17.63431 1.002022       24.36662 
1 1 1 -27 11 18 o 104.2720 12.16765 179.6321       29.42772 230.3945      37.18374 94.54430       48.14108 129.4754 10.66553 79.06857 21.87357 50.40688       24.33529 
1 1 1 -27 11 19 o 59.88747 12.32333 40.10682       32.00700 114.3721      40.35332 -85.86692      52.55651 85.60532 18.07359 34.16961 16.75720 51.43572       24.64667 
1 1 1 -27 11 20 o 38.37384 18.69024 -108.5021      62.16769 0.000000      0.000000 -108.5021      62.16769 ?        ?        38.37384 18.69024 ?              ?        
1 1 1 -27 11 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 11 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 11 23 o 145.9132 7.307739 288.1461       28.43451 330.3826      44.11459 258.1270       37.19099 154.8270 10.58162 136.9995 10.08174 17.82748       14.61548 
1 1 1 -27 11 24 o 54.06593 12.91254 25.71996       25.83450 82.68324      40.67959 -12.78342      33.44479 72.41534 20.13371 35.71650 16.17307 36.69884       25.82508 
1 1 1 -27 11 25 o 36.57156 11.77459 -16.21852      24.78746 -9.364887     39.80568 -20.55942      31.67923 40.12257 17.94868 33.02056 15.24496 7.102009       23.54918 
1 1 1 -27 11 26 o 71.35160 12.93556 73.16780       27.28611 135.1439      42.69614 30.38036       35.47600 93.49695 17.60525 49.20625 18.95707 44.29070       25.87112 
1 1 1 -27 11 27 o 48.56359 12.70041 15.77661       28.43123 -56.60589     44.20513 66.84258       37.12972 33.22611 16.08410 63.90107 19.65970 -30.67495      25.40083 
1 1 1 -27 11 28 o 60.72290 13.74251 64.13160       28.93170 19.30819      46.68511 92.07973       36.86399 47.22540 20.31876 74.22040 18.50875 -26.99500      27.48501 
1 1 1 -27 11 29 o 35.74333 11.88441 -24.87047      30.44599 -77.83927     52.97018 1.262026       37.20590 33.15426 16.36809 38.33240 17.23491 -5.178139      23.76882 
1 1 1 -27 11 30 o 45.83974 14.08787 30.48279       31.39928 39.54774      51.99993 25.28089       39.39136 48.35464 21.11789 43.32485 18.65227 5.029789       28.17575 
1 1 1 -27 13 1  o 41.96309 12.53205 12.28533       24.08030 7.312174      38.20106 15.56431       31.01910 42.18491 18.26421 41.74126 17.16473 0.4436493      25.06410 
1 1 1 -27 13 2  o 61.81783 12.64377 61.65996       25.03985 21.67727      38.63771 90.61193       32.87869 47.01093 19.22394 76.62474 16.42863 -29.61382      25.28754 
1 1 1 -27 13 3  o 53.47432 13.67231 39.05856       25.63598 27.66207      38.92951 47.78487       34.06502 50.05618 19.69354 56.89246 18.97084 -6.836285      27.34463 
1 1 1 -27 13 4  o 254.1601 5.502476 886.4712       37.64738 901.4080      52.96414 871.2175       53.52314 256.3912 7.671766 251.9290 7.890055 4.462204       11.00495 
1 1 1 -27 13 5  o 56.46532 14.35767 43.96087       28.30819 30.85005      40.51395 56.46809       39.57038 51.68534 20.16145 61.24530 20.44717 -9.559956      28.71534 
1 1 1 -27 13 6  o 150.5081 8.196253 312.0988       32.81367 250.7430      44.77984 383.2503       48.22221 134.3148 12.38155 166.7014 10.74297 -32.38660      16.39251 
1 1 1 -27 13 7  o 34.48460 11.78082 -76.88139      33.54506 -131.8520     45.83848 -13.49664      49.22177 26.79096 13.51547 42.17825 19.29982 -15.38729      23.56164 
1 1 1 -27 13 8  o 76.56792 15.91934 73.42002       39.68401 14.46429      53.18540 147.4668       59.60497 53.56892 22.29232 99.56691 22.73222 -45.99799      31.83868 
1 1 1 -27 13 9  o 253.1506 10.07868 868.2672       68.70142 0.000000      0.000000 868.2672       68.70142 ?        ?        253.1506 10.07868 ?              ?        
1 1 1 -27 13 10 o 298.2282 9.155141 1203.459       73.51859 0.000000      0.000000 1203.459       73.51859 ?        ?        298.2282 9.155141 ?              ?        
1 1 1 -27 13 11 o 32.86590 16.32721 -176.0540      39.13124 -134.3330     55.82436 -216.3576      54.86790 32.86590 16.32721 ?        ?        ?              ?        
1 1 1 -27 13 12 o ?        ?        -406.0948      37.28775 -313.7824     52.52875 -499.8560      52.93934 ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 13 o ?        ?        -285.8824      32.05515 -255.3969     40.20043 -339.1067      53.11774 ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 14 o ?        ?        -291.4680      55.31773 0.000000      0.000000 -291.4680      55.31773 ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 19 o 46.60299 21.43822 -150.3156      36.55697 -213.4700     45.32056 -32.69121      61.85035 ?        ?        46.60299 21.43822 ?              ?        
1 1 1 -27 13 20 o 36.95284 17.08293 -23.81332      39.97274 -23.81332     39.97274 0.000000       0.000000 36.95284 17.08293 ?        ?        ?              ?        
1 1 1 -27 13 21 o 49.62462 12.77017 19.47951       25.95514 -23.48248     37.60978 58.54692       35.86459 36.31602 16.71022 62.93322 19.31521 -26.61720      25.54034 
1 1 1 -27 13 22 o 112.5031 8.777795 166.1508       25.58751 246.3971      42.99759 122.1509       31.83882 132.1764 12.08111 92.82973 12.73757 39.34669       17.55559 
1 1 1 -27 13 23 o 32.76320 11.02829 -35.21330      24.72622 -42.08679     43.88578 -32.01656      29.92877 35.98661 17.03653 29.53978 14.00891 6.446836       22.05658 
1 1 1 -27 13 24 o 72.57639 21.40362 84.81666       44.68373 84.81666      44.68373 0.000000       0.000000 72.57639 21.40362 ?        ?        ?              ?        
1 1 1 -27 13 25 o 57.67079 14.26755 46.45654       28.12372 77.06482      43.42835 24.34903       36.90827 68.13505 21.31166 47.20653 18.97538 20.92852       28.53510 
1 1 1 -27 13 26 o 59.31012 14.96741 56.75139       29.57430 60.62741      48.21571 54.41356       37.44568 60.65543 22.37393 57.96481 19.88721 2.690624       29.93483 
1 1 1 -27 13 27 o 55.03148 14.35904 50.15215       29.47307 27.00341      45.63131 66.72201       38.60634 48.43427 20.43375 61.62868 20.17895 -13.19441      28.71808 
1 1 1 -27 13 28 f 75.07076 14.79159 134.1918       36.49765 22.00877      104.2266 149.8706       38.96474 53.33449 25.52888 96.80702 14.94795 -43.47253      29.58318 
1 1 1 -27 13 29 o 47.34273 14.86091 34.04253       39.24731 -83.09300     105.2378 52.96613       42.29894 43.09002 21.56327 51.59544 20.45513 -8.505424      29.72182 
1 1 1 -27 15 1  o 50.11208 12.71230 34.20454       24.35714 69.25401      35.40949 2.725537       33.55748 62.59081 19.18930 37.63335 16.67877 24.95746       25.42460 
1 1 1 -27 15 2  o 47.82942 12.44012 25.38005       23.71156 60.26429      34.33586 -6.422819      32.78435 60.00066 18.97584 35.65818 16.09172 24.34248       24.88023 
1 1 1 -27 15 3  o 212.9918 5.106614 626.0377       29.28053 644.2743      41.59906 608.1307       41.22137 216.1185 7.148390 209.8651 7.294556 6.253418       10.21323 
1 1 1 -27 15 4  o 77.65163 12.32416 92.44191       25.14908 118.6318      38.34218 72.66689       33.31720 87.63498 16.86072 67.66829 17.97932 19.96669       24.64832 
1 1 1 -27 15 5  o 85.13614 12.52987 109.5351       27.53208 125.6479      42.70683 98.07599       36.01527 90.25619 18.20086 80.01610 17.22554 10.24009       25.05974 
1 1 1 -27 15 6  o 53.34846 13.15481 31.88059       26.10499 68.56561      37.50320 -2.600892      36.35942 66.69118 19.59176 40.00575 17.56015 26.68543       26.30962 
1 1 1 -27 15 7  f 43.95633 12.88463 13.81238       23.94583 14.23975      29.37382 12.96565       41.34541 41.56173 16.84995 46.35093 19.49702 -4.789192      25.76926 
1 1 1 -27 15 8  o 47.54781 13.30741 6.340815       23.95198 -12.26025     27.89412 58.55307       46.73368 32.46862 14.72964 62.62700 22.16723 -30.15837      26.61482 
1 1 1 -27 15 9  o 227.6440 8.583973 711.1017       52.61723 0.000000      0.000000 711.1017       52.61723 ?        ?        227.6440 8.583973 ?              ?        
1 1 1 -27 15 10 o 81.98482 13.58286 100.2075       28.55161 98.72028      35.57127 102.9010       47.87020 81.95599 16.68604 82.01365 21.43717 -0.5766296E-01 27.16571 
1 1 1 -27 15 11 o 79.86354 12.75916 90.51825       24.39487 84.72955      28.45858 106.5574       47.37114 76.45171 14.35136 83.27537 21.10032 -6.823662      25.51833 
1 1 1 -27 15 12 o 177.4655 6.738344 440.3839       30.72092 454.3396      38.49827 415.9180       50.97371 182.1053 7.851183 172.8257 10.95354 9.279633       13.47669 
1 1 1 -27 15 13 o 32.60360 10.97746 -49.23056      27.99323 -15.23608     33.96608 -121.2128      49.42583 35.44635 16.14720 29.76085 14.87570 5.685499       21.95492 
1 1 1 -27 15 14 o 113.4328 12.06255 244.2751       29.12099 340.5285      36.55131 76.99682       48.18528 157.1781 8.636297 69.68760 22.52631 87.49047       24.12510 
1 1 1 -27 15 15 o 137.2298 9.891425 298.5611       30.43333 428.9875      41.25568 142.8604       45.07609 176.7156 8.670128 97.74395 17.78173 78.97164       19.78285 
1 1 1 -27 15 16 o 38.72042 12.01068 -16.25383      26.57193 16.52358      34.63985 -63.11618      41.41911 45.43050 18.34017 32.01035 15.51336 13.42015       24.02137 
1 1 1 -27 15 17 o 63.62030 11.00520 58.19210       23.66304 106.9046      31.60927 -3.910838      35.69032 87.42209 13.42796 39.81850 17.43983 47.60358       22.01040 
1 1 1 -27 15 18 o 93.00391 11.15262 134.5836       25.50734 163.0412      33.13152 93.16933       39.96846 108.1197 11.38029 77.88813 19.18367 30.23156       22.30524 
1 1 1 -27 15 19 o 42.63350 12.18976 5.342579       24.34760 37.12361      33.51661 -30.16717      35.42827 52.03368 18.73462 33.23332 15.60047 18.80036       24.37951 
1 1 1 -27 15 20 o 50.23755 12.97474 28.34094       25.55584 -6.765384     38.74678 55.37191       33.99959 40.07327 17.83308 60.40182 18.85089 -20.32856      25.94947 
1 1 1 -27 15 21 o 92.91322 10.19585 127.6245       23.77413 113.6310      38.15823 136.5029       30.39434 87.04839 16.88890 98.77805 11.42744 -11.72966      20.39169 
1 1 1 -27 15 22 o 109.0985 8.892665 162.3420       25.35872 203.1378      42.58790 139.9322       31.56437 118.8658 13.30596 99.33125 11.80125 19.53451       17.78533 
1 1 1 -27 15 23 o 40.94847 12.76494 -0.3526838     27.03323 7.104361      42.09662 -5.585967      35.26558 44.05583 19.12349 37.84112 16.91353 6.214706       25.52989 
1 1 1 -27 15 24 o 100.4833 10.83131 154.4862       28.21599 134.5807      40.99100 172.4109       38.89809 92.52362 17.08259 108.4431 13.32119 -15.91943      21.66262 
1 1 1 -27 15 25 o 45.36811 15.17282 -22.88270      35.79684 36.32460      84.00421 -36.01953      39.56934 57.51030 25.87371 33.22592 15.85590 24.28438       30.34565 
1 1 1 -27 15 26 o 43.57254 14.98092 -24.61300      36.03944 24.27223      95.23588 -32.78362      38.93492 54.37328 25.54125 32.77180 15.66386 21.60147       29.96184 
1 1 1 -27 15 27 o 58.68568 16.53198 79.47883       38.17863 59.45625      101.7109 82.76266       41.19060 53.97527 25.66331 63.39611 20.84754 -9.420841      33.06396 
1 1 1 -27 17 1  o 60.15855 19.45663 72.01284       35.94387 72.01284      35.94387 0.000000       0.000000 60.15855 19.45663 ?        ?        ?              ?        
1 1 1 -27 17 2  o 107.8943 7.487598 172.8819       21.63925 178.3689      32.45769 168.4918       29.03294 108.9564 11.06322 106.8322 10.09266 2.124199       14.97520 
1 1 1 -27 17 3  o 108.3971 8.183777 179.1653       22.76945 149.3007      35.89546 199.2724       29.45348 98.84238 13.48693 117.9519 9.273602 -19.10948      16.36755 
1 1 1 -27 17 4  o 119.0133 7.813378 209.3083       23.69254 190.0471      39.25660 220.3438       29.71446 113.0980 12.89064 124.9287 8.833283 -11.83078      15.62676 
1 1 1 -27 17 5  o 69.96672 11.04282 92.64392       24.87627 0.5397738     43.41737 137.6565       30.35226 42.24186 18.83183 97.69158 11.53853 -55.44973      22.08564 
1 1 1 -27 17 6  o 72.21617 11.94526 83.93151       22.92112 67.80962      34.53044 96.63079       30.64670 64.66763 18.74287 79.76472 14.81423 -15.09708      23.89051 
1 1 1 -27 17 7  o 111.7506 8.395905 177.7019       24.79365 136.3845      33.84363 225.5641       36.42559 97.17558 12.93411 126.3256 10.70858 -29.15002      16.79181 
1 1 1 -27 17 8  o 55.27646 11.52880 49.02368       21.96126 74.56613      26.85439 -2.550366      38.15923 70.34931 14.65245 40.20361 17.80332 30.14570       23.05760 
1 1 1 -27 17 9  o 212.7156 5.111131 617.5374       28.10520 610.4427      35.06475 630.2844       47.00147 211.5384 6.155995 213.8928 8.160783 -2.354431      10.22226 
1 1 1 -27 17 10 o 38.67777 11.76998 -18.98078      21.22418 -38.92840     24.93876 33.42153       40.42076 24.79269 12.02072 52.56286 20.23936 -27.77017      23.53995 
1 1 1 -27 17 11 o 71.60007 12.15911 80.80567       21.40155 86.35342      24.64580 63.79635       43.15472 78.51692 11.65726 64.68322 21.34208 13.83370       24.31823 
1 1 1 -27 17 12 o 159.5182 6.544995 339.1049       26.32702 317.9883      31.63743 386.6537       47.47423 152.3350 7.712908 166.7014 10.57634 -14.36642      13.08999 
1 1 1 -27 17 13 o 179.5665 6.354479 466.5570       28.62615 519.4547      35.95621 374.9898       47.30709 195.0525 6.846035 164.0805 10.70745 30.97198       12.70896 
1 1 1 -27 17 14 o 149.1163 6.943616 320.0625       26.68970 371.1275      35.12299 250.2816       41.05802 164.4796 7.930419 133.7530 11.40016 30.72653       13.88723 
1 1 1 -27 17 15 o 132.9988 7.159976 247.7109       25.31203 263.7816      33.96104 227.6263       37.96610 138.2693 9.121615 127.7283 11.03889 10.54105       14.31995 
1 1 1 -27 17 16 o 44.21985 12.55137 14.72184       23.90058 31.73598      32.32197 -5.805492      35.50252 49.71268 18.32181 38.72702 17.15979 10.98566       25.10273 
1 1 1 -27 17 17 o 69.78548 13.75024 89.18563       32.23356 116.1974      35.18809 -51.70477      80.36364 89.96764 14.52533 49.60332 23.35146 40.36432       27.50047 
1 1 1 -27 17 18 o 48.73336 13.20039 27.50296       24.90577 41.92378      34.93277 12.59433       35.51869 54.00246 19.15975 43.46425 18.16330 10.53821       26.40079 
1 1 1 -27 17 19 o 116.3156 8.604660 192.5635       26.89379 207.7509      39.54714 179.4974       36.68144 120.5568 12.18260 112.0744 12.15504 8.482391       17.20932 
1 1 1 -27 17 20 o 60.40930 13.47874 57.43911       25.52668 37.20340      36.33888 77.15173       35.86612 51.61697 19.34728 69.20164 18.77201 -17.58467      26.95748 
1 1 1 -27 17 21 o 69.47778 16.50266 84.01116       33.17155 67.43955      80.81085 87.36926       36.37759 65.49203 27.38512 73.46353 18.42299 -7.971497      33.00532 
1 1 1 -27 17 22 o 50.35816 14.33738 28.83536       34.34921 -109.5646     82.38712 57.95454       37.79035 41.73360 20.56743 58.98272 19.98055 -17.24911      28.67475 
1 1 1 -27 17 23 o 55.56184 16.21258 42.71536       32.77636 68.71794      75.56406 36.68937       36.37653 61.58450 26.15511 49.53917 19.16512 12.04533       32.42517 
1 1 1 -27 17 24 o 42.96271 14.17146 0.8046620      34.67585 -43.11285     84.07626 9.806271       38.06402 45.24540 21.96797 40.68001 17.90890 4.565388       28.34291 
1 1 1 -27 17 25 o 48.04935 13.73645 41.43824       28.97903 -57.06137     84.50003 54.56718       30.84994 41.96175 20.70826 54.13695 18.05349 -12.17519      27.47290 
1 1 1 -27 19 4  o 43.95884 11.21475 30.86349       19.80104 -3.054340     32.42990 51.02451       25.00275 34.23100 15.66417 53.68668 16.05355 -19.45568      22.42951 
1 1 1 -27 19 5  o 35.20903 10.89263 2.856383       20.55820 -16.25101     30.15313 19.45320       28.10244 30.75590 14.42303 39.66216 16.32708 -8.906260      21.78525 
1 1 1 -27 19 6  o 94.19075 7.770920 133.0922       19.15314 147.7161      25.40917 113.8490       29.14722 101.4390 9.302552 86.94249 12.45035 14.49651       15.54184 
1 1 1 -27 19 7  o 83.69232 8.835186 102.6855       19.33780 97.72256      24.39511 111.0766       31.72090 81.87458 11.06548 85.51007 13.77669 -3.635490      17.67037 
1 1 1 -27 19 8  o 123.8718 6.633418 224.8216       20.85369 244.1572      26.29645 192.0559       34.23174 132.4950 7.370790 115.2485 11.03088 17.24654       13.26684 
1 1 1 -27 19 9  o 142.7626 5.957781 288.6212       21.71329 296.6507      27.01289 273.9612       36.50006 146.5284 6.846457 138.9968 9.752265 7.531647       11.91556 
1 1 1 -27 19 10 o 45.17033 11.97273 27.72492       19.96531 34.70241      25.46900 16.60214       32.15652 48.03785 16.40235 42.30280 17.44559 5.735050       23.94547 
1 1 1 -27 19 11 o 39.13050 11.58400 8.912123       21.44039 23.14006      26.14991 -20.26976      37.45034 42.83073 16.33041 35.43027 16.43393 7.400455       23.16800 
1 1 1 -27 19 12 o 85.66087 11.88183 124.8617       24.25750 142.2354      29.22253 86.36073       43.50179 99.97965 10.85482 71.34208 21.13965 28.63757       23.76367 
1 1 1 -27 19 13 o 58.22681 13.06742 56.46627       25.62922 76.84944      31.33370 15.26280       44.54948 69.75654 16.86717 46.69708 19.96318 23.05946       26.13485 
1 1 1 -27 19 14 o 67.74557 11.70602 81.51374       26.79928 124.4831      32.97083 -2.147849      46.00590 92.35571 13.25815 43.13544 19.29626 49.22028       23.41205 
1 1 1 -27 19 15 o 45.75078 12.59133 16.72388       26.23683 50.22412      33.88213 -33.44848      41.46474 56.34184 18.91999 35.15972 16.61928 21.18212       25.18266 
1 1 1 -27 19 16 o 64.57310 15.96315 60.43954       28.75839 51.20583      32.06013 98.46967       65.06403 56.61824 18.38147 72.52798 26.10384 -15.90974      31.92630 
1 1 1 -27 19 17 o 41.77573 13.82468 -16.03334      34.80616 -76.65981     77.93674 -0.9290643     38.90103 43.46373 21.11392 40.08772 17.85187 3.376011       27.64936 
1 1 1 -27 19 18 o 56.34510 16.25835 44.38538       32.91780 51.05255      78.47836 42.96193       36.26194 60.06673 26.09207 52.62346 19.40462 7.443268       32.51670 
1 1 1 -27 19 19 o 46.85360 15.04629 7.479708       33.05207 22.10766      76.79484 4.153979       36.61708 53.92430 24.45428 39.78291 17.53715 14.14139       30.09258 
1 1 1 -27 19 20 o 48.63024 15.47714 10.10419       28.06238 72.63533      81.07661 1.593346       29.91120 61.48979 26.61515 35.77069 15.80511 25.71910       30.95428 
1 1 1 -27 19 21 o 52.19555 16.40989 6.631119       39.18143 121.2208      82.40311 -26.84430      44.53832 68.52102 28.05334 35.87009 17.03373 32.65093       32.81978 
1 1 1 -27 19 22 o 51.01057 15.72681 37.08861       29.35872 85.06431      86.32992 30.81454       31.21945 57.79996 26.09553 44.22118 17.56001 13.57878       31.45363 
1 1 1 -27 19 23 o 43.47385 13.64664 24.01951       27.81746 -31.96925     83.70174 30.97129       29.49391 43.34935 21.23598 43.59834 17.14516 -0.2489853     27.29329 
1 1 1 -27 21 8  o 42.54794 12.17257 27.54460       21.41519 25.76880      28.07831 30.01413       33.11159 41.39010 16.58120 43.70577 17.82553 -2.315670      24.34514 
1 1 1 -27 21 9  o 35.42680 10.80744 -6.794785      22.23734 33.70750      29.99306 -56.23730      33.13837 44.92151 17.39585 25.93209 12.82917 18.98943       21.61488 
1 1 1 -27 21 10 o 58.87481 12.53013 63.81107       22.04702 77.13095      30.70585 49.63700       31.67513 65.76672 17.15864 51.98289 18.26464 13.78383       25.06025 
1 1 1 -27 21 11 o 51.80103 15.37875 47.53469       38.46711 -3.333626     74.70315 65.88965       44.87371 46.26716 21.99701 57.33491 21.49781 -11.06775      30.75751 
1 1 1 -27 21 12 o 46.49237 14.79827 18.57825       39.58321 -35.27721     77.28709 37.72793       46.08641 43.81102 21.22241 49.17372 20.62922 -5.362705      29.59654 
1 1 1 -27 21 13 f 48.98792 15.53157 27.65274       41.24194 5.458325      77.77756 36.33410       48.64365 48.61354 22.91200 49.36230 20.97520 -0.7487640     31.06314 
1 1 1 -27 21 14 o 54.83208 17.35634 51.74177       52.80539 38.84689      84.32497 60.06054       67.72942 53.62267 24.79716 56.04150 24.29138 -2.418835      34.71269 
1 1 1 -27 21 15 o 47.36282 15.14926 23.20995       32.76369 26.62413      86.53406 22.63861       35.39910 51.79984 24.33690 42.92580 18.04761 8.874046       30.29853 
1 1 1 -27 21 16 o 36.76930 12.99801 -39.42534      28.20648 3.119698      79.99941 -45.46518      30.14220 47.64959 22.68540 25.88901 12.69511 21.76058       25.99602 
1 1 1 -27 21 17 o 83.28551 19.81483 187.4655       57.36101 278.3379      85.35112 112.6141       77.46281 103.2796 29.32307 63.29140 26.65836 39.98822       39.62967 
1 1 1 -27 21 18 o 62.37336 14.65145 93.96324       36.75518 -8.563541     81.69347 119.9845       41.15594 45.38650 21.94514 79.36021 19.41829 -33.97371      29.30289 
1 1 1 -27 21 19 o 84.42656 15.05355 178.6478       39.48095 97.91309      82.28229 202.7947       44.99944 58.52650 26.01900 110.3266 15.14759 -51.80012      30.10710 
1 1 1 -26 0  1  o 66.47688 19.27786 85.59933       34.30864 94.33690      48.67991 76.97584       48.36114 70.92850 27.05531 62.02525 27.46914 -0.000000      0.000000 
1 1 1 -26 0  2  o 59.99464 19.05109 71.05508       34.47648 93.53912      49.51536 49.89742       48.03265 70.29672 27.40818 49.69255 26.46824 -0.000000      0.000000 
1 1 1 -26 0  3  o 133.1690 11.76671 256.4142       39.20200 225.1968      58.93349 281.1899       52.50219 124.4446 18.87307 141.8933 14.05806 -0.000000      0.000000 
1 1 1 -26 0  4  o 203.2477 7.218325 559.4568       39.10988 597.8407      58.68983 528.7967       52.45354 209.4668 10.46512 197.0287 9.944751 -0.000000      0.000000 
1 1 1 -26 0  5  f 237.1183 6.804890 762.6608       43.24110 811.8885      62.25028 716.7596       60.11017 244.5688 9.485120 229.6677 9.760051 -0.000000      0.000000 
1 1 1 -26 0  6  o 91.98923 13.63487 129.7583       29.55922 115.2097      41.98618 144.0558       41.62230 85.16387 21.15678 98.81458 17.20551 -0.000000      0.000000 
1 1 1 -26 0  7  o 45.96103 17.08310 40.73209       29.15587 55.05845      40.38641 25.13880       42.13436 52.30307 24.99135 39.61899 23.29725 -0.000000      0.000000 
1 1 1 -26 0  8  o 416.5164 7.229103 2334.974       80.42438 2245.599      106.8572 2451.750       122.1440 407.4503 9.752324 425.5825 10.67389 -0.000000      0.000000 
1 1 1 -26 0  9  o 420.4115 7.265235 2393.825       82.01508 2442.148      113.6969 2341.404       118.4210 424.9121 9.949567 415.9109 10.58965 -0.000000      0.000000 
1 1 1 -26 0  10 o 362.8459 6.662538 1778.734       64.59728 1767.107      86.56583 1793.344       97.03696 361.5899 8.903114 364.1020 9.914241 -0.000000      0.000000 
1 1 1 -26 0  11 o 499.8160 8.106812 3378.759       108.9556 3412.480      153.1484 3344.198       155.0422 502.3705 11.33455 497.2616 11.59351 -0.000000      0.000000 
1 1 1 -26 0  12 o 204.8866 6.392920 566.0472       34.73605 547.6736      45.57198 591.5232       53.66185 201.0148 8.453500 208.7584 9.592498 -0.000000      0.000000 
1 1 1 -26 0  13 o 93.57307 13.64869 141.5851       28.30746 179.5717      38.03213 94.40205       42.38653 113.1606 12.91663 73.98553 24.04802 -0.000000      0.000000 
1 1 1 -26 0  14 o 100.1569 12.18749 147.0368       29.93428 143.1335      41.56177 151.2440       43.14982 98.68244 17.20806 101.6314 17.26333 -0.000000      0.000000 
1 1 1 -26 0  15 o 675.4480 10.50347 6166.491       190.4707 6421.163      279.8606 5946.733       259.9703 688.3503 15.11548 662.5458 14.58814 -0.000000      0.000000 
1 1 1 -26 0  16 o 311.5522 6.495877 1312.721       54.37248 1271.268      76.15401 1355.827       77.65660 306.5141 9.246008 316.5903 9.126719 -0.000000      0.000000 
1 1 1 -26 0  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  18 o 337.0656 6.814003 1527.319       61.47070 1651.615      92.25117 1428.058       82.43935 349.3101 9.825515 324.8212 9.443610 -0.000000      0.000000 
1 1 1 -26 0  19 o 182.0737 8.305615 454.1881       39.56150 452.6498      62.13810 455.2368       51.30288 181.5056 12.86246 182.6419 10.51143 -0.000000      0.000000 
1 1 1 -26 0  20 o 28.41168 13.83153 -48.14679      35.96463 -5.276274     50.08023 -93.80151      51.68086 33.92593 22.18993 22.89743 16.51822 -0.000000      0.000000 
1 1 1 -26 0  21 o 30.51165 14.59646 -22.73525      34.94547 -23.97127     46.39487 -21.11450      53.12713 29.00015 19.69392 32.02314 21.54940 -0.000000      0.000000 
1 1 1 -26 0  22 o 56.37489 16.86578 35.45824       31.29062 -5.234363     37.89263 122.6885       55.47926 29.27953 19.20385 83.47025 27.73140 -0.000000      0.000000 
1 1 1 -26 0  23 o ?        ?        -165.0544      29.98540 -133.8294     35.23072 -247.1266      57.11736 ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -26 0  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  25 o 26.95373 13.57882 -68.34742      39.90530 -43.96584     46.22589 -139.6664      79.05998 25.73976 17.99949 28.16770 20.33607 -0.000000      0.000000 
1 1 1 -26 0  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  27 o 36.95564 18.01359 -49.62468      52.89354 -85.93305     64.95498 21.83954       91.12831 27.20985 19.45200 46.70144 30.32454 -0.000000      0.000000 
1 1 1 -26 0  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  29 o 32.74033 15.49395 -14.63760      37.78058 -30.19153     51.42690 3.599698       55.68660 29.13816 20.03714 36.34251 23.63817 -0.000000      0.000000 
1 1 1 -26 0  30 o 225.8929 8.595769 719.6151       51.31396 759.2944      68.89133 670.1661       76.90620 233.7733 10.99975 218.0124 13.21191 -0.000000      0.000000 
1 1 1 -26 0  31 o 41.51350 18.41070 29.88104       42.32119 31.10365      55.03072 28.11123       66.21037 40.96936 25.31595 42.05765 26.73795 -0.000000      0.000000 
1 1 1 -26 0  32 o 93.80843 19.37484 169.8707       42.49907 171.6842      60.35889 168.0876       59.84986 94.45484 27.35000 93.16201 27.45022 -0.000000      0.000000 
1 1 1 -26 0  33 o 29.77687 14.82061 -33.62338      45.67894 -26.00581     69.80306 -39.32873      60.40983 31.48783 22.04035 28.06591 19.81980 -0.000000      0.000000 
1 1 1 -26 2  1  o 63.38490 13.45609 56.62392       25.25358 72.27044      36.25899 41.88407       35.19278 70.44004 18.77557 56.32977 19.28065 14.11028       26.91218 
1 1 1 -26 2  2  o 157.0773 6.662395 336.9572       28.03590 360.8606      38.73923 310.6693       40.62550 163.0455 8.823863 151.1091 9.984461 11.93639       13.32479 
1 1 1 -26 2  3  o 123.7783 7.597177 208.3743       25.31792 204.7076      35.48960 212.1743       36.12885 122.6697 10.74436 124.8869 10.74370 -2.217224      15.19435 
1 1 1 -26 2  4  o 332.2113 4.773374 1490.677       42.68273 1520.281      61.42014 1463.027       59.35768 335.3900 6.801072 329.0327 6.699687 6.357300       9.546747 
1 1 1 -26 2  5  o 181.9953 5.094172 448.1823       24.93154 441.0531      36.02651 454.7345       34.53763 180.5828 7.409050 183.4078 6.993448 -2.825027      10.18834 
1 1 1 -26 2  6  o 220.2867 4.567276 655.4521       27.09097 653.8339      38.36779 657.0609       38.25729 220.0137 6.476401 220.5598 6.441761 -0.5460968     9.134553 
1 1 1 -26 2  7  o 127.9385 6.533999 222.0317       22.34974 256.7453      32.04254 189.1420       31.18934 137.7404 8.639372 118.1366 9.804786 19.60378       13.06800 
1 1 1 -26 2  8  f 317.5963 4.493343 1360.864       38.41779 1330.721      53.66634 1392.549       55.02091 313.9915 6.347472 321.2012 6.361613 -7.209717      8.986686 
1 1 1 -26 2  9  f 220.7961 4.378268 658.0389       26.01325 661.2107      36.18977 654.6484       37.41752 221.3569 6.071687 220.2354 6.309638 1.121445       8.756536 
1 1 1 -26 2  10 o 108.9076 7.024893 160.6905       20.58656 155.9700      29.35186 165.2610       28.88141 107.3186 10.15728 110.4967 9.707017 -3.178108      14.04979 
1 1 1 -26 2  11 o 232.6584 4.226409 730.0425       26.47655 737.3051      37.48484 722.8118       37.40227 233.8147 5.953886 231.5021 6.000115 2.312576       8.452819 
1 1 1 -26 2  12 o 158.4778 4.881557 337.9540       20.79413 353.3534      30.53523 324.6368       28.39587 161.8305 7.007410 155.1251 6.798134 6.705383       9.763115 
1 1 1 -26 2  13 o 123.2701 6.418418 203.3189       21.20001 228.0511      31.90215 183.7596       28.37033 129.9163 9.119537 116.6238 9.034289 13.29255       12.83684 
1 1 1 -26 2  14 o 472.5540 5.478739 3014.258       69.69523 3026.320      99.79422 3002.773       97.37807 473.4637 7.827721 471.6442 7.667667 1.819458       10.95748 
1 1 1 -26 2  15 f 315.3752 6.275369 1341.748       53.29054 0.000000      0.000000 1341.748       53.29054 ?        ?        315.3752 6.275369 ?              ?        
1 1 1 -26 2  16 o 146.0205 6.068406 288.0424       23.82214 292.9058      34.80529 283.7561       32.67473 147.1640 8.783351 144.8770 8.375855 2.287033       12.13681 
1 1 1 -26 2  17 o 93.22033 9.765482 122.6487       23.32855 98.87685      34.25644 143.2073       31.85717 83.73223 15.77242 102.7084 11.51908 -18.97620      19.53096 
1 1 1 -26 2  18 o 243.3524 4.789203 798.2874       31.35582 837.6174      45.43409 762.5186       43.32847 249.0660 6.774605 237.6388 6.771307 11.42717       9.578406 
1 1 1 -26 2  19 f 149.0035 6.604498 299.8691       26.40556 266.3696      36.36086 337.2499       38.40948 140.1956 9.632000 157.8114 9.038925 -17.61580      13.20900 
1 1 1 -26 2  20 o 139.4886 6.955997 263.6111       25.70863 261.9818      33.45431 265.9612       40.17688 139.0559 8.934689 139.9214 10.66372 -0.8655396     13.91199 
1 1 1 -26 2  21 o 144.6743 6.656788 296.3622       24.45494 330.0535      31.02877 241.1205       39.73187 156.2131 7.376726 133.1356 11.08311 23.07753       13.31358 
1 1 1 -26 2  22 o 109.0024 8.022326 164.0353       23.11197 177.5886      30.74280 146.4186       35.04956 114.3855 9.981341 103.6193 12.56199 10.76624       16.04465 
1 1 1 -26 2  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  24 o 122.7643 11.35427 205.6412       37.53310 205.6412      37.53310 0.000000       0.000000 122.7643 11.35427 ?        ?        ?              ?        
1 1 1 -26 2  25 o 39.71732 12.66073 -17.34644      29.09349 -34.71377     41.25098 -0.1574364     41.03865 36.11812 16.91595 43.31651 18.84217 -7.198387      25.32146 
1 1 1 -26 2  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  27 o 33.24708 16.20627 -66.37260      47.01034 -66.37260     47.01034 0.000000       0.000000 33.24708 16.20627 ?        ?        ?              ?        
1 1 1 -26 2  28 o 82.04054 12.33110 102.8349       29.18155 33.56857      40.69151 176.1773       41.87168 52.84269 20.31764 111.2384 13.97920 -58.39571      24.66221 
1 1 1 -26 2  29 o 156.0149 8.918936 335.4512       37.46817 0.000000      0.000000 335.4512       37.46817 ?        ?        156.0149 8.918936 ?              ?        
1 1 1 -26 2  30 o 56.91692 14.46468 49.08957       28.38505 42.43764      41.30595 55.04148       39.07216 54.62527 20.59682 59.20856 20.31449 -4.583290      28.92935 
1 1 1 -26 2  31 o 48.24762 14.21613 24.67533       30.64034 29.95949      44.40033 19.87082       42.33722 49.94735 20.53722 46.54788 19.66255 3.399475       28.43226 
1 1 1 -26 2  32 o 70.37065 14.34814 90.02927       29.79477 123.4178      43.96687 61.67537       40.51661 82.82086 19.95182 57.92044 20.62527 24.90042       28.69628 
1 1 1 -26 2  33 o 49.32780 14.53742 41.76394       33.16721 69.48978      47.82985 16.08239       46.03279 56.27059 21.91841 42.38503 19.10313 13.88556       29.07483 
1 1 1 -26 4  1  o 192.8100 6.127770 516.7678       31.72499 523.5281      46.75661 511.0001       43.18747 193.7610 8.961761 191.8589 8.359731 1.902023       12.25554 
1 1 1 -26 4  2  o 130.1104 8.046521 231.6495       27.95597 225.0146      41.99425 236.9301       37.46391 128.3122 12.15454 131.9087 10.54766 -3.596466      16.09304 
1 1 1 -26 4  3  o 190.5977 5.965047 489.9144       30.52268 530.4297      45.33171 456.3130       41.28299 197.7532 8.513247 183.4421 8.357737 14.31102       11.93009 
1 1 1 -26 4  4  f 129.2391 7.292389 227.0639       25.34723 221.2153      36.44521 232.5434       35.27617 127.5931 10.60791 130.8851 10.00939 -3.292068      14.58478 
1 1 1 -26 4  5  o 49.58766 12.05941 26.00080       21.78386 52.04570      30.04555 -2.862570      31.62950 60.66957 17.45431 38.50574 16.64525 22.16383       24.11882 
1 1 1 -26 4  6  o 118.6359 6.724512 190.3927       21.42278 184.5962      29.06737 197.2849       31.69575 116.6877 9.251185 120.5841 9.761751 -3.896408      13.44902 
1 1 1 -26 4  7  o 148.1794 5.662951 297.1222       22.46271 297.6470      30.19509 296.4718       33.61327 148.3653 7.558239 147.9935 8.434990 0.3717651      11.32590 
1 1 1 -26 4  8  o 264.8503 4.371814 946.6226       31.14032 942.4282      42.95347 951.2695       45.21136 264.2480 6.036750 265.4526 6.325243 -1.204620      8.743629 
1 1 1 -26 4  9  o 187.1080 4.851739 473.5305       24.34829 525.8156      34.64055 422.4760       34.23046 197.3604 6.518407 176.8557 7.188037 20.50464       9.703479 
1 1 1 -26 4  10 o 116.5113 6.509257 184.4788       20.32944 166.7959      29.03648 201.4810       28.47218 110.9774 9.716866 122.0452 8.663960 -11.06786      13.01851 
1 1 1 -26 4  11 o 175.7680 4.713004 415.1613       22.25278 454.2504      32.71400 381.4992       30.35824 183.4358 6.623176 168.1002 6.706948 15.33556       9.426007 
1 1 1 -26 4  12 o 386.4469 4.819297 2014.583       50.06265 2042.782      73.18768 1989.785       68.63042 388.9591 6.987964 383.9347 6.638590 5.024384       9.638595 
1 1 1 -26 4  13 o 275.8817 4.336694 1023.087       32.01407 1060.329      48.40544 994.1312       42.68219 280.2992 6.413408 271.4642 5.839165 8.835022       8.673388 
1 1 1 -26 4  14 o 281.5321 5.895830 1069.340       44.69473 0.000000      0.000000 1069.340       44.69473 ?        ?        281.5321 5.895830 ?              ?        
1 1 1 -26 4  15 o 287.5682 4.531933 1113.568       34.94820 1144.250      52.12702 1088.515       47.10247 291.1300 6.649555 284.0065 6.159309 7.123474       9.063867 
1 1 1 -26 4  16 o 51.02322 13.02689 30.07652       23.08964 22.42758      34.62165 36.20382       30.98717 48.80898 18.74718 53.23746 18.09260 -4.428482      26.05377 
1 1 1 -26 4  17 o 141.9633 6.942564 269.4228       26.36201 313.0490      39.91870 235.6814       35.10625 152.0273 9.751495 131.8993 9.884590 20.12807       13.88513 
1 1 1 -26 4  18 o 183.0765 5.580723 451.8922       27.46895 485.8476      40.04272 421.7101       37.75231 189.5583 7.845078 176.5946 7.939309 12.96373       11.16145 
1 1 1 -26 4  19 o 157.6319 6.025033 324.9679       25.08517 279.2994      31.90845 398.8657       40.58945 143.6537 8.249081 171.6101 8.783892 -27.95638      12.05007 
1 1 1 -26 4  20 o 403.8093 5.136185 2195.394       55.60285 2109.246      74.64195 2302.801       83.34444 395.0060 7.017719 412.6126 7.501545 -17.60669      10.27237 
1 1 1 -26 4  21 o 59.10547 13.22134 42.33773       22.99282 28.90459      28.24010 68.75444       39.60197 48.74981 17.23428 69.46112 20.05480 -20.71131      26.44269 
1 1 1 -26 4  22 o 45.64515 18.99629 7.853164       38.62467 0.000000      0.000000 7.853164       38.62467 ?        ?        45.64515 18.99629 ?              ?        
1 1 1 -26 4  23 o 194.1809 6.276474 521.5882       32.17026 585.4883      43.32656 443.0717       48.02687 207.8803 7.740296 180.4816 9.882526 27.39870       12.55295 
1 1 1 -26 4  24 o 46.05570 13.62648 1.781218       28.81621 -15.88295     38.39353 24.56840       43.60706 39.13366 17.55820 52.97774 20.84307 -13.84407      27.25297 
1 1 1 -26 4  25 o 27.68781 9.856358 -131.4913      32.46691 -166.9059     45.12613 -93.48685      46.74706 24.52843 12.48306 30.84719 15.25661 -6.318754      19.71272 
1 1 1 -26 4  26 o 655.8735 10.68361 5833.850       188.6782 0.000000      0.000000 5833.850       188.6782 ?        ?        655.8735 10.68361 ?              ?        
1 1 1 -26 4  27 o 69.15671 13.98841 72.97053       29.84044 33.11163      44.20211 106.3477       40.44875 54.26149 21.08881 84.05192 18.38380 -29.79043      27.97681 
1 1 1 -26 4  28 o 55.00616 13.41170 38.04944       26.36362 70.56686      37.99592 7.860502       36.61026 67.21748 19.71255 42.79485 18.19094 24.42263       26.82340 
1 1 1 -26 4  29 o 67.75880 13.38484 72.46626       25.95881 53.65350      39.35468 86.95560       34.53777 59.97795 20.38955 75.53967 17.34595 -15.56171      26.76967 
1 1 1 -26 4  30 o 31.42643 10.79205 -57.08160      28.72508 -64.54366     42.39960 -50.75093      39.05321 31.40654 15.32710 31.44631 15.19716 -0.3976822E-01 21.58410 
1 1 1 -26 4  31 o 85.03013 13.50050 122.3849       29.99215 113.3740      45.63111 129.2386       39.79578 80.44841 20.88230 89.61185 17.11676 -9.163437      27.00100 
1 1 1 -26 4  32 o 41.71973 12.76147 -0.9376262     30.28548 -58.58149     44.90754 47.15030       41.01670 31.66477 15.52096 51.77468 20.26130 -20.10992      25.52294 
1 1 1 -26 6  1  o 149.0000 8.434462 302.7483       33.21420 297.7257      51.97702 306.2147       43.18061 147.8027 13.06007 150.1974 10.67685 -2.394638      16.86892 
1 1 1 -26 6  2  o 166.2263 6.720054 380.4329       29.42948 360.1703      45.97502 394.4993       38.30587 162.1855 10.52753 170.2671 8.355095 -8.081558      13.44011 
1 1 1 -26 6  3  o 270.3766 5.144723 982.9905       37.25508 1052.323      56.30170 928.9879       49.68902 278.7533 7.500982 262.0000 7.043294 16.75333       10.28945 
1 1 1 -26 6  4  o 38.35637 11.76804 -20.59195      25.45339 -66.39691     37.58247 18.22205       34.59579 29.76698 14.50561 46.94577 18.53469 -17.17879      23.53609 
1 1 1 -26 6  5  o 111.0024 7.876059 167.5047       23.43222 189.7684      33.73300 146.7449       32.57373 118.1800 10.60053 103.8249 11.65152 14.35512       15.75212 
1 1 1 -26 6  6  o 443.8449 5.402153 2663.791       64.54079 2730.585      92.75735 2601.103       89.86047 449.2270 7.668300 438.4629 7.611189 10.76410       10.80431 
1 1 1 -26 6  7  o 109.7673 7.254202 163.5374       21.30342 162.8256      28.53118 164.4342       32.02594 109.5501 9.672162 109.9845 10.81402 -0.4343719     14.50840 
1 1 1 -26 6  8  o 183.2632 4.921827 454.5258       24.14746 460.0703      32.56182 447.7506       35.99501 184.5462 6.552698 181.9802 7.345726 2.566040       9.843655 
1 1 1 -26 6  9  f 47.17856 12.12635 23.97705       20.02182 15.73922      26.76256 34.44860       30.17358 42.27856 16.41562 52.07855 17.85275 -9.799984      24.25270 
1 1 1 -26 6  10 o 115.0136 6.693725 178.5056       20.55478 148.3904      28.16098 212.8435       30.07058 104.6303 9.995550 125.3969 8.905772 -20.76656      13.38745 
1 1 1 -26 6  11 o 107.7444 7.551690 161.4424       21.33412 125.9419      31.26299 192.3825       29.18599 96.26800 12.06049 119.2209 9.091566 -22.95287      15.10338 
1 1 1 -26 6  12 o 136.6169 6.158105 250.5053       22.47621 267.7837      34.41394 237.6526       29.68098 140.6638 9.085916 132.5700 8.314756 8.093765       12.31621 
1 1 1 -26 6  13 o 84.09045 9.787635 92.47115       21.07434 131.3685      34.41997 69.14512       26.65452 98.25630 13.00968 69.92461 14.62666 28.33170       19.57527 
1 1 1 -26 6  14 o 183.5012 6.378612 454.5186       31.51725 0.000000      0.000000 454.5186       31.51725 ?        ?        183.5012 6.378612 ?              ?        
1 1 1 -26 6  15 o 71.89442 11.96732 74.03400       22.29449 70.65359      36.34357 76.07355       28.23003 70.41261 18.81130 73.37625 14.79873 -2.963646      23.93465 
1 1 1 -26 6  16 o 171.2712 5.303425 398.0856       24.19813 384.6445      36.66432 408.4589       32.20948 168.6466 8.073887 173.8958 6.878779 -5.249161      10.60685 
1 1 1 -26 6  17 o 179.4250 5.149553 431.1512       24.76127 383.5947      33.30111 489.9558       37.03048 168.4553 7.341596 190.3947 7.223058 -21.93939      10.29911 
1 1 1 -26 6  18 o 61.60275 12.64123 53.28933       21.42418 54.10944      26.19333 51.63176       37.23837 61.62664 15.73123 61.57885 19.79219 0.4779053E-01  25.28246 
1 1 1 -26 6  19 o 40.67062 12.06286 5.877165       21.24563 10.79988      25.47909 -5.356006      38.48864 39.46259 15.80003 41.87865 18.23211 -2.416069      24.12572 
1 1 1 -26 6  20 o 168.6666 5.588115 375.1010       24.39097 351.2742      30.13196 420.3864       41.54070 161.1992 6.941942 176.1339 8.758857 -14.93466      11.17623 
1 1 1 -26 6  21 o 189.5227 5.633024 500.5248       27.89911 583.3693      37.48825 397.6829       41.76847 207.7676 6.700914 171.2778 9.056578 36.48976       11.26605 
1 1 1 -26 6  22 o 29.10443 14.46066 -105.1841      43.85139 0.000000      0.000000 -105.1841      43.85139 ?        ?        29.10443 14.46066 ?              ?        
1 1 1 -26 6  23 o 238.1823 6.136617 784.8522       38.47135 945.6232      53.41462 611.5568       55.45621 264.2595 7.506651 212.1052 9.709915 52.15425       12.27323 
1 1 1 -26 6  24 o 139.9258 9.262240 281.2118       34.30727 292.6190      45.25306 265.7945       52.60930 144.0954 11.66311 135.7561 14.39195 8.339249       18.52448 
1 1 1 -26 6  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 6  26 o 32.85786 11.35195 -72.76221      33.19610 -79.73759     47.63980 -66.17866      46.28237 32.41629 15.90879 33.29943 16.19806 -0.8831367     22.70390 
1 1 1 -26 6  27 f 159.3678 6.873488 353.9392       29.10814 323.0535      43.61845 378.7372       39.08406 152.6671 10.61064 166.0685 8.740352 -13.40141      13.74698 
1 1 1 -26 6  28 o 49.30017 13.41303 27.98688       24.80103 32.15587      38.51376 25.03334       32.41687 51.60912 19.78472 46.99122 18.11637 4.617905       26.82607 
1 1 1 -26 6  29 o 115.5955 9.027950 190.3886       27.96560 207.6648      42.15124 176.8047       37.37653 120.0892 13.03536 111.1018 12.49379 8.987320       18.05590 
1 1 1 -26 6  30 o 45.66859 13.61929 12.56901       29.23496 36.23148      43.55557 -6.832198      39.43920 52.16472 20.73273 39.17247 17.66617 12.99225       27.23857 
1 1 1 -26 6  31 o 94.72059 12.70225 155.9119       30.41948 113.3070      47.16301 186.2614       39.80595 78.34322 21.64094 111.0980 13.30634 -32.75475      25.40450 
1 1 1 -26 6  32 o 44.07281 13.63608 23.01627       31.74742 -2.332100     51.97523 38.10231       40.09673 40.78937 19.06684 47.35625 19.49941 -6.566883      27.27217 
1 1 1 -26 8  1  o 101.2495 13.21620 141.4708       33.83901 172.0312      55.98679 123.8808       42.47541 109.4216 19.72773 93.07737 17.59228 16.34424       26.43240 
1 1 1 -26 8  2  o 37.12408 12.45299 -52.09664      32.53667 -64.41864     53.07037 -44.67584      41.18480 38.95529 18.52646 35.29287 16.64567 3.662418       24.90599 
1 1 1 -26 8  3  o 69.98415 13.14076 73.29899       27.39948 32.40548      40.38909 108.1637       37.29323 53.65930 20.33444 86.30901 16.65020 -32.64970      26.28152 
1 1 1 -26 8  4  f 175.2868 6.090230 417.3370       28.71009 402.1335      41.10624 431.8170       40.11626 172.1259 8.869074 178.4476 8.348841 -6.321777      12.18046 
1 1 1 -26 8  5  o 186.3593 5.812729 470.9314       29.16482 478.5784      41.18987 463.2430       41.30093 187.8891 8.141521 184.8295 8.298608 3.059586       11.62546 
1 1 1 -26 8  6  o 269.9113 4.824290 980.8658       34.93990 940.7388      47.12359 1029.861       52.07095 263.8344 6.633207 275.9883 7.006829 -12.15387      9.648580 
1 1 1 -26 8  7  o 192.2554 5.081453 499.7694       26.18154 500.0070      35.35822 499.4809       38.95514 192.3456 6.826920 192.1652 7.528468 0.1803284      10.16291 
1 1 1 -26 8  8  o 256.1572 4.601086 886.5512       31.65089 885.8432      43.20316 887.3715       46.50078 256.0804 6.265502 256.2340 6.739691 -0.1536865     9.202171 
1 1 1 -26 8  9  o 210.9839 4.756588 601.3466       27.00942 594.7334      37.52905 608.4527       38.90214 209.7908 6.643512 212.1771 6.809130 -2.386261      9.513175 
1 1 1 -26 8  10 o 75.23919 11.26534 79.13903       21.90232 91.27027      34.04438 70.57223       28.60897 80.08848 16.34012 70.38990 15.51232 9.698578       22.53068 
1 1 1 -26 8  11 o 208.1763 4.761253 577.0493       26.23484 630.4440      41.80380 542.3564       33.69665 215.9533 7.189066 200.3994 6.244633 15.55396       9.522506 
1 1 1 -26 8  12 o 122.2578 6.820097 193.7615       21.83322 242.3531      36.46526 166.6075       27.25938 133.6332 10.13402 110.8824 9.129982 22.75077       13.64019 
1 1 1 -26 8  13 o 50.40409 12.56694 31.14327       21.89100 7.946000      37.88254 42.77299       26.82287 45.35295 18.83862 55.45524 16.63785 -10.10229      25.13388 
1 1 1 -26 8  14 o 170.8932 5.873075 390.8793       25.90656 410.7367      43.81202 380.2033       32.12446 174.0708 9.347253 167.7156 7.113430 6.355225       11.74615 
1 1 1 -26 8  15 o 134.0596 6.796649 241.2185       24.39483 279.1854      36.54295 210.6971       32.76450 143.4925 9.457820 124.6268 9.763574 18.86573       13.59330 
1 1 1 -26 8  16 o 42.34947 12.01270 9.871327       20.51608 2.082192      26.02647 22.65471       33.34214 36.52105 15.42121 48.17789 18.42298 -11.65685      24.02541 
1 1 1 -26 8  17 o 179.9759 5.191438 445.3430       24.34047 470.1228      31.24918 407.1166       38.81254 186.5620 6.220598 173.3898 8.313139 13.17210       10.38288 
1 1 1 -26 8  18 o 133.8784 7.398476 273.9665       23.52020 352.6436      30.27494 154.1879       37.35500 161.5092 6.961497 106.2476 13.05708 55.26157       14.79695 
1 1 1 -26 8  19 o 247.9173 4.778285 837.6306       31.61691 908.6284      43.23196 755.9952       46.35764 259.3813 6.189890 236.4534 7.281023 22.92790       9.556570 
1 1 1 -26 8  20 o 61.84231 20.34894 51.62967       39.24168 0.000000      0.000000 51.62967       39.24168 ?        ?        61.84231 20.34894 ?              ?        
1 1 1 -26 8  21 o 144.4264 9.086668 283.2863       35.33740 283.2863      35.33740 0.000000       0.000000 144.4264 9.086668 ?        ?        ?              ?        
1 1 1 -26 8  22 o 103.6819 11.40852 161.6926       28.86801 206.4818      38.36948 103.2667       43.82296 123.0114 11.58396 84.35244 19.65779 38.65897       22.81704 
1 1 1 -26 8  23 o 31.43940 10.91712 -78.11688      31.19544 -93.14686     41.81399 -59.25018      46.84795 28.25829 14.05358 34.62052 16.71020 -6.362232      21.83423 
1 1 1 -26 8  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  25 o 65.09441 15.15602 58.20691       34.97060 7.411393      51.61694 101.3049       47.54538 49.61614 21.35616 80.57269 21.51126 -30.95654      30.31204 
1 1 1 -26 8  26 o 73.37407 13.65597 79.26032       27.18557 96.76896      42.10897 66.74730       35.59834 79.95723 19.68907 66.79092 18.92837 13.16631       27.31195 
1 1 1 -26 8  27 o 58.54670 12.61490 37.97297       25.59430 97.07622      39.65331 -4.233406      33.50911 79.15814 18.87032 37.93526 16.74676 41.22288       25.22980 
1 1 1 -26 8  28 o 74.48412 12.58057 87.31731       26.69477 49.43403      38.93993 120.9067       36.66674 57.75574 20.25348 91.21249 14.92913 -33.45674      25.16113 
1 1 1 -26 8  29 o 137.8714 8.813992 285.8841       30.97191 222.6885      48.45707 329.5331       40.27178 122.6401 14.67376 153.1026 9.768656 -30.46256      17.62798 
1 1 1 -26 8  30 o 42.05248 13.10838 4.377473       29.72143 -29.02508     50.91292 21.64529       36.60639 39.24765 18.50986 44.85731 18.56619 -5.609665      26.21675 
1 1 1 -26 8  31 o 59.87347 15.37434 69.72475       30.99263 77.34184      53.69347 65.91890       37.95360 60.66010 23.33529 59.08686 20.02361 1.573238       30.74867 
1 1 1 -26 8  32 o 58.54183 15.54461 77.77959       34.02740 63.87208      57.46005 85.29105       42.22828 53.72764 22.81254 63.35603 21.12175 -9.628384      31.08923 
1 1 1 -26 10 1  o 388.5785 5.557539 2047.820       57.63414 2144.397      88.36777 1976.327       76.03044 396.2292 8.282549 380.9278 7.412445 15.30145       11.11508 
1 1 1 -26 10 2  o 236.0084 7.863181 761.1870       49.96997 0.000000      0.000000 761.1870       49.96997 ?        ?        236.0084 7.863181 ?              ?        
1 1 1 -26 10 3  o 238.4273 9.064350 769.1325       58.19371 0.000000      0.000000 769.1325       58.19371 ?        ?        238.4273 9.064350 ?              ?        
1 1 1 -26 10 4  o 35.06951 11.45883 -53.36535      29.33694 -136.0995     44.00068 12.84759       39.36303 25.69731 12.99669 44.44172 18.87605 -18.74440      22.91766 
1 1 1 -26 10 5  o 143.0314 7.248195 279.0005       27.85554 259.4002      39.53230 298.3283       39.25649 137.9720 10.64088 148.0909 9.844640 -10.11884      14.49639 
1 1 1 -26 10 6  f 67.32673 13.30177 64.81823       26.60727 92.59923      36.77881 34.31345       38.53963 80.18538 17.52357 54.46808 20.01681 25.71730       26.60354 
1 1 1 -26 10 7  o 128.6449 11.83732 226.0847       41.00428 0.000000      0.000000 226.0847       41.00428 ?        ?        128.6449 11.83732 ?              ?        
1 1 1 -26 10 8  f 368.1181 5.166178 1833.474       51.20760 1823.363      72.43417 1843.576       72.40279 367.0982 7.327872 369.1381 7.284219 -2.039917      10.33236 
1 1 1 -26 10 9  f 129.6901 7.496678 228.6495       26.16572 225.7572      37.46899 231.4024       36.55574 128.8669 10.79810 130.5134 10.40201 -1.646561      14.99336 
1 1 1 -26 10 10 o 544.9041 8.793995 4022.790       129.0297 0.000000      0.000000 4022.790       129.0297 ?        ?        544.9041 8.793995 ?              ?        
1 1 1 -26 10 11 o 170.5459 5.841200 397.9900       26.51486 357.4204      39.28056 431.9477       35.93740 162.3890 8.983335 178.7028 7.468477 -16.31374      11.68240 
1 1 1 -26 10 12 o 312.2509 4.698951 1319.684       39.39001 1287.606      57.57959 1347.901       54.00396 308.6281 6.928668 315.8738 6.349340 -7.245728      9.397902 
1 1 1 -26 10 13 o 234.4220 4.754257 745.1688       29.90902 693.4736      43.00776 793.5858       41.62176 226.4773 7.052428 242.3666 6.377702 -15.88931      9.508513 
1 1 1 -26 10 14 o 111.5422 7.596056 169.1423       22.75937 184.9883      32.55101 153.9865       31.83418 116.6912 10.35960 106.3932 11.11211 10.29794       15.19211 
1 1 1 -26 10 15 o 313.9043 4.597710 1329.325       38.78745 1301.545      53.00758 1361.344       56.90727 310.4060 6.341975 317.4027 6.658460 -6.996704      9.195419 
1 1 1 -26 10 16 o 122.1312 6.989333 197.6779       21.91764 187.4491      26.87340 217.9999       37.87838 117.6504 8.482928 126.6120 11.11049 -8.961563      13.97867 
1 1 1 -26 10 17 o 375.1222 5.076436 1902.495       51.18802 1897.918      70.32153 1907.652       74.65420 374.6892 6.970016 375.5552 7.382391 -0.8660278     10.15287 
1 1 1 -26 10 18 o 21.19128 10.71574 -155.1462      24.55104 -101.2004     29.82899 -268.4367      43.22710 21.19128 10.71574 ?        ?        ?              ?        
1 1 1 -26 10 19 o 117.1046 9.016800 184.9837       26.23214 180.5998      31.36529 195.1872       47.85085 115.1982 10.11160 119.0109 14.93205 -3.812660      18.03360 
1 1 1 -26 10 20 o 70.25880 17.38157 48.73859       31.27619 39.19236      33.94503 102.3860       80.47010 55.07120 18.93250 85.44640 29.15538 -30.37521      34.76314 
1 1 1 -26 10 21 o 94.51787 11.71164 128.6082       28.44149 139.1524      37.47751 114.2888       43.67460 100.4352 13.85803 88.60056 18.88398 11.83462       23.42327 
1 1 1 -26 10 22 o 25.78137 13.06632 -156.9315      45.95438 0.000000      0.000000 -156.9315      45.95438 ?        ?        25.78137 13.06632 ?              ?        
1 1 1 -26 10 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 10 24 o 40.78759 18.41656 -7.272219      43.00985 0.000000      0.000000 -7.272219      43.00985 ?        ?        40.78759 18.41656 ?              ?        
1 1 1 -26 10 25 o 48.38202 13.81152 19.27720       27.78569 28.16009      41.14410 11.82929       37.67453 51.67281 20.27261 45.09122 18.76309 6.581581       27.62304 
1 1 1 -26 10 26 o 50.16323 13.58378 30.31928       25.28312 29.11814      40.43187 31.09057       32.39917 51.00950 20.06952 49.31697 18.31094 1.692535       27.16756 
1 1 1 -26 10 27 o 71.18410 13.57355 83.01752       26.72612 62.00654      45.19595 94.31530       33.14156 63.34466 21.84193 79.02355 16.12125 -15.67889      27.14709 
1 1 1 -26 10 28 o 38.35769 12.40243 -24.68812      28.02033 12.75871      46.03782 -46.72217      35.31461 46.78542 20.15326 29.92995 14.46123 16.85546       24.80486 
1 1 1 -26 10 29 o 44.00061 13.52583 4.716109       28.84738 35.72824      48.78829 -11.95399      35.76999 52.13334 21.49286 35.86788 16.42710 16.26545       27.05167 
1 1 1 -26 10 30 o 46.32660 13.87464 7.554985       30.14819 70.30798      51.73130 -24.72012      37.09966 59.57798 22.90828 33.07522 15.65992 26.50276       27.74928 
1 1 1 -26 10 31 o 54.93916 15.49303 69.24200       38.33290 -29.97587     105.8250 84.22649       41.12579 46.37876 22.94127 63.49956 20.82870 -17.12080      30.98607 
1 1 1 -26 12 1  f 203.8550 5.859430 574.5596       31.97299 528.8344      46.49888 615.5673       44.03493 195.8373 8.817870 211.8727 7.718606 -16.03545      11.71886 
1 1 1 -26 12 2  o 106.1209 9.776130 159.7588       27.56820 161.6228      42.59761 158.4155       36.16262 106.2050 14.89556 106.0368 12.66543 0.1681595      19.55226 
1 1 1 -26 12 3  o 156.3203 7.203944 336.5276       30.20304 380.9854      44.54478 298.6965       41.09106 165.9113 9.970971 146.7292 10.40033 19.18205       14.40789 
1 1 1 -26 12 4  o 216.0807 9.932617 635.0889       57.79139 0.000000      0.000000 635.0889       57.79139 ?        ?        216.0807 9.932617 ?              ?        
1 1 1 -26 12 5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 12 6  o 58.18666 12.68098 -7.367331      32.78125 -108.6345     43.68366 123.1700       49.59662 28.05286 14.01640 88.32046 21.13692 -60.26760      25.36196 
1 1 1 -26 12 7  o 70.75133 14.99977 72.40394       31.51679 51.94363      43.64368 94.70149       45.56108 61.90545 21.45684 79.59720 20.96608 -17.69175      29.99955 
1 1 1 -26 12 8  o 149.8804 7.902240 307.8612       31.30146 236.4952      43.46304 384.7628       45.11718 131.5451 12.27049 168.2156 9.960754 -36.67050      15.80448 
1 1 1 -26 12 9  o 132.1999 8.305606 239.2694       29.42342 231.9140      43.39913 245.5261       40.02711 130.2116 12.37793 134.1883 11.07787 -3.976730      16.61121 
1 1 1 -26 12 10 o 206.4995 8.257720 578.2548       45.91583 0.000000      0.000000 578.2548       45.91583 ?        ?        206.4995 8.257720 ?              ?        
1 1 1 -26 12 11 o 133.7017 8.136246 243.8617       28.49074 325.1436      41.96400 174.3564       38.80513 154.5738 10.08225 112.8295 12.77271 41.74429       16.27249 
1 1 1 -26 12 12 o 175.1013 6.156450 419.1185       28.80905 461.7436      39.91059 372.7462       41.62797 184.5681 8.030601 165.6344 9.333646 18.93375       12.31290 
1 1 1 -26 12 13 o 319.0088 4.957228 1378.544       42.44636 1395.374      57.96716 1359.089       62.32601 321.1803 6.702699 316.8373 7.305495 4.343018       9.914456 
1 1 1 -26 12 14 o 163.6595 10.20698 364.5648       44.98024 0.000000      0.000000 364.5648       44.98024 ?        ?        163.6595 10.20698 ?              ?        
1 1 1 -26 12 15 o 204.4783 5.475629 563.1738       29.31638 552.5569      37.17492 580.6363       47.67681 202.0877 6.831668 206.8689 8.559110 -4.781189      10.95126 
1 1 1 -26 12 16 o 158.9069 6.493184 312.3774       26.49257 239.8432      32.19115 464.6095       46.63566 132.9034 8.995330 184.9103 9.366419 -52.00696      12.98637 
1 1 1 -26 12 17 o 73.49086 11.42732 48.77614       25.85657 -2.970126     31.13302 163.8253       46.42196 38.06954 16.48532 108.9122 15.82937 -70.84264      22.85464 
1 1 1 -26 12 18 o 170.5146 7.358104 422.6991       31.51622 528.9918      41.72140 281.4399       48.09674 197.5926 7.841602 143.4366 12.45295 54.15605       14.71621 
1 1 1 -26 12 19 o 35.91212 11.82863 -30.88936      28.08855 -18.22281     37.27637 -47.52962      42.72523 37.04258 16.89037 34.78166 16.56446 2.260918       23.65726 
1 1 1 -26 12 20 o ?        ?        -348.3976      35.68784 -371.5951     49.92531 -324.1590      51.03339 ?        ?        ?        ?        ?              ?        
1 1 1 -26 12 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 12 22 o 45.96220 19.26369 10.12642       40.12518 0.000000      0.000000 10.12642       40.12518 ?        ?        45.96220 19.26369 ?              ?        
1 1 1 -26 12 23 o 111.2741 9.352184 172.2814       27.63093 178.1390      43.06782 168.1837       36.02156 112.5556 14.21027 109.9926 12.16230 2.563011       18.70437 
1 1 1 -26 12 24 o 194.1334 5.933971 503.3194       30.29890 591.0485      49.70350 451.4408       38.22170 206.9151 8.920956 181.3518 7.827171 25.56332       11.86794 
1 1 1 -26 12 25 o 45.11226 13.51003 10.59427       26.70175 10.39688      47.93026 10.68310       32.15342 48.46183 20.71194 41.76270 17.35222 6.699135       27.02007 
1 1 1 -26 12 26 o 47.68550 13.59819 23.96799       26.44512 14.81077      44.72152 28.89164       32.79281 47.43437 20.13218 47.93664 18.28493 -0.5022736     27.19639 
1 1 1 -26 12 27 o 63.38245 14.31495 65.61937       27.00009 65.51270      45.23421 65.67841       33.65256 62.97956 21.84346 63.78534 18.50768 -0.8057823     28.62990 
1 1 1 -26 12 28 o 47.79949 15.53971 9.083037       32.54907 3.526581      94.50461 9.830875       34.67033 54.89593 25.67656 40.70304 17.51128 14.19289       31.07943 
1 1 1 -26 12 29 o 44.58318 15.22053 -10.92161      33.14910 41.26208      98.42313 -17.59849      35.20599 55.73132 26.11056 33.43505 15.64917 22.29627       30.44105 
1 1 1 -26 12 30 o 36.91389 12.94684 -36.47682      36.14761 -88.61475     95.94976 -27.85295      39.02277 41.44909 20.71922 32.37869 15.53052 9.070400       25.89368 
1 1 1 -26 14 1  f 211.4306 5.423255 620.3307       30.63246 536.1121      43.51465 703.0653       43.12960 196.7447 8.213893 226.1164 7.083696 -29.37169      10.84651 
1 1 1 -26 14 2  o 60.35667 13.55330 55.36119       24.54214 51.48131      39.29399 57.84278       31.42549 59.10679 20.36677 61.60654 17.88748 -2.499752      27.10659 
1 1 1 -26 14 3  o 45.00946 12.73329 17.19758       24.54543 -8.012665     39.48274 33.07847       31.33690 40.14434 17.92298 49.87458 18.09182 -9.730244      25.46659 
1 1 1 -26 14 4  o 141.4242 7.866497 280.4357       29.74883 266.5671      44.02982 292.0845       40.35267 137.8482 11.86213 145.0002 10.33523 -7.152023      15.73299 
1 1 1 -26 14 5  o 135.1124 8.467607 252.9632       30.52097 257.1709      46.56511 249.7941       40.41223 135.8283 12.73171 134.3964 11.16714 1.431946       16.93521 
1 1 1 -26 14 6  o 44.93485 19.68853 5.240144       45.52754 0.000000      0.000000 5.240144       45.52754 ?        ?        44.93485 19.68853 ?              ?        
1 1 1 -26 14 7  o 295.1932 9.781025 1181.620       77.74530 0.000000      0.000000 1181.620       77.74530 ?        ?        295.1932 9.781025 ?              ?        
1 1 1 -26 14 8  o 289.5887 9.377297 1134.976       73.12109 0.000000      0.000000 1134.976       73.12109 ?        ?        289.5887 9.377297 ?              ?        
1 1 1 -26 14 9  o ?        ?        -218.9128      53.52387 0.000000      0.000000 -218.9128      53.52387 ?        ?        ?        ?        ?              ?        
1 1 1 -26 14 10 o 114.0500 11.29137 197.4258       31.39400 230.2510      40.41747 147.4989       49.84623 128.8441 11.64988 99.25595 19.34581 29.58810       22.58273 
1 1 1 -26 14 11 o 50.63251 13.96815 27.77722       26.10045 15.66422      31.58142 53.87783       46.35869 42.21418 17.33478 59.05083 21.90759 -16.83666      27.93630 
1 1 1 -26 14 12 o 153.9975 7.190224 326.3569       29.01221 300.4319      36.45553 371.1369       47.91230 146.4841 9.242505 161.5110 11.01696 -15.02690      14.38045 
1 1 1 -26 14 13 o 145.0098 7.540811 286.3853       28.23636 261.2881      34.68784 335.6761       48.61242 136.6873 9.424659 153.3322 11.77417 -16.64493      15.08162 
1 1 1 -26 14 14 o 49.32769 13.19660 -4.156598      27.15554 -45.99637     32.91509 85.02106       48.05387 28.54402 13.83246 70.11137 22.47807 -41.56735      26.39319 
1 1 1 -26 14 15 o 49.79578 11.99150 14.66065       28.34750 75.79986      35.18740 -98.39367      47.84878 68.94935 18.54758 30.64220 15.20432 38.30714       23.98300 
1 1 1 -26 14 16 o ?        ?        -269.7771      30.87418 -240.4821     39.98700 -313.0208      48.58294 ?        ?        ?        ?        ?              ?        
1 1 1 -26 14 17 o 35.15844 17.20624 -103.0458      54.54412 0.000000      0.000000 -103.0458      54.54412 ?        ?        35.15844 17.20624 ?              ?        
1 1 1 -26 14 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 14 19 o 27.07831 13.66141 -150.0508      46.87946 -150.0508     46.87946 0.000000       0.000000 27.07831 13.66141 ?        ?        ?              ?        
1 1 1 -26 14 20 o 97.31609 17.54068 149.5795       44.27285 149.5795      44.27285 0.000000       0.000000 97.31609 17.54068 ?        ?        ?              ?        
1 1 1 -26 14 21 o 68.46419 13.01696 59.26987       24.94986 113.0193      42.93908 31.87312       30.65597 86.95608 18.87994 49.97229 17.92521 36.98378       26.03393 
1 1 1 -26 14 22 o 73.81959 13.43454 80.64307       25.34063 97.05470      45.73655 73.37342       30.43996 78.03250 21.21110 69.60667 16.49355 8.425827       26.86909 
1 1 1 -26 14 23 o 32.91975 11.20651 -44.41719      24.17672 -23.68055     47.19497 -51.79512      28.15100 40.75699 18.74077 25.08251 12.29338 15.67448       22.41303 
1 1 1 -26 14 24 o 30.16717 10.53319 -79.10486      25.73792 -28.17990     45.37246 -103.2664      31.25281 38.79296 18.02627 21.54138 10.90166 17.25158       21.06639 
1 1 1 -26 14 25 o 66.80163 18.01307 26.96745       32.99566 178.5260      93.56252 5.441185       35.26112 92.86920 31.43904 40.73405 17.59174 52.13515       36.02613 
1 1 1 -26 14 26 o 75.10474 18.39683 82.43639       34.32084 163.3364      93.18227 69.73903       36.91607 85.55327 31.17257 64.65622 19.54596 20.89705       36.79366 
1 1 1 -26 14 27 o 51.78179 16.80407 9.353945       31.82719 95.50117      101.6671 -0.5966902E-02 33.51163 66.37466 29.24253 37.18892 16.56447 29.18573       33.60814 
1 1 1 -26 14 28 f 61.97979 14.43139 88.89095       35.62309 -80.48000     105.6305 110.6259       37.83982 45.08997 22.41005 78.86961 18.18927 -33.77964      28.86278 
1 1 1 -26 14 29 o 45.55244 14.15325 30.92222       31.24299 -68.70007     101.6015 41.32626       32.83392 43.35003 21.61495 47.75486 18.27707 -4.404827      28.30649 
1 1 1 -26 16 1  o 142.9743 6.321873 289.2142       23.93330 283.1167      37.09851 293.5611       31.32327 141.0486 9.767973 144.9001 8.028140 -3.851563      12.64375 
1 1 1 -26 16 2  o 90.98651 8.649207 119.6868       21.07925 119.1441      31.35731 120.1343       28.47221 90.46321 12.87311 91.50980 11.55501 -1.046593      17.29841 
1 1 1 -26 16 3  o 85.07669 10.55870 112.0833       22.39540 92.80914      36.06071 124.1849       28.57383 76.68215 17.80607 93.47123 11.35291 -16.78908      21.11740 
1 1 1 -26 16 4  o 126.3919 8.079753 235.9907       26.00176 177.2562      40.33483 277.7551       34.01237 111.1653 13.47497 141.6186 8.919352 -30.45332      16.15951 
1 1 1 -26 16 5  o 52.24198 12.97022 36.83104       23.31660 21.73151      33.88116 50.41618       32.13723 46.35823 18.32970 58.12574 18.35563 -11.76751      25.94045 
1 1 1 -26 16 6  o 189.6437 8.373481 495.1061       42.75903 0.000000      0.000000 495.1061       42.75903 ?        ?        189.6437 8.373481 ?              ?        
1 1 1 -26 16 7  o 79.60197 15.78043 118.0093       39.20381 -3.449388     94.05219 143.5500       43.12925 59.91409 27.12659 99.28986 16.13183 -39.37576      31.56086 
1 1 1 -26 16 8  o 132.2581 7.443797 223.4374       24.84628 193.1804      29.57739 295.9805       45.79791 118.5826 9.263082 145.9336 11.65486 -27.35094      14.88759 
1 1 1 -26 16 9  o 85.56534 11.12682 85.19337       23.04613 56.88962      26.68041 168.3759       45.73899 62.15265 15.88296 108.9780 15.58706 -46.82539      22.25365 
1 1 1 -26 16 10 o 222.4041 5.551149 670.9672       31.53955 654.2134      38.68621 704.1738       54.46431 218.9525 6.561798 225.8557 8.955659 -6.903198      11.10230 
1 1 1 -26 16 11 o 136.0189 8.625604 257.8167       28.80914 244.0446      34.01146 292.7918       54.20082 131.6290 9.596004 140.4089 14.33600 -8.779892      17.25121 
1 1 1 -26 16 12 o 297.5439 5.904322 1249.010       45.93536 1323.337      59.49231 1139.281       72.28522 309.9258 7.128852 285.1620 9.414007 24.76389       11.80864 
1 1 1 -26 16 13 o 112.2705 12.73018 246.6372       31.22193 332.1338      38.55946 83.86571       53.20419 154.2813 9.281847 70.25967 23.70817 84.02160       25.46036 
1 1 1 -26 16 14 o 47.08796 19.06623 24.37074       37.55789 24.37074      37.55789 0.000000       0.000000 47.08796 19.06623 ?        ?        ?              ?        
1 1 1 -26 16 15 o 40.05371 17.63704 -69.90385      28.09680 1.042041      36.93486 -167.3488      43.28651 40.05371 17.63704 ?        ?        ?              ?        
1 1 1 -26 16 16 o 39.38384 12.17853 -9.435239      26.30298 16.61397      34.72804 -44.48471      40.28317 45.00308 18.29376 33.76461 16.08121 11.23848       24.35707 
1 1 1 -26 16 17 o 52.55394 13.42606 34.20970       24.79119 46.43969      35.28574 22.28769       34.83862 57.50207 19.30791 47.60580 18.66121 9.896263       26.85212 
1 1 1 -26 16 18 o 45.35719 12.78789 18.79598       23.34612 19.04306      35.52224 18.60811       30.97558 46.39514 18.62751 44.31925 17.52530 2.075893       25.57577 
1 1 1 -26 16 19 o 115.1592 8.117656 171.5123       24.15647 250.1686      41.64906 131.6389       29.65380 133.4425 11.59118 96.87585 11.36793 36.56667       16.23531 
1 1 1 -26 16 20 o 98.43237 9.626120 133.3073       24.71087 157.5992      41.54937 120.0125       30.73789 104.6577 14.74382 92.20707 12.38017 12.45061       19.25224 
1 1 1 -26 16 21 o 81.55610 18.63120 81.31213       29.14519 157.8407      107.7756 75.27407       30.27313 92.32711 33.54246 70.78509 16.22932 21.54202       37.26241 
1 1 1 -26 16 22 f 82.87374 16.37089 112.2122       29.41421 105.7329      89.92786 112.9884       31.12633 77.01228 30.03861 88.73520 13.02713 -11.72292      32.74178 
1 1 1 -26 16 23 o 57.39111 16.29718 43.72303       31.05049 26.37361      86.91713 46.26112       33.24421 59.86068 26.66872 54.92155 18.73957 4.939129       32.59436 
1 1 1 -26 16 24 o 95.43751 15.12204 194.4096       34.71768 80.83893      82.98901 218.5018       38.22311 67.60574 27.96596 123.2693 11.51563 -55.66353      30.24409 
1 1 1 -26 16 25 o 56.40896 13.46412 59.86316       27.74545 -95.52983     89.64450 76.32582       29.17817 43.97767 21.63080 68.84025 16.03865 -24.86258      26.92823 
1 1 1 -26 16 26 o 38.80384 12.84653 -6.578388      29.82978 -169.4712     93.93088 11.69226       31.45824 38.76629 19.53009 38.84138 16.69458 -0.7509232E-01 25.69307 
1 1 1 -26 16 27 o 60.12064 17.52169 57.77250       32.46025 184.2767      91.78096 39.68674       34.70311 72.88187 29.69594 47.35942 18.60617 25.52244       35.04338 
1 1 1 -26 18 1  o 40.12056 11.46957 20.26840       19.16035 34.37273      29.78911 10.31598       25.02337 45.22586 17.38521 35.01526 14.96524 10.21060       22.93913 
1 1 1 -26 18 2  o 57.03227 12.07690 57.08616       20.40238 45.45810      31.87369 65.15763       26.55554 51.48679 18.29794 62.57776 15.76678 -11.09097      24.15379 
1 1 1 -26 18 3  o 83.95453 10.46201 112.4217       21.13415 100.4906      36.95215 118.2217       25.76391 77.43580 18.05463 90.47327 10.57567 -13.03747      20.92402 
1 1 1 -26 18 4  o 132.8847 7.011083 260.6355       23.10894 221.1469      39.51528 281.1603       28.48841 123.4206 11.89034 142.3488 7.432432 -18.92827      14.02217 
1 1 1 -26 18 5  o 71.13953 15.65743 86.28175       27.01671 67.39427      84.65977 88.42332       28.50725 65.87930 27.81524 76.39977 14.38515 -10.52046      31.31486 
1 1 1 -26 18 6  o 38.14404 10.75267 8.142675       18.85104 29.46401      24.34330 -23.79529      29.79380 45.66151 16.01363 30.62656 14.35421 15.03494       21.50534 
1 1 1 -26 18 7  o 155.1224 5.770573 331.5593       22.11905 329.6467      26.46680 335.9890       40.27923 155.2041 6.333079 155.0407 9.648325 0.1633301      11.54115 
1 1 1 -26 18 8  o 181.9947 5.280466 461.4992       24.43144 476.9282      30.27290 432.6792       41.37440 187.0360 6.010982 176.9533 8.683395 10.08267       10.56093 
1 1 1 -26 18 9  o 203.9558 5.045261 565.4811       26.42900 557.9688      32.69622 579.6418       44.89049 202.4701 5.997265 205.4415 8.114891 -2.971436      10.09052 
1 1 1 -26 18 10 o 165.5279 5.920565 378.7010       24.92790 383.2986      30.72376 369.8439       42.64442 167.5789 6.808819 163.4769 9.687742 4.102020       11.84113 
1 1 1 -26 18 11 o 39.18456 15.93304 11.63391       26.35280 11.63391      26.35280 0.000000       0.000000 39.18456 15.93304 ?        ?        ?              ?        
1 1 1 -26 18 12 o 153.5155 6.672389 327.4236       26.14773 330.5662      32.33775 321.4885       44.43997 155.2606 7.735088 151.7704 10.87435 3.490189       13.34478 
1 1 1 -26 18 13 o 123.1389 9.907943 210.3869       32.85202 210.3869      32.85202 0.000000       0.000000 123.1389 9.907943 ?        ?        ?              ?        
1 1 1 -26 18 14 o 127.0308 7.812413 227.3742       25.66703 310.3720      37.38232 153.3483       35.30408 149.8573 9.264140 104.2044 12.58216 45.65282       15.62483 
1 1 1 -26 18 15 o 174.1873 8.752105 417.9376       41.04993 417.9376      41.04993 0.000000       0.000000 174.1873 8.752105 ?        ?        ?              ?        
1 1 1 -26 18 16 o 79.84430 11.54145 96.74486       24.08667 77.35406      36.38233 111.8758       32.13846 70.88328 18.76657 88.80531 13.44011 -17.92204      23.08290 
1 1 1 -26 18 17 o 56.46862 14.98173 44.56434       31.40550 -98.92635     93.97440 62.60485       33.32131 49.02644 23.66433 63.91081 18.37956 -14.88437      29.96346 
1 1 1 -26 18 18 f 55.67322 16.61017 26.56595       28.99728 47.94730      88.96609 24.02452       30.67224 65.79702 28.17195 45.54942 17.60489 20.24760       33.22033 
1 1 1 -26 18 19 o 44.80316 14.58056 -1.557102      30.22524 -39.87770     83.63123 4.200272       32.41638 50.45490 23.77336 39.15142 16.88779 11.30348       29.16111 
1 1 1 -26 18 20 o 41.07190 13.23536 -10.34719      31.39125 -163.9969     83.70167 14.80131       33.86292 39.25631 19.58092 42.88750 17.81255 -3.631191      26.47073 
1 1 1 -26 18 21 o 59.19269 14.71438 60.42384       31.92989 -37.13449     80.02577 78.89547       34.82172 48.68380 23.03522 69.70157 18.31475 -21.01777      29.42875 
1 1 1 -26 18 22 o 43.35743 14.44583 -19.96292      30.38412 27.65631      76.02502 -29.01488      33.14642 55.56536 24.83467 31.14950 14.76373 24.41587       28.89167 
1 1 1 -26 18 23 o 50.75621 15.15832 34.65314       30.30098 11.08605      80.24407 38.57240       32.72369 51.99321 24.09501 49.51922 18.39917 2.473988       30.31665 
1 1 1 -26 18 24 o 51.67980 15.55290 40.18334       31.69835 52.56302      77.73024 37.71393       34.71617 55.21567 24.86060 48.14394 18.69549 7.071735       31.10580 
1 1 1 -26 18 25 o 41.88254 14.14822 -1.552538      36.20810 -5.302631     86.96774 -0.7661994     39.82373 46.32050 22.45601 37.44457 17.21674 8.875927       28.29644 
1 1 1 -26 20 3  o 93.09659 14.97240 188.2957       23.07816 170.5753      87.11836 189.6331       23.93319 71.01614 28.93333 115.1770 7.717051 -44.16088      29.94479 
1 1 1 -26 20 4  o 63.62831 9.624308 65.84639       16.01841 76.20120      23.09202 56.24249       22.23896 69.16764 12.87240 58.08899 14.31120 11.07866       19.24862 
1 1 1 -26 20 5  o 89.69084 6.852192 118.7355       16.04663 128.2074      20.94635 105.2797       24.96590 95.01726 8.186955 84.36442 10.99017 10.65284       13.70438 
1 1 1 -26 20 6  o 60.47239 9.784489 55.18650       15.03252 48.90605      18.56942 67.12821       25.60569 56.30610 12.56647 64.63868 15.00096 -8.332577      19.56898 
1 1 1 -26 20 7  o 93.13826 8.624108 135.2978       18.36264 145.3270      21.96995 112.0544       33.44605 101.8524 8.010775 84.42416 15.27509 17.42822       17.24822 
1 1 1 -26 20 8  o 137.2243 5.562553 264.2726       20.05184 271.2260      25.90718 253.8833       31.66745 140.0497 6.869967 134.3990 8.750517 5.650665       11.12511 
1 1 1 -26 20 9  o 38.78478 10.97981 11.30431       19.05815 29.58297      25.10953 -13.53540      29.27114 45.34738 16.22741 32.22218 14.79514 13.12521       21.95962 
1 1 1 -26 20 10 o 63.83582 11.98741 61.95409       21.50977 40.36647      28.20547 91.95892       33.25266 51.28288 17.26224 76.38876 16.63751 -25.10589      23.97481 
1 1 1 -26 20 11 o 38.95420 12.11995 -5.373858      23.48693 -18.52052     28.75206 20.99337       40.71866 30.94833 14.37063 46.96007 19.52070 -16.01174      24.23990 
1 1 1 -26 20 12 o 64.02061 17.20440 66.41737       38.93130 67.11295      72.47360 66.13524       46.15621 64.90603 26.41064 63.13521 22.05546 1.770821       34.40880 
1 1 1 -26 20 13 o 46.50710 15.25537 -9.761633      38.60960 -23.06219     83.87650 -6.185671      43.49124 51.71722 24.18976 41.29697 18.59464 10.42025       30.51074 
1 1 1 -26 20 14 o 58.11626 17.17772 37.33028       36.63230 69.49341      85.28571 30.05407       40.56485 66.46056 27.98152 49.77196 19.93315 16.68859       34.35543 
1 1 1 -26 20 15 o 60.50615 17.20216 43.98374       32.93836 91.00944      84.57116 35.57482       35.76225 70.54278 28.59397 50.46951 19.13222 20.07327       34.40431 
1 1 1 -26 20 16 o 77.20352 16.88240 67.03487       29.29860 198.2940      80.08983 46.75510       31.48069 99.93568 28.41580 54.47136 18.23745 45.46432       33.76481 
1 1 1 -26 20 17 o 55.03489 14.44641 49.14003       30.06293 -21.54356     71.11494 64.52020       33.17281 47.52340 22.24263 62.54639 18.44072 -15.02299      28.89281 
1 1 1 -26 20 18 o 40.41713 13.11676 -14.03757      33.40359 -128.2044     74.44502 14.74233       37.37750 37.65082 18.72914 43.18344 18.36890 -5.532616      26.23351 
1 1 1 -26 20 19 o 59.49446 16.49407 53.10416       31.30135 89.91783      75.87000 45.55276       34.36205 66.17193 26.98499 52.81700 18.97441 13.35493       32.98815 
1 1 1 -26 20 20 o 40.36501 13.68146 -18.84218      32.26700 -18.12342     77.26113 -18.99403      35.51230 47.11017 22.38983 33.61984 15.72975 13.49033       27.36292 
1 1 1 -26 20 21 o 66.80685 20.02350 123.7604       62.63633 104.8992      87.23399 143.8334       89.99270 63.37287 27.51864 70.24084 29.09444 -6.867977      40.04700 
1 1 1 -26 20 22 o 39.22194 13.07308 1.322161       28.91335 -59.70229     84.20272 9.479239       30.78516 41.57087 20.54460 36.87301 16.17224 4.697861       26.14616 
1 1 1 -26 20 23 o 40.32122 13.60773 2.721396       28.89860 -23.36956     92.37693 5.551777       30.42573 45.16834 22.16423 35.47411 15.79330 9.694229       27.21547 
1 1 1 -26 22 7  o 33.17340 11.71884 -4.525410      13.55583 -17.90131     76.12038 -4.087313      13.77603 43.30771 20.99852 23.03910 10.41093 20.26861       23.43769 
1 1 1 -26 22 8  o 56.06710 15.90307 41.58345       29.22029 144.3705      69.75629 19.70914       32.17965 71.91977 26.83536 40.21444 17.07321 31.70533       31.80615 
1 1 1 -26 22 9  f 65.27693 14.09081 94.15319       28.31030 56.45920      68.40279 101.9445       31.09883 52.85855 23.59575 77.69530 15.40922 -24.83675      28.18162 
1 1 1 -26 22 10 o 39.94083 13.52886 -10.79743      31.03976 7.855453      74.84451 -14.67206      34.11160 47.01421 22.25461 32.86746 15.39003 14.14674       27.05773 
1 1 1 -26 22 11 o 50.84464 15.92159 21.89274       35.21085 103.4340      77.10516 0.4078124      39.57871 63.31865 26.62939 38.37062 17.46035 24.94803       31.84319 
1 1 1 -26 22 12 o 50.60229 14.50849 44.41061       29.95442 -4.540029     77.13116 53.10464       32.50584 46.94800 22.32973 54.25658 18.53020 -7.308575      29.01698 
1 1 1 -26 22 13 o 41.84749 13.46771 8.061820       31.03282 -61.12067     76.76469 21.57666       33.92883 41.37127 20.28154 42.32371 17.72501 -0.9524460     26.93542 
1 1 1 -26 22 14 o 90.09474 16.02325 139.9973       29.34616 205.8714      82.03648 130.3308       31.42564 87.98935 29.44061 92.20014 12.65812 -4.210793      32.04649 
1 1 1 -26 22 15 o 50.73332 15.60221 32.43463       28.84530 83.81974      80.17895 24.79517       30.91525 59.10194 26.00613 42.36471 17.24520 16.73723       31.20442 
1 1 1 -26 22 16 o 48.89236 14.09958 42.30030       27.99146 -16.62991     81.93964 50.08591       29.78317 45.30026 21.92149 52.48445 17.73811 -7.184189      28.19915 
1 1 1 -26 22 17 o 98.02434 15.28794 212.0430       28.91197 176.3603      84.53481 216.7699       30.76739 74.41702 29.09695 121.6317 9.394217 -47.21465      30.57587 
1 1 1 -26 22 18 o 39.94300 13.64064 -12.00000      34.23439 -1.292763     80.97209 -14.33055      37.77686 45.79876 22.07080 34.08724 16.03586 11.71151       27.28129 
1 1 1 -26 22 19 o 40.68569 12.74092 14.37466       28.70042 -117.2070     81.36590 33.07250       30.67189 36.90266 18.53621 44.46872 17.48523 -7.566055      25.48185 
1 1 1 -25 1  1  o 49.98924 18.59806 27.25384       33.45649 0.000000      0.000000 27.25384       33.45649 ?        ?        49.98924 18.59806 ?              ?        
1 1 1 -25 1  2  o 264.2726 4.530001 942.6187       32.18946 960.3411      46.97043 926.9243       44.20123 266.5926 6.543242 261.9525 6.266547 4.640106       9.060002 
1 1 1 -25 1  3  o 127.8755 6.641925 221.2201       22.84243 235.8899      33.17812 208.0004       31.49567 131.9016 9.341535 123.8494 9.444385 8.052254       13.28385 
1 1 1 -25 1  4  o 251.8375 4.540320 854.5061       30.73339 886.0999      45.11433 827.1476       41.98172 256.1578 6.540690 247.5171 6.298999 8.640640       9.080640 
1 1 1 -25 1  5  o 155.2224 5.286058 326.5216       21.97298 286.2726      30.97902 367.2706       31.17084 145.5345 7.905301 164.9104 7.019677 -19.37592      10.57212 
1 1 1 -25 1  6  o 47.70745 11.98956 26.84326       19.43084 31.05762      27.18181 22.43919       27.78690 49.61893 16.94490 45.79597 16.96669 3.822960       23.97912 
1 1 1 -25 1  7  o 254.1498 4.296414 870.8622       29.39522 870.1463      41.11853 871.6105       42.03899 254.0469 6.010911 254.2528 6.140493 -0.2058563     8.592829 
1 1 1 -25 1  8  o 317.9078 4.407538 1362.539       37.72797 1379.780      53.53939 1345.533       53.17332 319.9066 6.215366 315.9090 6.250983 3.997620       8.815076 
1 1 1 -25 1  9  o 428.4680 5.071008 2476.097       58.50338 2452.561      82.34035 2500.092       83.13795 426.4120 7.171334 430.5240 7.171641 -4.112091      10.14202 
1 1 1 -25 1  10 o 322.4951 4.312891 1401.454       37.44244 1430.037      53.69791 1374.407       52.23560 325.6923 6.123031 319.2978 6.075573 6.394501       8.625781 
1 1 1 -25 1  11 o 258.6398 4.087870 901.6058       28.46765 888.5305      40.07104 914.9297       40.45032 256.7459 5.796204 260.5337 5.765999 -3.787781      8.175740 
1 1 1 -25 1  12 o 72.35225 9.489322 72.49201       17.94365 89.20714      25.82574 56.89222       24.94925 81.20222 11.81140 63.50228 14.85529 17.69995       18.97864 
1 1 1 -25 1  13 o 116.0132 6.385365 182.9290       19.77895 156.9318      28.13972 208.3142       27.80657 107.7871 9.695487 124.2394 8.311986 -16.45226      12.77073 
1 1 1 -25 1  14 o 803.9236 8.681001 8747.233       187.9134 8775.056      266.8277 8719.856       264.6846 805.1815 12.30705 802.6658 12.24646 2.515625       17.36200 
1 1 1 -25 1  15 o 90.68384 9.068203 111.4892       22.10681 104.2387      31.27567 118.7287       31.25184 87.71659 13.24163 93.65108 12.39308 -5.934494      18.13641 
1 1 1 -25 1  16 o 349.3799 4.682746 1645.715       44.04868 1612.941      61.83989 1679.471       62.75875 345.8481 6.640487 352.9117 6.604270 -7.063629      9.365492 
1 1 1 -25 1  17 o 540.6067 6.137869 3943.399       89.30486 4010.672      128.6879 3880.905       124.0329 545.0367 8.768569 536.1766 8.591038 8.860046       12.27574 
1 1 1 -25 1  18 o 259.0280 6.694838 904.9920       46.69498 0.000000      0.000000 904.9920       46.69498 ?        ?        259.0280 6.694838 ?              ?        
1 1 1 -25 1  19 o 91.04235 11.01077 117.0433       25.39457 70.30740      34.86459 169.8585       37.06282 70.26931 18.25966 111.8154 12.30987 -41.54608      22.02154 
1 1 1 -25 1  20 o 303.9415 6.447444 1247.011       52.76683 1247.011      52.76683 0.000000       0.000000 303.9415 6.447444 ?        ?        ?              ?        
1 1 1 -25 1  21 o 66.43024 12.86248 60.90311       23.43539 51.27766      30.30840 75.21478       36.95707 60.39942 17.57522 72.46104 18.78524 -12.06162      25.72496 
1 1 1 -25 1  22 f 114.3015 7.121862 177.6346       21.84099 180.8070      29.81385 173.9601       32.08691 115.4488 9.590590 113.1541 10.53111 2.294662       14.24372 
1 1 1 -25 1  23 o 48.77811 10.63024 21.51490       19.71733 62.91348      27.51622 -22.17671      28.26800 66.39119 15.64795 31.16504 14.39268 35.22615       21.26047 
1 1 1 -25 1  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  25 o 101.2599 10.14893 141.1737       27.58807 154.4779      39.18499 128.0974       38.84805 106.0882 13.71732 96.43149 14.96122 9.656731       20.29785 
1 1 1 -25 1  26 o 27.28550 9.697092 -118.6488      31.57559 -138.8954     44.70035 -98.48476      44.60904 25.74313 13.02916 28.82786 14.36577 -3.084730      19.39418 
1 1 1 -25 1  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  28 o 110.6218 11.52898 179.1103       32.86173 146.6616      47.40868 209.1192       45.59157 99.29847 18.40882 121.9452 13.88470 -22.64670      23.05796 
1 1 1 -25 1  29 o 126.8952 8.214277 226.8503       27.92571 219.0641      41.14454 233.5007       38.02546 124.5658 12.26676 129.2246 10.92813 -4.658737      16.42855 
1 1 1 -25 1  30 o 96.47913 15.21679 135.9840       39.53119 0.000000      0.000000 135.9840       39.53119 ?        ?        96.47913 15.21679 ?              ?        
1 1 1 -25 1  31 o 36.88158 12.03650 -29.32999      29.39241 -66.66622     42.37011 5.304242       40.80816 31.01014 15.17374 42.75303 18.68868 -11.74290      24.07300 
1 1 1 -25 1  32 o 60.98798 15.10037 67.41183       30.58559 67.40229      44.64473 67.42027       41.98664 60.85414 21.65258 61.12183 21.05350 -0.2676964     30.20073 
1 1 1 -25 1  33 o 122.1172 10.29858 242.4613       33.65781 275.7211      48.67031 211.9761       46.59606 131.2549 13.77100 112.9795 15.31673 18.27531       20.59715 
1 1 1 -25 3  1  o 266.6488 4.845847 961.9645       34.78159 937.5459      49.32860 986.1080       49.04979 263.2635 6.958645 270.0340 6.745828 -6.770477      9.691694 
1 1 1 -25 3  2  o 168.0204 5.664833 382.0843       25.62631 374.6013      36.13889 389.6524       36.34414 166.3595 8.067592 169.6812 7.954578 -3.321747      11.32967 
1 1 1 -25 3  3  f 138.2344 6.411598 259.5239       23.81790 273.4186      33.32372 245.0123       34.05540 142.0604 8.711582 134.4084 9.409712 7.652023       12.82320 
1 1 1 -25 3  4  o 280.0002 4.475920 1058.744       33.74562 1063.866      47.67764 1053.603       47.76952 280.6817 6.308372 279.3188 6.351370 1.362946       8.951840 
1 1 1 -25 3  5  o 338.1025 4.566350 1542.538       41.56377 1579.608      59.45886 1507.115       58.12397 342.0736 6.455259 334.1314 6.460329 7.942230       9.132701 
1 1 1 -25 3  6  o 279.9066 4.331679 1057.423       32.64226 1078.554      46.12862 1036.229       46.19771 282.7150 6.059520 277.0982 6.191606 5.616760       8.663358 
1 1 1 -25 3  7  o 356.4233 4.634080 1713.767       44.47392 1723.750      62.85193 1703.757       62.93939 357.4654 6.529820 355.3813 6.577253 2.084076       9.268161 
1 1 1 -25 3  8  o 201.4055 4.615033 547.3829       25.00403 557.5814      34.80681 536.5080       35.94261 203.3535 6.356662 199.4575 6.692307 3.895996       9.230066 
1 1 1 -25 3  9  o 460.2695 5.383160 2857.895       66.70412 2873.380      95.36354 2843.061       93.33686 461.4822 7.674392 459.0567 7.550982 2.425507       10.76632 
1 1 1 -25 3  10 o 519.0311 5.872984 3635.445       82.06120 3660.998      117.4745 3611.093       114.6801 520.8010 8.376998 517.2613 8.233692 3.539673       11.74597 
1 1 1 -25 3  11 o 512.9909 5.799010 3551.060       80.08926 3577.879      114.4841 3525.356       112.0807 514.8790 8.257656 511.1029 8.144027 3.776093       11.59802 
1 1 1 -25 3  12 o 305.0674 4.294765 1252.268       35.20642 1289.640      51.76640 1220.106       48.02287 309.2847 6.215930 300.8501 5.928088 8.434601       8.589529 
1 1 1 -25 3  13 o 375.2267 4.641310 1897.910       46.85526 1912.300      67.76900 1884.731       64.85377 376.5783 6.683322 373.8751 6.442068 2.703217       9.282620 
1 1 1 -25 3  14 o 601.9016 6.655271 4890.736       107.8087 4964.244      155.3974 4822.527       149.6918 606.2377 9.519574 597.5654 9.303129 8.672302       13.31054 
1 1 1 -25 3  15 o 45.59379 12.12620 18.97183       21.15141 1.026273      31.98520 32.91822       28.19690 40.18113 17.03818 51.00645 17.25917 -10.82533      24.25239 
1 1 1 -25 3  16 o 371.1254 4.767813 1854.484       47.56326 1905.072      69.69930 1810.395       65.06844 375.8414 6.887163 366.4094 6.595085 9.432007       9.535625 
1 1 1 -25 3  17 o 294.0261 6.452677 1165.776       51.08686 0.000000      0.000000 1165.776       51.08686 ?        ?        294.0261 6.452677 ?              ?        
1 1 1 -25 3  18 o 117.9408 8.133805 193.2975       24.73387 129.1240      34.77714 258.9826       35.18437 97.49978 13.24667 138.3819 9.442502 -40.88213      16.26761 
1 1 1 -25 3  19 o 135.2811 6.858394 247.7751       24.45854 247.4960      31.52450 248.1971       38.76725 135.2663 8.655164 135.2959 10.64135 -0.2967834E-01 13.71679 
1 1 1 -25 3  20 o 161.2936 5.991108 333.9288       24.58435 301.0763      29.61294 406.7842       44.09895 149.2745 7.367369 173.3127 9.449622 -24.03818      11.98222 
1 1 1 -25 3  21 o 115.4590 8.006284 180.4250       23.69909 178.5339      29.26992 184.0246       40.38153 114.7556 9.472490 116.1623 12.91024 -1.406670      16.01257 
1 1 1 -25 3  22 o 142.3465 6.598517 266.6837       24.33044 247.0130      30.04802 304.1362       41.46161 135.0621 8.262264 149.6310 10.29061 -14.56895      13.19703 
1 1 1 -25 3  23 o 30.75940 10.32050 -39.42074      22.09172 -47.89249     28.15412 -25.84738      35.63683 26.16630 12.70630 35.35249 16.26656 -9.186197      20.64100 
1 1 1 -25 3  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  25 o 30.04753 10.36943 -74.34813      27.80819 -50.42380     38.31274 -100.9841      40.42572 32.50437 15.53664 27.59069 13.73728 4.913679       20.73885 
1 1 1 -25 3  26 f 46.68920 20.43454 -1.648396      48.92282 0.000000      0.000000 -1.648396      48.92282 ?        ?        46.68920 20.43454 ?              ?        
1 1 1 -25 3  27 o 256.3758 8.966092 890.8896       61.89614 0.000000      0.000000 890.8896       61.89614 ?        ?        256.3758 8.966092 ?              ?        
1 1 1 -25 3  28 o 48.87840 13.16180 10.78574       28.65389 -42.58825     42.30097 56.04163       38.95140 35.55981 16.80153 62.19698 20.26426 -26.63717      26.32359 
1 1 1 -25 3  29 f 142.6597 9.884093 282.4205       37.96834 0.000000      0.000000 282.4205       37.96834 ?        ?        142.6597 9.884093 ?              ?        
1 1 1 -25 3  30 o 39.98880 12.49382 -2.770682      26.29615 5.168520      39.51212 -9.082902      35.23164 42.79033 18.55062 37.18727 16.74088 5.603065       24.98765 
1 1 1 -25 3  31 o 63.16994 13.30263 62.83005       29.06647 9.005092      42.69544 109.3256       39.68216 44.18816 19.22003 82.15173 18.39647 -37.96357      26.60526 
1 1 1 -25 3  32 o 61.90434 14.79178 69.36018       29.31768 82.84268      43.69323 58.31896       39.54009 66.50945 21.44558 57.29922 20.37827 9.210224       29.58356 
1 1 1 -25 3  33 o 59.89296 15.11909 78.04219       31.97956 59.29050      48.80974 92.14620       42.33092 53.32736 21.68386 66.45855 21.07507 -13.13119      30.23819 
1 1 1 -25 5  1  o 335.0279 5.057157 1519.926       45.60485 1485.325      64.83607 1553.808       64.15927 331.2227 7.269645 338.8331 7.032184 -7.610413      10.11431 
1 1 1 -25 5  2  o 431.7830 5.462520 2522.906       63.50257 2523.335      90.50189 2522.490       89.12630 431.8024 7.783756 431.7636 7.666136 0.3881836E-01  10.92504 
1 1 1 -25 5  3  o 39.88947 11.86659 3.654472       21.57407 2.477465      32.28204 4.604423       29.00161 40.52232 17.14626 39.25662 16.40944 1.265701       23.73318 
1 1 1 -25 5  4  o 189.0114 4.896968 482.7570       24.91503 500.0201      35.49683 465.9938       34.97921 192.3488 6.853567 185.6740 6.996413 6.674805       9.793936 
1 1 1 -25 5  5  o 213.8983 4.470045 616.8311       25.72518 592.0886      35.54678 644.0402       37.27663 209.4032 6.304250 218.3934 6.338898 -8.990173      8.940089 
1 1 1 -25 5  6  o 255.1962 4.301112 878.8275       29.49572 878.3046      40.44278 879.4217       43.11149 255.1341 5.886933 255.2584 6.272342 -0.1242981     8.602223 
1 1 1 -25 5  7  o 49.04393 11.57207 28.95375       19.83304 48.53510      26.02045 1.805592       30.63823 58.63403 16.02416 39.45383 16.69962 19.18019       23.14414 
1 1 1 -25 5  8  o 191.0629 4.689186 488.9891       23.90689 467.4521      31.46861 518.3854       36.76473 186.1462 6.278271 195.9796 6.966861 -9.833389      9.378371 
1 1 1 -25 5  9  o 343.4183 4.477043 1590.213       41.39701 1578.776      58.13850 1601.974       58.95853 342.1678 6.310173 344.6687 6.352745 -2.500946      8.954085 
1 1 1 -25 5  10 o 278.7558 4.220237 1041.508       31.54099 1110.552      47.33529 986.3723       42.29967 287.0073 6.125037 270.5043 5.807368 16.50293       8.440474 
1 1 1 -25 5  11 f 70.94312 10.04104 72.92421       18.38032 53.58249      28.40649 86.85394       24.10690 61.74883 16.68775 80.13740 11.17179 -18.38857      20.08208 
1 1 1 -25 5  12 o 201.4482 4.451382 541.4349       23.87332 583.8824      37.16473 511.6150       31.14998 208.0840 6.632984 194.8124 5.938242 13.27164       8.902763 
1 1 1 -25 5  13 o 122.5520 6.260086 197.2233       20.37264 243.4173      32.03552 165.8562       26.39834 134.2702 8.860712 110.8337 8.845478 23.43651       12.52017 
1 1 1 -25 5  14 o 245.8719 4.410220 815.8001       29.03023 807.9031      43.33416 822.2297       39.10125 244.7721 6.574838 246.9716 5.879767 -2.199539      8.820439 
1 1 1 -25 5  15 o 55.19250 12.42315 41.03719       20.80093 33.55356      32.67787 46.13511       26.97078 52.79749 18.55146 57.58752 16.52823 -4.790031      24.84631 
1 1 1 -25 5  16 o 179.1305 5.190525 434.2000       24.95965 400.6523      35.62747 466.5359       34.97805 172.2973 7.679326 185.9638 6.985281 -13.66647      10.38105 
1 1 1 -25 5  17 o 198.0986 4.753494 529.5283       25.35236 517.8030      35.57364 541.6302       36.14037 195.8690 6.744956 200.3282 6.699881 -4.459183      9.506989 
1 1 1 -25 5  18 o 133.4899 6.621047 238.4303       22.64082 232.3807      27.83471 250.2589       38.92171 131.1229 7.883605 135.8569 10.63964 -4.734039      13.24209 
1 1 1 -25 5  19 o 269.7704 4.659948 970.4609       33.04311 929.6488      41.97261 1036.984       53.58671 262.4743 5.938761 277.0666 7.182729 -14.59235      9.319897 
1 1 1 -25 5  20 o 176.2662 5.797598 433.5484       25.39537 457.2813      30.99324 385.0591       44.30107 184.0231 6.254770 168.5094 9.763526 15.51367       11.59520 
1 1 1 -25 5  21 o 212.9297 5.164065 589.0087       28.44792 532.6993      34.96682 699.2430       48.92427 198.5628 6.539957 227.2967 7.993701 -28.73395      10.32813 
1 1 1 -25 5  22 o 183.5741 5.542374 456.8086       26.64058 459.3794      33.98275 452.7094       42.91114 184.3567 6.845674 182.7915 8.718278 1.565247       11.08475 
1 1 1 -25 5  23 o 69.97759 11.73119 72.71090       25.54839 119.1739      33.78115 10.62152       39.05076 93.31541 13.44429 46.63978 19.22848 46.67562       23.46238 
1 1 1 -25 5  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 5  25 o 33.48268 11.32549 -55.41689      29.14762 -35.46030     41.47475 -74.89239      40.97178 36.51229 17.05566 30.45307 14.90541 6.059223       22.65098 
1 1 1 -25 5  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 5  27 o 180.9765 9.430552 460.2346       45.95605 0.000000      0.000000 460.2346       45.95605 ?        ?        180.9765 9.430552 ?              ?        
1 1 1 -25 5  28 f 63.30293 13.63944 61.10466       26.59464 37.29333      39.04889 81.70445       36.32020 53.68942 20.06914 72.91644 18.47612 -19.22702      27.27888 
1 1 1 -25 5  29 o 65.88727 12.71386 61.56831       25.74021 108.1250      38.19543 22.83262       34.83984 84.66271 17.33802 47.11182 18.60005 37.55090       25.42772 
1 1 1 -25 5  30 o 44.15129 13.34834 10.80805       27.92978 11.38504      42.72255 10.37740       36.90938 45.43091 19.48902 42.87168 18.24531 2.559227       26.69669 
1 1 1 -25 5  31 o 38.38498 12.59321 -17.13272      29.69794 -13.31778     49.91920 -19.22261      36.94764 41.73261 19.22072 35.03735 16.27637 6.695263       25.18643 
1 1 1 -25 5  32 o 67.62658 12.78415 88.28886       29.92782 13.57137      47.59204 137.1614       38.49069 44.17831 19.70420 91.07484 16.29363 -46.89653      25.56830 
1 1 1 -25 5  33 o 88.26659 19.38766 147.8120       44.81911 0.000000      0.000000 147.8120       44.81911 ?        ?        88.26659 19.38766 ?              ?        
1 1 1 -25 7  1  o 48.63346 13.18979 22.94134       24.50193 10.04397      38.24097 31.92350       31.91309 45.98215 18.99943 51.28478 18.30037 -5.302635      26.37957 
1 1 1 -25 7  2  o 301.0136 4.991229 1227.204       40.41663 1202.318      58.08021 1250.569       56.27788 298.0122 7.237870 304.0151 6.874786 -6.002930      9.982457 
1 1 1 -25 7  3  o 179.3019 5.492411 437.7881       26.34576 391.6672      37.95208 480.6852       36.60166 170.0665 8.287689 188.5372 7.209751 -18.47072      10.98482 
1 1 1 -25 7  4  o 266.3262 4.576547 957.5494       32.79650 1009.836      47.06658 908.2012       45.72503 273.3987 6.393414 259.2536 6.550068 14.14505       9.153093 
1 1 1 -25 7  5  o 306.5496 4.507675 1269.177       37.16532 1264.388      51.29957 1274.468       53.91750 305.9645 6.226719 307.1347 6.519548 -1.170135      9.015350 
1 1 1 -25 7  6  o 389.3981 4.901453 2047.997       51.37142 2016.840      71.43065 2081.377       73.93433 386.3452 6.866345 392.4509 6.996446 -6.105621      9.802905 
1 1 1 -25 7  7  o 157.7415 5.315206 338.1568       22.23620 347.9019      29.27146 324.8596       34.19236 160.5004 6.773060 154.9827 8.193371 5.517700       10.63041 
1 1 1 -25 7  8  o 366.4247 4.719436 1810.735       46.53699 1872.346      67.24302 1754.100       64.47097 372.3954 6.705939 360.4539 6.642492 11.94141       9.438872 
1 1 1 -25 7  9  o 181.5797 4.807905 443.7268       23.45582 405.1905      32.23942 487.0660       34.18949 173.2222 6.911943 189.9371 6.684970 -16.71487      9.615809 
1 1 1 -25 7  10 o 334.9254 4.551903 1509.616       40.84542 1555.873      61.28533 1472.647       54.78757 339.4935 6.704119 330.3574 6.159063 9.136108       9.103806 
1 1 1 -25 7  11 o 246.3160 4.384235 814.7941       28.86089 848.0200      43.93520 789.5737       38.27804 250.6870 6.508746 241.9449 5.875567 8.742065       8.768470 
1 1 1 -25 7  12 o 94.15118 9.033533 131.2713       20.48020 90.90543      32.60599 157.5735       26.32000 80.34132 15.63476 107.9610 9.053895 -27.61971      18.06707 
1 1 1 -25 7  13 o 43.97693 12.23661 11.31101       20.81675 28.82492      34.89511 1.634712       25.93746 51.51525 19.02771 36.43861 15.39107 15.07664       24.47323 
1 1 1 -25 7  14 o 260.4021 4.583444 914.4974       31.52214 917.8477      49.71955 912.2456       40.76135 260.7427 7.081604 260.0615 5.820887 0.6812134      9.166888 
1 1 1 -25 7  15 o 146.5687 5.970738 294.9909       23.14939 237.2603      33.29565 349.0107       32.20781 132.4007 9.339287 160.7366 7.441543 -28.33586      11.94148 
1 1 1 -25 7  16 o 240.0777 4.367686 773.2083       28.14006 722.1160      37.94398 835.6549       41.94881 231.3248 6.091684 248.8306 6.260839 -17.50580      8.735372 
1 1 1 -25 7  17 o 205.5432 4.708305 573.5422       25.45246 585.6941      32.85128 555.2932       40.25803 208.3472 5.855733 202.7392 7.374480 5.607956       9.416611 
1 1 1 -25 7  18 o 49.59959 12.02148 31.99282       19.30612 39.89398      22.86623 12.37772       36.02834 53.33598 15.18956 45.86321 18.63709 7.472775       24.04296 
1 1 1 -25 7  19 o 232.3508 4.729459 720.1452       28.63604 694.2234      35.90579 765.4485       47.46758 226.7706 5.880231 237.9311 7.409049 -11.16058      9.458918 
1 1 1 -25 7  20 o 42.48792 11.84437 13.52397       20.79279 28.09067      24.07176 -29.28608      41.26672 46.88723 15.94639 38.08861 17.51768 8.798622       23.68874 
1 1 1 -25 7  21 o 229.1888 6.147033 709.4262       37.93520 709.4262      37.93520 0.000000       0.000000 229.1888 6.147033 ?        ?        ?              ?        
1 1 1 -25 7  22 o 80.15141 11.10721 102.0724       25.49431 174.5164      34.38737 13.65384       37.99003 113.2111 11.28045 47.09172 19.13719 66.11937       22.21442 
1 1 1 -25 7  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 7  24 f 123.9424 12.43222 210.5099       41.49081 0.000000      0.000000 210.5099       41.49081 ?        ?        123.9424 12.43222 ?              ?        
1 1 1 -25 7  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 7  26 o 178.7837 10.60783 436.2077       51.06670 0.000000      0.000000 436.2077       51.06670 ?        ?        178.7837 10.60783 ?              ?        
1 1 1 -25 7  27 o 55.94495 14.28827 38.45266       28.16126 56.82842      41.32401 22.51920       38.47998 62.78476 20.89262 49.10514 19.49659 13.67962       28.57654 
1 1 1 -25 7  28 o 37.68849 12.06716 -13.82063      26.37009 -18.62440     38.04992 -9.380992      36.57941 37.05358 16.96000 38.32340 17.17044 -1.269821      24.13433 
1 1 1 -25 7  29 o 31.25631 10.67478 -51.94732      26.64450 -36.61480     40.43355 -63.71561      35.42354 34.61060 16.37555 27.90201 13.69837 6.708588       21.34957 
1 1 1 -25 7  30 o 93.09981 12.73903 133.2183       30.21749 163.7544      48.89175 114.3445       38.43781 101.1446 18.63861 85.05507 17.37050 16.08949       25.47807 
1 1 1 -25 7  31 f 45.07855 13.32271 19.86606       28.71748 -15.90086     48.54936 39.11547       35.61652 39.99247 18.60462 50.16463 19.07478 -10.17216      26.64543 
1 1 1 -25 7  32 o 46.77107 13.51977 31.10836       31.31763 -28.18084     53.20338 62.54435       38.74048 37.53198 18.03724 56.01016 20.14435 -18.47818      27.03954 
1 1 1 -25 9  1  o 230.1981 5.965551 724.3824       36.42963 722.1501      56.51301 725.9695       47.65158 229.6007 9.140962 230.7955 7.667726 -1.194809      11.93110 
1 1 1 -25 9  2  o 92.69598 10.66507 117.4116       26.38683 126.5544      40.61383 110.7333       34.71082 95.68810 15.76277 89.70387 14.37045 5.984230       21.33014 
1 1 1 -25 9  3  o 94.51384 10.04197 121.5558       25.39919 141.8580      38.00674 105.1718       34.14289 101.6136 13.89073 87.41404 14.50560 14.19960       20.08395 
1 1 1 -25 9  4  o 364.9174 5.082924 1800.825       49.93463 1764.693      69.76904 1838.772       71.49921 361.1696 7.174112 368.6653 7.202540 -7.495697      10.16585 
1 1 1 -25 9  5  o 44.33814 11.78878 10.71161       21.17229 -15.00698     28.80192 40.94822       31.22946 33.29807 15.04952 55.37822 18.14975 -22.08015      23.57756 
1 1 1 -25 9  6  o 430.8221 5.286146 2510.215       61.31104 2482.049      85.71169 2539.729       87.73761 428.3599 7.431009 433.2842 7.520203 -4.924255      10.57229 
1 1 1 -25 9  7  o 332.9660 4.648745 1497.295       41.64925 1481.851      57.68946 1514.109       60.19209 331.1922 6.468938 334.7398 6.678034 -3.547668      9.297489 
1 1 1 -25 9  8  o 574.4568 6.502228 4472.367       100.5773 4450.444      142.1724 4494.331       142.3031 573.0399 9.213975 575.8737 9.177067 -2.833801      13.00446 
1 1 1 -25 9  9  o 341.9202 4.695670 1575.207       43.07180 1622.882      64.11437 1535.992       58.14732 346.5845 6.870097 337.2559 6.403048 9.328613       9.391339 
1 1 1 -25 9  10 o 79.85827 10.39296 82.34637       21.26950 138.4674      34.82264 48.95012       26.86259 100.8401 12.82463 58.87639 16.35797 41.96375       20.78592 
1 1 1 -25 9  11 o 87.33286 9.166857 98.90700       20.87581 124.0828      35.32809 85.39974       25.87689 95.40660 13.75176 79.25911 12.12494 16.14749       18.33371 
1 1 1 -25 9  12 o 214.6482 4.735591 609.4764       26.55875 673.1756      44.05053 573.0972       33.28978 223.2190 7.328863 206.0774 5.999254 17.14159       9.471182 
1 1 1 -25 9  13 o 284.3344 4.448483 1093.532       33.95362 1057.878      49.52177 1125.161       46.64279 279.9185 6.570238 288.7503 5.998998 -8.831726      8.896966 
1 1 1 -25 9  14 o 285.2512 4.432833 1091.487       33.92821 1182.205      50.64287 1017.613       45.70035 295.9272 6.355505 274.5752 6.181229 21.35199       8.865666 
1 1 1 -25 9  15 o 134.1641 5.871423 239.0376       20.48906 227.1243      25.55200 260.4927       34.29044 129.6401 7.319847 138.6880 9.182281 -9.047913      11.74285 
1 1 1 -25 9  16 o 132.3265 7.081334 269.6676       21.96473 335.3918      27.60167 156.1804       36.26987 157.5831 6.504926 107.0699 12.58042 50.51321       14.16267 
1 1 1 -25 9  17 o 117.1435 7.645715 199.8849       21.64456 222.5241      26.39796 153.4411       37.80978 128.2651 7.643257 106.0219 13.24419 22.24323       15.29143 
1 1 1 -25 9  18 o 170.8964 5.722076 409.0955       24.61455 438.7574      30.53943 354.0999       41.58387 180.2283 6.292952 161.5645 9.558629 18.66385       11.44415 
1 1 1 -25 9  19 o 162.0233 5.874278 362.7771       24.39765 381.4059      30.63547 330.4756       40.34076 167.9850 6.772834 156.0615 9.599858 11.92351       11.74856 
1 1 1 -25 9  20 o 158.6501 7.392171 340.3906       31.57881 340.3906      31.57881 0.000000       0.000000 158.6501 7.392171 ?        ?        ?              ?        
1 1 1 -25 9  21 o 28.61158 13.88154 -55.43595      33.40623 -55.43595     33.40623 0.000000       0.000000 28.61158 13.88154 ?        ?        ?              ?        
1 1 1 -25 9  22 o 86.55797 16.11971 106.7020       36.18809 106.7020      36.18809 0.000000       0.000000 86.55797 16.11971 ?        ?        ?              ?        
1 1 1 -25 9  23 o 53.50673 12.88851 18.04549       26.73389 76.38992      40.58973 -26.65618      35.52862 72.17782 20.12704 34.83565 16.10458 37.34217       25.77703 
1 1 1 -25 9  24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  25 o 246.6749 9.190157 826.5245       61.04234 0.000000      0.000000 826.5245       61.04234 ?        ?        246.6749 9.190157 ?              ?        
1 1 1 -25 9  26 o 37.77515 12.28517 -26.12058      28.40508 -14.79801     43.31483 -34.66390      37.62509 41.31809 18.58494 34.23221 16.07177 7.085884       24.57034 
1 1 1 -25 9  27 o 50.38506 18.50303 33.44079       32.92247 0.000000      0.000000 33.44079       32.92247 ?        ?        50.38506 18.50303 ?              ?        
1 1 1 -25 9  28 o 77.06125 12.99676 86.99207       27.09970 134.4756      42.78527 55.18028       35.02006 94.03492 17.54276 60.08759 19.18111 33.94733       25.99353 
1 1 1 -25 9  29 o 91.53139 12.96499 138.1269       30.16624 107.2456      48.49349 157.6203       38.52829 79.30250 21.95902 103.7603 13.79003 -24.45777      25.92998 
1 1 1 -25 9  30 o 41.12774 13.04411 1.536857       28.55450 -6.591879     50.70634 5.311742       34.55434 42.89972 19.61469 39.35576 17.20056 3.543953       26.08822 
1 1 1 -25 9  31 o 48.49106 15.22428 30.33613       33.27680 0.2934736     93.87141 34.65408       35.58794 50.01639 24.01622 46.96572 18.71726 3.050671       30.44856 
1 1 1 -25 11 1  o 161.7191 8.277762 367.4185       35.13556 297.4138      52.20977 425.3667       47.50162 146.8905 13.20002 176.5477 9.992242 -29.65720      16.55552 
1 1 1 -25 11 2  o 179.4827 7.564592 426.7478       36.05740 540.0874      55.63388 344.6546       47.34808 199.5954 10.35155 159.3700 11.03348 40.22540       15.12918 
1 1 1 -25 11 3  o 55.67334 13.13931 42.01500       26.27109 3.892425      38.91209 73.94662       35.61263 42.58310 18.43500 68.76359 18.72742 -26.18049      26.27861 
1 1 1 -25 11 4  o 93.12486 10.28898 120.4628       25.13877 106.0935      34.67921 136.3749       36.49330 86.52481 15.45181 99.72491 13.59021 -13.20010      20.57796 
1 1 1 -25 11 5  o 71.88921 12.92536 75.25385       25.44916 91.83540      35.39274 57.50271       36.61969 79.95792 16.96416 63.82049 19.50583 16.13744       25.85073 
1 1 1 -25 11 6  o 187.5721 5.556569 475.0990       27.98193 459.2451      37.89808 494.1007       41.49030 184.1721 7.642049 190.9720 8.068513 -6.799850      11.11314 
1 1 1 -25 11 7  o 216.0426 5.166106 634.0975       29.90178 671.2968      41.10435 592.2840       43.57907 222.8615 6.849664 209.2236 7.735420 13.63797       10.33221 
1 1 1 -25 11 8  o 125.4112 7.130705 213.5385       24.07874 212.8466      34.17701 214.2204       33.92929 125.2040 10.13754 125.6184 10.03086 -0.4144821     14.26141 
1 1 1 -25 11 9  f 242.9917 4.666036 799.1470       30.44476 728.7292      42.96351 870.1703       43.14787 232.1850 6.871984 253.7984 6.313745 -21.61342      9.332071 
1 1 1 -25 11 10 o 267.8826 6.097348 969.1902       43.98138 0.000000      0.000000 969.1902       43.98138 ?        ?        267.8826 6.097348 ?              ?        
1 1 1 -25 11 11 o 371.8066 6.690635 1868.149       66.98350 0.000000      0.000000 1868.149       66.98350 ?        ?        371.8066 6.690635 ?              ?        
1 1 1 -25 11 12 o 38.93923 11.55328 3.745096       20.39650 4.949100      30.04254 2.715603       27.78013 40.01134 16.71110 37.86711 15.95783 2.144234       23.10656 
1 1 1 -25 11 13 o 186.8799 4.610315 466.6508       22.94222 439.2149      29.93926 505.6784       35.70816 180.3339 6.165672 193.4258 6.855983 -13.09193      9.220630 
1 1 1 -25 11 14 o 367.1247 4.838418 1819.324       47.79391 1883.899      69.25550 1760.605       66.04065 373.3266 6.889410 360.9229 6.795378 12.40372       9.676835 
1 1 1 -25 11 15 o 310.8711 4.659584 1297.665       38.70512 1243.398      51.20847 1369.978       59.11317 303.3925 6.268355 318.3498 6.895985 -14.95734      9.319168 
1 1 1 -25 11 16 o 225.4942 4.705669 667.2968       27.70395 611.8831      34.56454 766.8535       46.32951 212.8565 6.030599 238.1319 7.225316 -25.27534      9.411339 
1 1 1 -25 11 17 o 294.9823 4.675459 1165.713       36.73643 1111.782      48.06981 1241.439       56.96077 286.9099 6.222193 303.0547 6.980257 -16.14487      9.350918 
1 1 1 -25 11 18 o 30.23911 10.30208 -47.81533      22.83779 -52.50788     28.11650 -38.71601      39.15266 25.42861 12.42526 35.04961 16.43608 -9.620996      20.60417 
1 1 1 -25 11 19 o 60.14876 12.50831 50.71218       24.57990 80.14561      31.97093 8.166309       38.43824 74.77978 16.33482 45.51774 18.94743 29.26204       25.01662 
1 1 1 -25 11 20 o 167.1049 6.363321 375.1404       28.42000 317.6703      38.23624 446.0825       42.48212 152.9105 9.286552 181.2994 8.702148 -28.38887      12.72664 
1 1 1 -25 11 21 o 157.1965 6.750964 328.6400       27.85082 450.2954      42.60908 237.8933       36.80032 182.1835 8.685798 132.2095 10.33726 49.97401       13.50193 
1 1 1 -25 11 22 o 114.3152 9.578157 188.7245       29.07905 236.1254      43.55632 150.6081       39.05835 127.6763 12.66944 100.9540 14.36836 26.72233       19.15631 
1 1 1 -25 11 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 11 24 o 40.54694 12.66518 -29.67569      32.35379 -123.7846     52.94676 26.40459       40.87230 31.12074 15.53100 49.97315 20.01038 -18.85241      25.33036 
1 1 1 -25 11 25 o 48.03512 13.96299 8.128270       29.09330 39.28192      47.17974 -10.98658      36.95613 57.39001 21.92229 38.68023 17.29953 18.70979       27.92599 
1 1 1 -25 11 26 o 83.64400 12.18416 98.48270       26.68249 143.6197      43.59622 71.44794       33.73989 99.15350 16.32892 68.13451 18.08816 31.01898       24.36832 
1 1 1 -25 11 27 o 61.18104 14.00051 56.76165       25.51424 60.09044      43.30541 54.99182       31.57667 62.49560 21.38781 59.86647 18.07261 2.629124       28.00103 
1 1 1 -25 11 28 o 53.44594 16.65613 17.82101       31.01278 53.26485      93.64215 13.45450       32.86763 64.91239 28.34436 41.97948 17.50154 22.93291       33.31226 
1 1 1 -25 11 29 o 53.00402 16.43183 27.26607       30.63243 50.14006      95.99280 24.67266       32.32234 61.26981 27.60299 44.73822 17.83523 16.53159       32.86366 
1 1 1 -25 11 30 o 39.91076 13.69589 -19.91365      34.41670 -81.17448     96.41731 -10.96815      36.84393 44.40571 21.95287 35.41581 16.38235 8.989899       27.39178 
1 1 1 -25 11 31 o 40.50338 13.84172 -8.764472      36.55142 -42.17112     95.08956 -2.972702      39.59333 44.19329 21.83906 36.81348 17.01258 7.379814       27.68344 
1 1 1 -25 13 1  o 67.12301 13.82416 68.01402       26.07150 76.82521      41.50208 62.27011       33.50860 70.27930 20.59957 63.96672 18.44146 6.312572       27.64832 
1 1 1 -25 13 2  o 44.40292 12.35204 -1.862091      27.79451 -81.67075     44.65028 48.62870       35.51447 31.20633 15.33247 57.59951 19.37024 -26.39318      24.70407 
1 1 1 -25 13 3  o 35.23613 16.79539 -55.85760      44.12448 0.000000      0.000000 -55.85760      44.12448 ?        ?        35.23613 16.79539 ?              ?        
1 1 1 -25 13 4  o 157.0434 11.96546 335.1219       50.59789 0.000000      0.000000 335.1219       50.59789 ?        ?        157.0434 11.96546 ?              ?        
1 1 1 -25 13 5  o 208.3687 8.631822 605.4700       48.43044 0.000000      0.000000 605.4700       48.43044 ?        ?        208.3687 8.631822 ?              ?        
1 1 1 -25 13 6  o 191.8457 6.351258 501.3294       32.48516 414.6803      45.26303 593.3712       46.65028 174.5763 9.628859 209.1151 8.284864 -34.53879      12.70252 
1 1 1 -25 13 7  o 38.68980 12.53960 -31.22920      29.95450 -49.41484     41.69510 -11.83158      43.06207 34.69615 16.47766 42.68344 18.90644 -7.987293      25.07921 
1 1 1 -25 13 8  o 278.8647 5.099132 1052.720       38.28216 1050.794      53.61517 1054.724       54.67880 278.6181 7.146527 279.1113 7.275421 -0.4932251     10.19826 
1 1 1 -25 13 9  o 205.8856 5.699221 563.3921       31.28389 676.4922      48.18548 480.9826       41.13138 223.4081 8.010027 188.3631 8.109498 35.04494       11.39844 
1 1 1 -25 13 10 o 113.8140 11.81053 176.8277       36.19500 0.000000      0.000000 176.8277       36.19500 ?        ?        113.8140 11.81053 ?              ?        
1 1 1 -25 13 11 o 31.53610 14.98396 -80.99657      20.34793 -101.7481     25.17471 -41.89416      34.55746 ?        ?        31.53610 14.98396 ?              ?        
1 1 1 -25 13 12 o 76.60915 11.16381 84.97316       21.45130 90.57639      26.41365 74.11790       36.76456 81.48161 12.03886 71.73670 18.80394 9.744904       22.32762 
1 1 1 -25 13 13 o 24.37492 12.24924 -167.2495      21.18662 -200.1655     26.30607 -106.4807      35.74311 ?        ?        24.37492 12.24924 ?              ?        
1 1 1 -25 13 14 o 285.7068 6.360248 1103.256       48.93031 1103.256      48.93031 0.000000       0.000000 285.7068 6.360248 ?        ?        ?              ?        
1 1 1 -25 13 15 o 67.11903 8.524733 67.49167       23.68926 154.9528      29.11911 -103.6784      40.73657 106.7283 10.13246 27.50972 13.71195 79.21863       17.04947 
1 1 1 -25 13 16 o 119.9767 12.63705 197.0610       40.82497 0.000000      0.000000 197.0610       40.82497 ?        ?        119.9767 12.63705 ?              ?        
1 1 1 -25 13 17 o 123.9393 11.97696 155.0444       32.32154 121.3166      35.27176 331.7351       80.73091 93.96509 13.94046 153.9135 19.47958 -59.94844      23.95393 
1 1 1 -25 13 18 o 38.32652 12.15516 -19.13021      26.90417 1.048128      34.97260 -48.38572      42.11039 41.54108 17.72152 35.11196 16.64149 6.429123       24.31031 
1 1 1 -25 13 19 o 101.6315 9.764173 144.4497       26.27287 172.1870      36.90133 115.9350       37.41491 111.9273 12.24398 91.33580 15.21319 20.59145       19.52835 
1 1 1 -25 13 20 o 30.53535 10.56244 -70.04794      29.14430 -92.10563     44.24858 -53.14692      38.73254 29.73264 14.72987 31.33806 15.14238 -1.605421      21.12488 
1 1 1 -25 13 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 13 22 o ?        ?        -310.5212      54.63414 -310.5212     54.63414 0.000000       0.000000 ?        ?        ?        ?        ?              ?        
1 1 1 -25 13 23 o 58.50477 21.84982 43.33930       46.26567 43.33930      46.26567 0.000000       0.000000 58.50477 21.84982 ?        ?        ?              ?        
1 1 1 -25 13 24 o 171.9262 10.42236 411.7411       48.24936 411.7411      48.24936 0.000000       0.000000 171.9262 10.42236 ?        ?        ?              ?        
1 1 1 -25 13 25 o 66.23531 17.40845 62.76297       30.64028 -4.761135     119.7527 67.49316       31.69532 65.85688 30.12322 66.61373 17.45873 -0.7568512     34.81689 
1 1 1 -25 13 26 o 39.96914 13.82404 -28.55514      29.85969 -122.7934     99.40009 -19.20760      31.30558 47.28003 23.15736 32.65824 15.10472 14.62179       27.64807 
1 1 1 -25 13 27 o 51.31879 15.56469 28.00778       30.90593 -59.93738     103.1748 36.67696       32.39341 52.29504 25.12838 50.34255 18.37396 1.952492       31.12938 
1 1 1 -25 13 28 o 47.77184 14.07220 24.91615       32.02283 -185.4162     102.7861 47.52608       33.70007 41.63863 20.90387 53.90505 18.84505 -12.26643      28.14440 
1 1 1 -25 13 29 o 44.90563 14.60446 15.23586       29.10930 -7.948934     94.11546 17.68839       30.61022 49.56649 23.86330 40.24478 16.84351 9.321705       29.20892 
1 1 1 -25 13 30 o 58.48753 17.41660 71.93670       37.70136 140.8226      99.34599 60.34684       40.74970 62.76078 28.19560 54.21429 20.45384 8.546497       34.83319 
1 1 1 -25 15 1  o 84.29433 11.25657 107.5017       24.00105 95.86527      38.93360 114.6344       30.48195 78.62804 18.66797 89.96062 12.58366 -11.33258      22.51314 
1 1 1 -25 15 2  o 153.0558 6.417524 326.2740       25.88881 308.6821      40.34523 338.5878       33.75462 149.0838 10.05028 157.0279 7.983128 -7.944016      12.83505 
1 1 1 -25 15 3  o 245.1124 5.132058 816.7750       33.59143 860.3865      51.42138 784.3094       44.36647 250.5858 7.620859 239.6391 6.875651 10.94667       10.26412 
1 1 1 -25 15 4  f 255.2621 5.447020 884.3198       37.18301 923.9871      56.45911 853.9367       49.41212 260.1383 8.060209 250.3859 7.328925 9.752441       10.89404 
1 1 1 -25 15 5  o 73.40362 10.07042 70.23857       29.75841 -73.51990     44.01542 191.2767       40.38771 31.40089 15.38626 115.4063 12.99679 -84.00545      20.14084 
1 1 1 -25 15 6  o 60.89856 23.00231 38.87786       51.57489 0.000000      0.000000 38.87786       51.57489 ?        ?        60.89856 23.00231 ?              ?        
1 1 1 -25 15 7  o 282.9695 9.243472 1083.661       70.43008 0.000000      0.000000 1083.661       70.43008 ?        ?        282.9695 9.243472 ?              ?        
1 1 1 -25 15 8  o 29.95635 10.49388 -98.32735      31.15883 -102.6982     41.65246 -92.77332      46.95258 28.00753 13.94472 31.90517 15.68537 -3.897640      20.98775 
1 1 1 -25 15 9  o 29.28938 10.21179 -56.85205      23.64497 -62.45980     27.92416 -42.64466      44.44708 23.25206 11.55060 35.32671 16.84357 -12.07465      20.42357 
1 1 1 -25 15 10 o 311.8058 5.082595 1321.749       42.32092 1275.427      55.94625 1383.713       64.70658 305.7033 6.796535 317.9082 7.558981 -12.20496      10.16519 
1 1 1 -25 15 11 o 189.5475 5.726242 463.5444       27.85410 411.5824      33.82672 572.9774       49.08981 174.1102 7.215263 204.9847 8.893782 -30.87450      11.45248 
1 1 1 -25 15 12 o 178.3810 6.603797 468.4502       28.90489 546.7607      36.31902 333.1506       47.73885 200.8804 6.714491 155.8816 11.37349 44.99876       13.20759 
1 1 1 -25 15 13 o 186.8796 6.039552 479.0855       29.72876 495.7609      38.64596 454.9139       46.52848 191.1170 7.509678 182.6422 9.460944 8.474869       12.07910 
1 1 1 -25 15 14 o 204.5647 7.212653 568.5688       39.72914 568.5688      39.72914 0.000000       0.000000 204.5647 7.212653 ?        ?        ?              ?        
1 1 1 -25 15 15 o 66.23031 13.20683 72.17460       28.03143 104.6106      35.76838 20.54150       45.12839 82.98873 16.58650 49.47189 20.55650 33.51685       26.41367 
1 1 1 -25 15 16 o 37.97383 12.48921 -25.73546      29.24867 -32.71494     36.34953 -12.91707      49.26106 32.99403 15.58482 42.95362 19.52013 -9.959591      24.97843 
1 1 1 -25 15 17 o ?        ?        -327.7290      32.21362 -260.2689     45.03480 -398.4109      46.09768 ?        ?        ?        ?        ?              ?        
1 1 1 -25 15 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 15 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 15 20 o 28.23652 9.900534 -90.51093      29.53249 -161.2101     48.77422 -49.58751      37.10812 26.13482 13.26805 30.33822 14.69833 -4.203400      19.80107 
1 1 1 -25 15 21 o 55.17191 13.63098 38.21845       24.65580 55.48129      39.62144 27.30912       31.49728 62.05246 20.44857 48.29136 18.02970 13.76111       27.26195 
1 1 1 -25 15 22 o 37.21538 13.75970 -74.43229      27.99600 -130.9937     111.6092 -70.63445      28.92063 51.23373 24.97324 23.19703 11.56092 28.03670       27.51940 
1 1 1 -25 15 23 o 38.47531 13.61792 -37.64880      27.80764 -180.8152     109.0084 -27.68392      28.75912 47.34441 23.39374 29.60621 13.94717 17.73820       27.23583 
1 1 1 -25 15 24 o 36.93859 12.82991 -32.19390      27.39031 -166.5663     93.25075 -19.50617      28.65427 42.81381 21.24063 31.06337 14.39659 11.75045       25.65982 
1 1 1 -25 15 25 o 71.12012 17.54031 78.65614       31.80795 94.66467      96.73639 76.71555       33.68074 72.83974 30.16740 69.40051 17.90468 3.439240       35.08061 
1 1 1 -25 15 26 o 44.45229 15.03266 -14.07058      32.61703 -17.79366     96.06379 -13.58544      34.67708 53.75762 25.37513 35.14697 16.12533 18.61065       30.06532 
1 1 1 -25 15 27 o 57.04203 16.53901 52.02302       32.24096 48.29404      99.54968 52.45999       34.07766 58.77496 27.09645 55.30910 18.97202 3.465858       33.07802 
1 1 1 -25 15 28 o 52.13701 15.81097 47.68172       32.18895 47.64547      101.4063 47.68578       33.94445 53.37254 25.44604 50.90148 18.77355 2.471062       31.62194 
1 1 1 -25 17 1  o 71.56926 9.934684 76.44474       18.17541 86.44868      28.89548 69.89552       23.37971 75.01003 14.83185 68.12849 13.22150 6.881538       19.86937 
1 1 1 -25 17 2  o 121.7298 6.529314 211.4591       20.90026 173.2244      30.94766 243.5200       28.33916 110.8121 10.37188 132.6475 7.934224 -21.83542      13.05863 
1 1 1 -25 17 3  o 118.1363 6.949688 201.4585       20.95342 170.8345      34.00071 220.2107       26.60619 109.8685 11.49295 126.4042 7.816959 -16.53571      13.89938 
1 1 1 -25 17 4  o 105.1792 7.505604 154.2532       19.93701 91.66752      26.84205 231.2686       29.77603 80.69595 12.35323 129.6625 8.528429 -48.96655      15.01121 
1 1 1 -25 17 5  o 77.82811 9.150411 76.24432       17.52937 38.99976      21.41005 151.9794       30.53057 51.35076 14.72260 104.3055 10.87037 -52.95470      18.30082 
1 1 1 -25 17 6  o 86.64365 8.955778 98.95225       19.79259 85.04392      23.81816 129.9878       35.57957 77.89598 11.35559 95.39132 13.85187 -17.49534      17.91156 
1 1 1 -25 17 7  o 118.1941 7.518588 182.6920       20.83924 172.5862      23.86739 215.1100       42.74763 112.3894 7.886717 123.9988 12.80298 -11.60941      15.03718 
1 1 1 -25 17 8  o 144.9691 6.753575 307.5610       23.66829 339.1284      28.79795 241.8552       41.54743 157.9046 6.773038 132.0337 11.68628 25.87090       13.50715 
1 1 1 -25 17 9  o 144.9119 6.964636 283.4898       24.40536 271.0192      28.52901 317.5182       47.12619 140.2912 7.552191 149.5327 11.70423 -9.241486      13.92927 
1 1 1 -25 17 10 o 184.2304 6.895165 501.7140       31.13323 549.3666      38.21051 407.5984       53.69950 199.7279 7.104944 168.7328 11.81918 30.99507       13.79033 
1 1 1 -25 17 11 o 98.00681 11.85900 219.3399       30.41262 297.5438      35.18719 -11.59994      60.46720 147.0744 8.885139 48.93925 21.99085 98.13512       23.71800 
1 1 1 -25 17 12 o 261.8150 7.401103 932.8901       52.17643 932.8901      52.17643 0.000000       0.000000 261.8150 7.401103 ?        ?        ?              ?        
1 1 1 -25 17 13 o 216.7246 7.089733 688.6076       38.55603 838.3052      50.35260 476.4296       59.94660 248.0781 7.537894 185.3712 12.00989 62.70695       14.17947 
1 1 1 -25 17 14 o 30.57668 10.62210 -98.66393      31.83368 -38.46962     42.08712 -179.1448      48.66512 35.59565 16.80024 25.55770 13.00262 10.03794       21.24421 
1 1 1 -25 17 15 o 62.54940 13.20613 54.22243       29.91732 117.0103      42.58428 -6.970444      42.03992 84.72298 19.12047 40.37582 18.22128 44.34716       26.41226 
1 1 1 -25 17 16 o 82.82996 12.26608 97.73147       27.51180 165.1417      43.19894 51.73388       35.68433 106.9209 15.00470 58.73906 19.40840 48.18180       24.53216 
1 1 1 -25 17 17 o 49.95556 12.85962 25.07895       22.81429 51.52029      36.73892 8.482748       29.10644 59.94743 19.68760 39.96369 16.54925 19.98374       25.71924 
1 1 1 -25 17 18 o 47.83235 15.36527 7.771968       26.12243 -66.97459     101.2507 13.10209       27.03778 55.31834 26.09328 40.34636 16.23287 14.97198       30.73053 
1 1 1 -25 17 19 o 70.56126 18.27554 51.41287       27.89402 137.1582      99.50376 44.09982       29.05919 86.58048 32.10082 54.54205 17.47910 32.03843       36.55108 
1 1 1 -25 17 20 o 88.74062 16.30588 134.6918       28.40129 97.35519      94.27894 138.4183       29.78492 77.98540 30.65824 99.49585 11.11752 -21.51045      32.61176 
1 1 1 -25 17 21 o 98.95909 16.76586 145.1624       27.64110 172.6394      95.92520 142.6743       28.86545 96.71069 31.81483 101.2075 10.59210 -4.496811      33.53172 
1 1 1 -25 17 22 o 93.04446 16.02048 155.8450       28.50264 119.3286      89.89850 159.9260       30.05315 79.46015 30.28299 106.6288 10.46724 -27.16862      32.04095 
1 1 1 -25 17 23 f 56.66641 15.17734 48.17403       27.95061 8.380399      77.56675 54.11216       29.96356 54.79839 24.73845 58.53443 17.59022 -3.736034      30.35468 
1 1 1 -25 17 24 o 50.80341 14.42323 34.47702       30.89209 -81.41642     85.70840 51.78088       33.11811 45.10908 21.96515 56.49775 18.69894 -11.38867      28.84646 
1 1 1 -25 17 25 o 45.35697 15.07675 -2.582620      34.85695 0.9915559E-01 90.41875 -3.050741      37.77689 52.46974 24.72167 38.24420 17.26478 14.22554       30.15350 
1 1 1 -25 17 26 o 66.33013 16.55120 97.86420       36.36546 81.63422      88.87360 101.1280       39.85461 59.07021 26.59074 73.59006 19.71552 -14.51985      33.10241 
1 1 1 -25 17 27 o 45.80072 14.90785 23.46153       40.35260 -30.31407     94.77797 35.36774       44.59657 45.01902 22.16197 46.58243 19.94549 -1.563408      29.81569 
1 1 1 -25 19 1  o 49.07826 11.61963 35.21298       17.86439 63.37878      30.79066 20.92083       21.93344 59.42445 17.82540 38.73207 14.91033 20.69238       23.23925 
1 1 1 -25 19 2  o 34.27017 10.63076 -7.586586      17.65808 24.44242      32.52500 -20.97263      21.02673 43.93288 17.75889 24.60745 11.69078 19.32543       21.26153 
1 1 1 -25 19 3  o 36.83718 10.39246 12.92679       16.21880 -1.111666     25.17732 22.88453       21.20461 32.91915 14.52512 40.75521 14.86721 -7.836060      20.78492 
1 1 1 -25 19 4  o 75.60295 7.793872 81.75092       15.80892 90.07275      22.50117 73.63872       22.21595 79.60997 10.49673 71.59593 11.52373 8.014038       15.58774 
1 1 1 -25 19 5  o 115.0073 5.521155 180.3868       16.65298 171.9892      21.06643 194.3763       27.19013 111.7934 6.998280 118.2212 8.541470 -6.427757      11.04231 
1 1 1 -25 19 6  o 85.54143 7.945766 105.5759       16.65750 108.5404      20.02997 98.92764       29.99555 88.47695 8.407497 82.60591 13.48535 5.871040       15.89153 
1 1 1 -25 19 7  o 248.6360 4.714743 853.9819       31.23962 925.3406      42.50565 770.1608       46.06806 260.3884 6.062360 236.8837 7.222396 23.50464       9.429486 
1 1 1 -25 19 8  o 111.4193 7.201320 166.5552       19.67751 158.4384      23.19014 187.4272       37.18711 107.4062 8.018452 115.4324 11.96413 -8.026215      14.40264 
1 1 1 -25 19 9  o 100.8221 8.215849 141.0041       20.95682 138.4337      25.52008 146.3268       36.72412 100.0769 9.470318 101.5672 13.42810 -1.490265      16.43170 
1 1 1 -25 19 10 o 137.4637 7.213198 262.8132       25.31771 263.7037      31.27461 261.1200       43.12482 138.4834 8.387081 136.4440 11.73788 2.039413       14.42640 
1 1 1 -25 19 11 o 128.2927 7.635844 238.1962       25.29054 277.0992      33.42451 186.0951       38.68095 141.7816 8.755113 114.8037 12.51289 26.97787       15.27169 
1 1 1 -25 19 12 o 140.9365 6.714589 274.8536       25.37550 309.1108      36.50808 242.8345       35.29538 149.6015 9.062949 132.2714 9.909883 17.33015       13.42918 
1 1 1 -25 19 13 o 64.23470 17.85043 49.17624       31.61514 60.89258      101.9709 47.93023       33.25377 71.58141 30.39133 56.88800 18.73283 14.69341       35.70087 
1 1 1 -25 19 14 o 75.14055 17.95954 81.13667       32.00310 95.43468      100.5287 79.52422       33.75948 78.10352 31.34416 72.17758 17.54205 5.925934       35.91907 
1 1 1 -25 19 15 o 76.16996 17.52872 21.26777       27.75898 238.0742      98.84382 2.704307       28.92297 114.8644 31.16518 37.47549 16.05478 77.38895       35.05745 
1 1 1 -25 19 16 f 138.1617 11.09080 58.59874       28.60309 842.2410      102.4875 -7.595364      29.78665 241.3362 15.77121 34.98714 15.59781 206.3491       22.18159 
1 1 1 -25 19 17 o 84.05791 14.69966 140.6788       28.40540 28.09050      86.93344 154.1360       30.05509 63.00246 27.41460 105.1134 10.61883 -42.11091      29.39932 
1 1 1 -25 19 18 o 61.82928 16.80345 42.96967       27.45359 88.84831      82.49429 37.25570       29.11305 72.91327 28.67375 50.74529 17.52827 22.16798       33.60690 
1 1 1 -25 19 19 o 49.76763 15.70597 -28.01153      30.06276 87.07437      80.77655 -46.51528      32.38950 71.23038 28.25830 28.30488 13.71779 42.92550       31.41193 
1 1 1 -25 19 20 o 53.83201 15.66470 35.50111       31.56905 12.90622      77.64780 39.97559       34.55378 55.45448 24.91906 52.20955 18.98873 3.244930       31.32940 
1 1 1 -25 19 21 o 82.18279 15.80847 118.0324       30.06081 112.1276      80.92779 118.9775       32.37735 74.46925 28.64824 89.89632 13.37568 -15.42707      31.61693 
1 1 1 -25 19 22 o 50.79919 15.31738 30.00099       30.21774 23.87762      77.22947 31.10791       32.83555 54.48328 24.63227 47.11509 18.21371 7.368183       30.63475 
1 1 1 -25 19 23 o 70.64052 17.48499 57.01570       30.82953 215.6468      84.87592 32.90546       33.08957 94.35581 29.83385 46.92522 18.24392 47.43059       34.96997 
1 1 1 -25 19 24 o 44.45750 14.56812 12.73661       30.75174 30.73941      82.76602 9.853283       33.12292 50.78786 23.84211 38.12715 16.74737 12.66072       29.13624 
1 1 1 -25 19 25 o 53.87808 14.22944 64.19167       32.01116 -59.84009     98.19780 78.93938       33.86082 43.44165 21.59361 64.31451 18.53709 -20.87286      28.45888 
1 1 1 -25 21 3  o 57.98770 24.78749 85.89863       68.67046 0.000000      0.000000 85.89863       68.67046 ?        ?        57.98770 24.78749 ?              ?        
1 1 1 -25 21 4  o 82.27579 5.809481 96.95302       12.83518 100.7623      17.77146 92.79929       18.55740 84.18218 7.840062 80.36938 8.575178 3.812798       11.61896 
1 1 1 -25 21 5  o 56.76366 8.947600 48.77705       13.38939 35.61252      17.66656 66.54452       20.52401 47.47779 13.29233 66.04951 11.98132 -18.57172      17.89520 
1 1 1 -25 21 6  o 73.67754 15.67078 89.31013       23.77763 117.8966      88.30270 87.07532       24.68957 70.54404 28.97919 76.81104 11.93731 -6.266991      31.34155 
1 1 1 -25 21 7  o 88.59657 14.91752 143.6213       26.70790 125.5984      74.84671 146.2511       28.59005 76.30446 27.91721 100.8887 10.52420 -24.58421      29.83504 
1 1 1 -25 21 8  o 57.33700 15.95300 22.37382       19.96762 128.3879      77.87708 14.91398       20.65821 77.96485 28.48403 36.70915 14.37542 41.25570       31.90599 
1 1 1 -25 21 9  o 52.13247 14.57753 36.40983       24.92385 26.44950      66.22896 38.05318       26.90148 54.37213 23.78697 49.89281 16.85817 4.479321       29.15506 
1 1 1 -25 21 10 o 113.7579 13.87746 188.2730       34.13792 249.9967      75.73947 172.5365       38.24287 118.8225 24.48669 108.6932 13.06666 10.12924       27.75492 
1 1 1 -25 21 11 f 70.71049 17.33259 68.52286       35.76223 147.1403      74.19061 44.72654       40.81731 86.63568 27.94610 54.78531 20.51073 31.85038       34.66518 
1 1 1 -25 21 12 o 64.85383 15.57309 74.93826       34.73983 17.92093      71.52749 92.54018       39.74200 54.69304 24.28953 75.01463 19.49623 -20.32159      31.14618 
1 1 1 -25 21 13 o 61.59531 16.19468 62.85431       35.22163 21.51822      78.32855 73.33074       39.43320 56.74804 25.29685 66.44259 20.22721 -9.694546      32.38935 
1 1 1 -25 21 14 o 45.90942 14.87681 0.1776394      30.34310 3.963190      79.64898 -0.4650320     32.81785 54.14527 24.68902 37.67358 16.60513 16.47169       29.75362 
1 1 1 -25 21 15 o 69.37144 16.10904 78.76044       28.37421 82.96129      80.26751 78.16055       30.33260 68.25897 27.78695 70.48391 16.30616 -2.224937      32.21809 
1 1 1 -25 21 16 o 47.35354 14.81694 15.06807       30.31742 -5.784478     76.96781 18.89762       32.98404 51.36917 23.73244 43.33791 17.74649 8.031254       29.63387 
1 1 1 -25 21 17 o 41.39653 13.37381 0.5107034      28.23131 -72.12209     76.05814 12.11671       30.40330 42.95430 20.86448 39.83875 16.73643 3.115547       26.74761 
1 1 1 -25 21 18 o 39.44664 13.40746 -23.95362      31.08804 -36.33869     75.86610 -21.45429      34.08079 46.01455 21.95779 32.87873 15.39141 13.13582       26.81492 
1 1 1 -25 21 19 o 97.99796 15.58448 189.2599       29.35196 157.6597      83.85754 193.6719       31.33411 80.03539 29.50932 115.9605 10.03515 -35.92512      31.16896 
1 1 1 -25 21 20 o 47.11152 14.34288 28.80523       29.47684 -24.03690     81.40985 36.77818       31.62251 46.44852 22.31961 47.77453 18.01965 -1.326012      28.68576 
1 1 1 -25 21 21 o 78.19429 16.21440 121.2822       30.33941 163.9918      89.15146 115.6880       32.26526 71.41596 29.20220 84.97263 14.10174 -13.55666      32.42881 
1 1 1 -25 21 22 o 51.92721 15.88731 41.60655       29.62447 103.7009      85.27081 33.08311       31.59233 59.23491 26.40059 44.61951 17.68150 14.61539       31.77462 
1 1 1 -25 23 7  o 96.11079 14.68451 162.2336       17.06691 208.7772      78.15280 159.9028       17.48902 85.27005 28.73428 106.9515 6.072886 -21.68147      29.36901 
1 1 1 -25 23 8  o 45.94429 13.35898 31.67008       18.80020 22.25247      75.61628 32.29058       19.40967 47.85965 22.56727 44.02893 14.30272 3.830727       26.71796 
1 1 1 -25 23 9  o 75.93084 14.70146 89.41515       22.05200 164.8011      68.32494 80.64915       23.29887 79.43511 26.86642 72.42657 11.94686 7.008545       29.40293 
1 1 1 -25 23 10 o 53.43698 13.18793 50.61214       32.87379 -76.60345     64.17424 95.87091       38.27736 35.96969 17.80531 70.90427 19.45911 -34.93458      26.37586 
1 1 1 -25 23 11 o 42.44835 13.49884 16.96058       25.86244 -19.26044     77.08813 21.55450       27.45356 44.65229 21.52252 40.24441 16.29897 4.407887       26.99769 
1 1 1 -25 23 12 o 58.16145 16.72226 64.13368       35.48384 102.4769      78.53555 54.29855       39.77520 62.68269 26.64394 53.64020 20.21477 9.042492       33.44452 
1 1 1 -25 23 13 o 47.45129 13.44504 37.73167       26.99843 -56.25224     78.93411 50.18356       28.73132 41.76877 20.49446 53.13381 17.40843 -11.36504      26.89008 
1 1 1 -25 23 14 o 42.12774 13.44147 15.91934       26.22382 -24.20575     77.27873 21.14113       27.87801 44.10078 21.32842 40.15471 16.36434 3.946068       26.88295 
1 1 1 -25 23 15 o 40.51857 13.26056 8.678685       27.36031 -39.46011     80.85036 14.90447       29.07578 42.92010 20.99281 38.11703 16.20714 4.803070       26.52112 
1 1 1 -25 23 16 o 48.01261 15.76610 -15.58948      27.12691 160.4280      88.13437 -34.00950      28.51101 69.60397 28.80843 26.42125 12.82008 43.18272       31.53221 
1 1 1 -25 23 17 o 54.28161 16.14779 49.26812       29.00411 113.7330      88.00671 41.41314       30.72039 60.62050 26.93132 47.94272 17.82438 12.67778       32.29559 
1 1 1 -25 23 18 o 46.18369 13.14210 36.92694       28.25973 -82.16698     79.50988 54.14698       30.23385 38.71341 19.27366 53.65397 17.87135 -14.94056      26.28420 
1 1 1 -24 0  1  o 31.42986 13.48620 -16.54222      26.32052 -74.99889     37.84698 38.21125       36.62857 19.04773 13.79562 43.81199 23.17738 -0.000000      0.000000 
1 1 1 -24 0  2  o 112.4274 10.06279 175.8251       28.46502 222.5522      43.54607 140.9624       37.61362 126.2083 13.13990 98.64650 15.24408 -0.000000      0.000000 
1 1 1 -24 0  3  o 419.9859 7.333073 2386.904       82.81094 2365.124      116.4830 2409.162       117.7521 418.0471 10.36232 421.9247 10.37873 -0.000000      0.000000 
1 1 1 -24 0  4  o 141.4664 8.299643 273.1270       30.85981 323.0939      45.98758 232.1948       41.62284 153.4899 11.26651 129.4429 12.19025 -0.000000      0.000000 
1 1 1 -24 0  5  o 182.4487 6.614441 453.8492       32.12864 402.2863      45.41743 505.5001       45.45612 171.8602 9.889323 193.0373 8.786615 -0.000000      0.000000 
1 1 1 -24 0  6  f 105.3459 9.972720 157.9792       26.77700 165.4692      37.51404 150.1994       38.23299 108.2876 13.41984 102.4042 14.75562 -0.000000      0.000000 
1 1 1 -24 0  7  o 85.99644 13.51868 111.6406       26.66715 63.50390      34.57485 182.3261       41.89743 58.42452 22.93406 113.5684 14.31949 -0.000000      0.000000 
1 1 1 -24 0  8  o 124.8449 8.410299 212.0239       27.26176 194.9145      35.07924 238.1156       43.31953 118.6374 11.21112 131.0524 12.53967 -0.000000      0.000000 
1 1 1 -24 0  9  o 29.90141 13.51147 -13.99622      25.13289 -40.87453     32.53311 25.78903       39.58091 20.41748 14.44306 39.38533 22.83939 -0.000000      0.000000 
1 1 1 -24 0  10 o 348.8771 6.184703 1637.284       57.72584 1581.007      77.29773 1708.247       86.79921 342.1577 8.401349 355.5965 9.078520 -0.000000      0.000000 
1 1 1 -24 0  11 o 618.8340 9.599975 5173.014       159.6515 5356.956      231.8131 5007.045       220.1971 629.2725 13.69558 608.3954 13.45619 -0.000000      0.000000 
1 1 1 -24 0  12 o 189.6949 6.117757 491.4821       30.87113 541.8052      42.87833 437.3229       44.48259 200.0136 7.990473 179.3761 9.266075 -0.000000      0.000000 
1 1 1 -24 0  13 o 548.2554 8.629731 4063.725       127.2526 4058.012      179.2732 4069.526       180.6594 547.8737 12.16565 548.6371 12.24279 -0.000000      0.000000 
1 1 1 -24 0  14 o 387.0152 6.681165 2022.189       69.50145 2060.961      100.0719 1986.061       96.59979 390.5923 9.527727 383.4380 9.368793 -0.000000      0.000000 
1 1 1 -24 0  15 o 710.4694 10.96190 6833.364       209.4706 6869.932      298.1129 6797.703       294.3946 712.3350 15.55898 708.6038 15.44575 -0.000000      0.000000 
1 1 1 -24 0  16 o 595.8124 9.378821 4782.145       149.8904 4560.957      203.0742 5046.872       222.1637 580.7662 13.00055 610.8586 13.52165 -0.000000      0.000000 
1 1 1 -24 0  17 f 148.6527 9.444830 318.2610       35.11079 237.0151      52.60775 383.5183       47.14800 129.6713 15.67520 167.6342 10.54075 -0.000000      0.000000 
1 1 1 -24 0  18 o 314.1931 6.574717 1326.273       55.25513 1418.245      83.13634 1253.499       73.95252 323.8785 9.551706 304.5076 9.037286 -0.000000      0.000000 
1 1 1 -24 0  19 o 33.76802 15.21625 -6.802554      32.11436 -36.50348     44.35025 25.93698       46.56369 26.33374 18.23120 41.20230 24.36719 -0.000000      0.000000 
1 1 1 -24 0  20 f 61.50663 17.11872 75.60174       29.85008 90.56149      36.37580 44.75857       52.23119 74.26903 21.00321 48.74423 27.03827 -0.000000      0.000000 
1 1 1 -24 0  21 o 161.8599 8.372616 354.1704       33.12777 345.6165      39.53979 374.3175       60.68185 159.2015 9.296219 164.5183 13.92778 -0.000000      0.000000 
1 1 1 -24 0  22 o 156.0160 10.21611 376.0539       33.34803 411.7437      38.68788 272.8715       65.78184 174.0745 8.296805 137.9575 18.67186 -0.000000      0.000000 
1 1 1 -24 0  23 o 46.49257 17.79420 41.61148       28.83158 44.77948      32.56462 30.12157       62.01716 47.18426 22.45289 45.80087 27.61162 -0.000000      0.000000 
1 1 1 -24 0  24 o 151.0748 8.713178 309.8127       31.38676 302.9561      36.93653 327.6266       59.53616 148.8865 9.296416 153.2631 14.73956 -0.000000      0.000000 
1 1 1 -24 0  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  26 o 27.78247 14.02624 -71.13339      40.99634 -57.14821     47.86930 -109.6174      79.40781 24.91541 17.60429 30.64952 21.84102 -0.000000      0.000000 
1 1 1 -24 0  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  28 o 33.08738 16.38387 -69.63251      52.60790 -115.3779     70.11732 -10.71512      79.57442 26.54501 19.16265 39.62975 26.58039 -0.000000      0.000000 
1 1 1 -24 0  29 o 102.0907 16.44800 167.6600       39.15701 206.8969      58.43364 135.6802       52.75368 115.9811 20.66610 88.20026 25.59413 -0.000000      0.000000 
1 1 1 -24 0  30 o 31.91925 15.12626 -19.22063      36.76971 9.642118      53.36345 -45.31154      50.73640 36.97659 23.70190 26.86190 18.79984 -0.000000      0.000000 
1 1 1 -24 0  31 f 165.7660 9.980536 394.1573       43.75235 376.1990      61.99725 411.9749       61.75379 161.6434 14.51302 169.8885 13.70462 -0.000000      0.000000 
1 1 1 -24 0  32 o 41.91605 18.34891 35.34693       41.06815 35.87754      57.11108 34.77876       59.09815 41.92201 25.85269 41.91009 26.04550 -0.000000      0.000000 
1 1 1 -24 0  33 o 31.64260 15.36810 -23.66971      44.37529 -78.71215     66.32220 20.94405       59.70965 26.42716 19.01233 36.85804 24.15046 -0.000000      0.000000 
1 1 1 -24 2  1  o 153.0259 5.445347 316.7900       22.42857 317.3213      32.18715 316.2886       31.27029 153.1405 7.805653 152.9113 7.594670 0.2291260      10.89069 
1 1 1 -24 2  2  o 289.4083 4.406543 1124.059       34.19550 1202.076      51.29266 1061.643       45.87849 298.3741 6.384262 280.4424 6.075500 17.93170       8.813087 
1 1 1 -24 2  3  o 130.5482 6.313882 230.4750       22.18876 224.1956      30.97610 237.0927       31.79939 128.7222 8.936960 132.3741 8.921389 -3.651855      12.62776 
1 1 1 -24 2  4  o 172.4183 4.808905 401.2228       22.31510 395.8411      31.93402 406.3585       31.19558 171.2814 6.924048 173.5553 6.675316 -2.273880      9.617810 
1 1 1 -24 2  5  o 393.5469 4.847026 2087.586       51.34727 2135.320      73.76127 2042.706       71.52249 397.9064 6.884367 389.1875 6.824965 8.718964       9.694053 
1 1 1 -24 2  6  o 284.0420 4.272972 1087.620       32.68002 1090.208      46.42413 1085.078       46.01167 284.3757 6.062726 283.7082 6.022997 0.6675110      8.545943 
1 1 1 -24 2  7  o 310.0143 4.342524 1294.908       36.22706 1276.385      50.20488 1315.030       52.32655 307.7079 6.059319 312.3206 6.222115 -4.612701      8.685048 
1 1 1 -24 2  8  o 104.5224 6.746108 148.4533       18.82286 155.8467      25.41084 139.4643       28.01896 107.4485 8.782845 101.5963 10.24214 5.852264       13.49222 
1 1 1 -24 2  9  o 374.8740 4.605344 1892.745       46.44579 1940.748      67.40752 1849.356       64.08676 379.3871 6.598457 370.3608 6.426284 9.026306       9.210688 
1 1 1 -24 2  10 o 329.1236 4.265551 1460.091       37.79899 1449.279      53.03981 1471.249       53.88182 327.8874 6.007501 330.3599 6.057195 -2.472504      8.531101 
1 1 1 -24 2  11 o 134.6644 4.988678 242.7350       18.00701 277.3626      26.70475 213.8629       24.38463 143.4096 6.915553 125.9192 7.191854 17.49043       9.977356 
1 1 1 -24 2  12 o 560.4924 6.199694 4240.912       93.56133 4262.093      133.1885 4220.277       131.4598 561.8677 8.803376 559.1172 8.731860 2.750549       12.39939 
1 1 1 -24 2  13 o 293.5125 4.150280 1161.191       32.78266 1163.901      47.18354 1158.662       45.58131 293.8378 5.963477 293.1873 5.773755 0.6504822      8.300560 
1 1 1 -24 2  14 o 300.8078 5.865687 1219.699       47.51070 0.000000      0.000000 1219.699       47.51070 ?        ?        300.8078 5.865687 ?              ?        
1 1 1 -24 2  15 o 405.7330 4.922978 2220.000       53.78316 2204.894      75.95727 2235.189       76.16492 404.3474 6.976399 407.1186 6.947855 -2.771210      9.845956 
1 1 1 -24 2  16 o 455.3105 5.359264 2795.645       65.67541 2825.099      94.50101 2768.131       91.33784 457.6187 7.669187 453.0024 7.488017 4.616211       10.71853 
1 1 1 -24 2  17 o 164.2091 5.615341 366.3582       24.59635 310.3021      34.91317 421.5953       34.65723 151.6227 8.551488 176.7956 7.280129 -25.17287      11.23068 
1 1 1 -24 2  18 o 161.6823 5.551533 351.4697       24.05013 340.7497      32.23949 364.9207       36.11324 158.9267 7.533695 164.4379 8.156073 -5.511246      11.10307 
1 1 1 -24 2  19 o 158.3163 6.049347 323.4043       25.16918 270.9932      31.67467 413.1880       41.45713 141.6953 8.301823 174.9373 8.801031 -33.24200      12.09869 
1 1 1 -24 2  20 o 386.8597 6.794716 2019.778       70.77962 2019.778      70.77962 0.000000       0.000000 386.8597 6.794716 ?        ?        ?              ?        
1 1 1 -24 2  21 o 63.87391 11.55942 61.04097       22.35972 86.73807      28.15280 17.13651       36.79881 79.83773 13.09574 47.91009 19.05209 31.92764       23.11884 
1 1 1 -24 2  22 o 128.3519 6.267454 221.1820       21.45723 210.0012      28.18242 236.6021       33.09676 124.5639 8.402384 132.1399 9.301820 -7.575989      12.53491 
1 1 1 -24 2  23 o 35.29292 10.97585 -7.239769      20.14216 -10.16864     27.52639 -3.863981      29.55200 33.69053 15.00892 36.89532 16.01902 -3.204792      21.95169 
1 1 1 -24 2  24 o 28.56585 9.588046 -36.67612      20.22229 -22.90415     27.86165 -52.00816      29.39738 30.70735 14.21904 26.42434 12.86628 4.283007       19.17609 
1 1 1 -24 2  25 o 189.0334 8.045033 484.3785       40.94961 0.000000      0.000000 484.3785       40.94961 ?        ?        189.0334 8.045033 ?              ?        
1 1 1 -24 2  26 o 82.54155 13.29949 97.81599       28.90759 116.0861      42.99426 82.74243       39.05244 89.65611 18.42530 75.42698 19.18370 14.22913       26.59898 
1 1 1 -24 2  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  28 o 39.32983 13.00588 -28.00666      34.38744 -43.95156     52.33489 -15.89265      45.61675 38.51065 18.33830 40.14902 18.44773 -1.638367      26.01177 
1 1 1 -24 2  29 o 205.9116 7.549541 581.0888       41.85860 0.000000      0.000000 581.0888       41.85860 ?        ?        205.9116 7.549541 ?              ?        
1 1 1 -24 2  30 o 88.59001 11.90739 125.0628       26.94513 71.99495      40.20667 168.3282       36.30384 67.92799 20.36790 109.2520 12.34069 -41.32404      23.81479 
1 1 1 -24 2  31 o 167.5220 6.968281 396.4736       31.23312 351.4227      44.55112 440.0164       43.79909 157.6394 10.49568 177.4047 9.168884 -19.76538      13.93656 
1 1 1 -24 2  32 o 44.16215 13.46748 14.73717       29.01523 17.02954      43.23416 12.85857       39.13836 45.35413 19.53336 42.97017 18.54561 2.383957       26.93496 
1 1 1 -24 2  33 o 51.51878 14.75455 49.29682       31.43743 57.11131      48.84618 43.77095       41.07527 53.51965 21.71795 49.51791 19.97793 4.001740       29.50910 
1 1 1 -24 4  1  o 290.5447 4.536359 1140.262       35.48437 1127.683      49.65836 1153.387       50.72354 288.9127 6.383259 292.1767 6.447340 -3.264008      9.072718 
1 1 1 -24 4  2  o 207.3160 4.617724 580.1984       25.74303 587.3444      37.48909 573.8225       35.41193 208.5076 6.677279 206.1243 6.380239 2.383286       9.235448 
1 1 1 -24 4  3  o 332.2979 4.611007 1489.515       41.23490 1456.758      57.16579 1525.046       59.53633 328.5004 6.462745 336.0955 6.578638 -7.595154      9.222014 
1 1 1 -24 4  4  o 108.9433 7.220026 165.0420       20.56976 201.5431      28.37130 124.5927       29.86630 122.0759 8.631095 95.81079 11.57667 26.26511       14.44005 
1 1 1 -24 4  5  f 289.3466 4.349213 1128.586       33.87983 1157.539      48.28941 1100.518       47.54588 293.0026 6.120642 285.6906 6.180643 7.312042       8.698425 
1 1 1 -24 4  6  o 390.9437 4.844689 2061.005       50.98427 2052.893      71.18156 2069.551       73.06043 390.1612 6.775479 391.7263 6.926538 -1.565063      9.689378 
1 1 1 -24 4  7  o 504.8345 5.764878 3438.666       78.35374 3478.644      111.9721 3400.307       109.6813 507.7036 8.190608 501.9655 8.114753 5.738098       11.52976 
1 1 1 -24 4  8  o 466.4410 5.400744 2935.109       67.83165 2931.832      96.01196 2938.375       95.84513 466.1797 7.648717 466.7023 7.626878 -0.5225525     10.80149 
1 1 1 -24 4  9  o 578.4730 6.429469 4518.082       100.1461 4495.965      141.7925 4540.097       141.4641 577.0545 9.125422 579.8916 9.059744 -2.837097      12.85894 
1 1 1 -24 4  10 f 585.4936 6.469917 4628.509       102.0004 4618.248      144.3871 4638.732       144.1139 584.8423 9.168666 586.1448 9.130984 -1.302490      12.93983 
1 1 1 -24 4  11 o 145.1005 4.989431 284.3337       19.44632 260.7113      27.44124 308.1638       27.56165 139.0284 7.330219 151.1726 6.770937 -12.14420      9.978863 
1 1 1 -24 4  12 o 369.4534 4.564452 1840.439       45.40334 1809.902      64.19973 1870.995       64.22032 366.3830 6.507505 372.5239 6.402284 -6.140961      9.128903 
1 1 1 -24 4  13 f 602.1725 6.634594 4895.595       107.5473 4941.490      154.1962 4852.118       150.0771 604.9039 9.466818 599.4412 9.297888 5.462646       13.26919 
1 1 1 -24 4  14 o 228.9027 4.451144 710.7131       27.23382 662.3472      40.17451 751.8361       37.04449 221.6308 6.731892 236.1746 5.825149 -14.54381      8.902287 
1 1 1 -24 4  15 o 723.4228 7.867652 7071.696       153.1731 7193.766      220.9985 6958.843       212.4908 729.3926 11.25238 717.4530 10.99926 11.93958       15.73530 
1 1 1 -24 4  16 o 372.7781 6.721295 1873.856       67.46627 0.000000      0.000000 1873.856       67.46627 ?        ?        372.7781 6.721295 ?              ?        
1 1 1 -24 4  17 o 53.30807 12.57721 36.22388       21.42233 44.21893      29.87320 27.75991       30.73676 57.07388 17.64669 49.54225 17.92593 7.531628       25.15442 
1 1 1 -24 4  18 o 209.8051 4.655039 567.9510       25.42590 500.8945      31.46509 694.1252       43.16124 192.7553 6.062326 226.8549 7.065816 -34.09964      9.310078 
1 1 1 -24 4  19 o 368.3317 4.868362 1832.683       48.15106 1866.948      66.05263 1793.824       70.34131 372.0413 6.593494 364.6221 7.164471 7.419189       9.736725 
1 1 1 -24 4  20 o 251.9164 4.715657 836.1957       30.81816 784.6697      38.20936 932.1144       52.13244 241.1557 5.884219 262.6770 7.370595 -21.52135      9.431314 
1 1 1 -24 4  21 o 219.2343 6.267191 648.7921       36.99685 648.7921      36.99685 0.000000       0.000000 219.2343 6.267191 ?        ?        ?              ?        
1 1 1 -24 4  22 o 193.0499 6.576628 503.4801       34.18663 503.4801      34.18663 0.000000       0.000000 193.0499 6.576628 ?        ?        ?              ?        
1 1 1 -24 4  23 o 144.6317 6.079417 283.0548       23.59072 279.4095      31.94007 287.4303       34.99323 143.6434 8.257846 145.6199 8.924417 -1.976501      12.15883 
1 1 1 -24 4  24 o 22.20966 11.14096 -105.3361      21.86316 -134.4507     33.42228 -83.55894      28.90555 ?        ?        22.20966 11.14096 ?              ?        
1 1 1 -24 4  25 o 213.9061 8.004931 620.1899       46.10671 620.1899      46.10671 0.000000       0.000000 213.9061 8.004931 ?        ?        ?              ?        
1 1 1 -24 4  26 o 166.0807 6.982303 376.7490       30.95468 425.9026      47.77413 341.1807       40.63931 175.1561 10.12941 157.0054 9.612766 18.15068       13.96461 
1 1 1 -24 4  27 o 747.2309 11.67526 7578.511       234.9117 0.000000      0.000000 7578.511       234.9117 ?        ?        747.2309 11.67526 ?              ?        
1 1 1 -24 4  28 o 68.24551 14.45559 71.49853       30.20378 42.05477      45.16843 95.31281       40.62162 57.43415 21.56177 79.05688 19.25997 -21.62273      28.91118 
1 1 1 -24 4  29 o 42.54076 12.84081 6.146478       26.17468 -2.687478     38.33254 13.86355       35.82749 40.79590 17.96556 44.28563 18.35169 -3.489723      25.68162 
1 1 1 -24 4  30 o 37.42612 12.05305 -20.00435      26.74192 2.527933      40.95581 -36.75007      35.30732 43.02197 18.76656 31.83027 15.13012 11.19169       24.10610 
1 1 1 -24 4  31 o 91.87778 12.55922 140.4550       29.65755 87.68123      44.28602 183.3680       39.93486 71.71734 21.34730 112.0382 13.23740 -40.32088      25.11843 
1 1 1 -24 4  32 o 45.53328 13.26119 11.49082       27.63900 57.49767      43.83970 -18.85906      35.60695 57.17222 21.28557 33.89433 15.82281 23.27789       26.52238 
1 1 1 -24 4  33 o 115.5125 10.74080 221.3728       32.61805 218.9926      51.16032 223.0030       42.33931 112.3891 16.90540 118.6358 13.25392 -6.246704      21.48160 
1 1 1 -24 6  1  o 195.6595 4.972285 519.0108       26.10853 475.0234      37.18803 561.7665       36.66365 187.4217 7.368853 203.8974 6.677910 -16.47572      9.944571 
1 1 1 -24 6  2  f 407.0018 5.104259 2240.122       55.93059 2226.540      79.63552 2253.344       78.57082 405.7670 7.288644 408.2366 7.147694 -2.469635      10.20852 
1 1 1 -24 6  3  o 80.90733 9.952544 92.45203       20.49904 132.3912      29.83750 56.74877       28.21087 98.69358 11.22768 63.12107 16.43629 35.57251       19.90509 
1 1 1 -24 6  4  o 361.4861 4.739293 1763.982       46.11792 1750.710      64.37071 1777.978       66.10504 360.0991 6.638697 362.8730 6.765448 -2.773865      9.478585 
1 1 1 -24 6  5  o 276.7211 4.325055 1033.250       32.16590 1032.327      44.14471 1034.295       46.96509 276.6086 5.926929 276.8336 6.300470 -0.2250366     8.650110 
1 1 1 -24 6  6  o 219.8448 4.217573 652.0295       24.92585 658.1730      34.37179 645.2151       36.20020 220.9478 5.777356 218.7419 6.146044 2.205933       8.435146 
1 1 1 -24 6  7  o 47.95235 11.76516 28.12824       18.70330 33.69997      24.77921 20.75088       28.51299 50.39003 16.13983 45.51467 17.12256 4.875359       23.53032 
1 1 1 -24 6  8  o 105.1780 6.709086 151.2716       18.67745 161.5392      24.78254 137.7720       28.41661 109.3970 8.413117 100.9589 10.45308 8.438072       13.41817 
1 1 1 -24 6  9  o 281.3149 4.179085 1066.592       31.64113 1073.008      45.51284 1060.589       44.01918 282.1288 5.991052 280.5010 5.828062 1.627838       8.358171 
1 1 1 -24 6  10 f 378.6590 4.663704 1933.517       47.54067 1925.124      67.87386 1941.601       66.60929 377.8456 6.671214 379.4724 6.518853 -1.626892      9.327408 
1 1 1 -24 6  11 o 127.5733 5.675920 220.3251       19.34533 213.4450      28.98371 225.8526       25.97910 125.7518 8.559659 129.3948 7.456309 -3.642998      11.35184 
1 1 1 -24 6  12 f 229.1274 4.186476 708.2140       25.65739 702.9465      38.49746 712.4235       34.41488 228.3439 6.261224 229.9110 5.559081 -1.567154      8.372952 
1 1 1 -24 6  13 o 296.3691 5.758934 1183.914       45.95771 0.000000      0.000000 1183.914       45.95771 ?        ?        296.3691 5.758934 ?              ?        
1 1 1 -24 6  14 o 196.1283 6.218560 518.5891       32.84077 0.000000      0.000000 518.5891       32.84077 ?        ?        196.1283 6.218560 ?              ?        
1 1 1 -24 6  15 o 393.7406 4.886344 2090.321       51.79824 2042.602      72.67569 2139.590       73.84589 389.1720 6.935283 398.3092 6.885296 -9.137177      9.772689 
1 1 1 -24 6  16 f 71.61864 10.50063 77.03220       19.66539 101.3220      25.77752 43.21253       30.41684 86.55898 11.05976 56.67829 17.85314 29.88069       21.00126 
1 1 1 -24 6  17 o 201.5267 4.614315 542.7985       24.33032 527.8718      30.75111 567.7827       39.78430 197.8893 5.771054 205.1642 7.201564 -7.274872      9.228629 
1 1 1 -24 6  18 o 90.75363 9.643414 120.6978       19.88685 129.4695      23.53295 98.78502       37.19496 97.88483 8.928481 83.62243 17.09573 14.26241       19.28683 
1 1 1 -24 6  19 o 76.07405 11.00528 76.15915       20.31339 67.29018      24.10420 97.89369       37.73388 69.15933 13.42784 82.98876 17.44012 -13.82943      22.01056 
1 1 1 -24 6  20 o 80.43451 11.32233 109.0611       21.04174 130.1359      24.66471 52.71239       40.33074 98.03584 9.343463 62.83318 20.62717 35.20266       22.64466 
1 1 1 -24 6  21 o 71.89706 11.99001 71.34641       21.41262 67.53409      25.59023 80.24819       39.10368 69.05720 14.23520 74.73692 19.29767 -5.679718      23.98001 
1 1 1 -24 6  22 o 208.2335 5.060932 585.4528       28.10108 580.1572      37.15906 592.5268       42.94849 207.1956 6.660408 209.2714 7.621750 -2.075806      10.12186 
1 1 1 -24 6  23 o 30.60794 10.17021 -34.21354      21.75496 -19.37234     30.03769 -50.58712      31.55033 33.07579 15.11277 28.14008 13.61385 4.935717       20.34042 
1 1 1 -24 6  24 o 136.9510 7.215842 255.5045       26.56552 251.0147      38.49178 259.5882       36.71016 135.7530 10.53017 138.1490 9.868590 -2.396042      14.43168 
1 1 1 -24 6  25 o 66.31045 13.89116 63.62112       26.75405 50.16661      42.13691 72.70869       34.63000 61.67717 21.09733 70.94372 18.07650 -9.266544      27.78232 
1 1 1 -24 6  26 o 32.62923 11.44825 -124.4568      38.04957 -139.7928     57.92377 -112.8164      50.46456 33.30146 16.55828 31.95701 15.81371 1.344448       22.89651 
1 1 1 -24 6  27 o 95.02620 18.72892 134.3747       46.21858 0.000000      0.000000 134.3747       46.21858 ?        ?        95.02620 18.72892 ?              ?        
1 1 1 -24 6  28 o 72.32303 13.43104 79.48310       26.85409 97.54317      38.46891 62.31740       37.50430 80.35104 18.20205 64.29502 19.75492 16.05602       26.86208 
1 1 1 -24 6  29 o 87.34781 11.58175 113.9120       26.33773 101.1215      39.22693 124.4111       35.53980 81.31399 18.35138 93.38163 14.13416 -12.06764      23.16350 
1 1 1 -24 6  30 o 45.81335 13.51439 17.55689       27.39050 9.490757      44.85418 22.35339       34.58854 45.80396 19.81099 45.82274 18.38693 -0.1878357E-01 27.02878 
1 1 1 -24 6  31 o 55.30807 13.75636 49.14970       28.23035 8.869373      47.57175 71.04530       35.07365 45.41275 20.00551 65.20340 18.88729 -19.79065      27.51272 
1 1 1 -24 6  32 o 39.78728 12.59938 -9.814701      28.26066 36.22165      45.00036 -39.79561      36.31516 49.27295 20.50503 30.30162 14.64656 18.97133       25.19877 
1 1 1 -24 6  33 o 48.30899 14.33615 41.09404       32.62394 19.48263      49.79152 57.35095       43.18501 43.72953 19.77368 52.88845 20.76300 -9.158916      28.67229 
1 1 1 -24 8  1  f 148.2568 9.407291 298.5705       37.55455 298.5705      37.55455 0.000000       0.000000 148.2568 9.407291 ?        ?        ?              ?        
1 1 1 -24 8  2  o 159.5790 5.678457 349.0969       23.99649 279.5471      34.20687 416.4879       33.67178 143.6379 8.844244 175.5201 7.124524 -31.88219      11.35691 
1 1 1 -24 8  3  o 127.6138 6.202726 221.3405       21.24907 206.6653      30.51956 235.1474       29.60284 123.4568 9.180785 131.7708 8.343165 -8.313965      12.40545 
1 1 1 -24 8  4  o 241.8160 4.347354 789.6332       28.29421 790.6413      39.44017 788.5645       40.61374 241.9860 6.052923 241.6460 6.241801 0.3399658      8.694708 
1 1 1 -24 8  5  o 61.49683 10.29384 48.32341       19.02287 14.32976      25.41921 91.59711       28.67974 40.98243 15.97443 82.01123 12.98729 -41.02880      20.58767 
1 1 1 -24 8  6  o 331.2162 4.479480 1480.901       39.93601 1488.910      55.81608 1472.500       57.16414 332.1461 6.240894 330.2863 6.427613 1.859772       8.958961 
1 1 1 -24 8  7  o 59.89612 11.40826 49.59602       18.41827 45.56462      23.40402 56.15469       29.85177 56.78934 15.05956 63.00290 17.14069 -6.213562      22.81652 
1 1 1 -24 8  8  o 446.5258 5.292421 2691.193       63.63076 2693.043      90.40518 2689.376       89.57554 446.6731 7.516577 446.3785 7.452513 0.2945557      10.58484 
1 1 1 -24 8  9  o 75.91093 9.610884 79.38472       19.07677 95.33313      27.71565 65.02672       26.29743 83.90579 12.26732 67.91608 14.79828 15.98971       19.22177 
1 1 1 -24 8  10 o 178.8656 4.790188 430.6300       22.88686 437.8793      34.75705 425.0804       30.41050 180.1743 7.164182 177.5569 6.360668 2.617462       9.580376 
1 1 1 -24 8  11 o 189.2023 4.651383 483.7124       23.39564 476.2921      35.93031 489.1741       30.82599 187.9154 7.100928 190.4891 6.009849 -2.573700      9.302767 
1 1 1 -24 8  12 o 327.6660 4.461856 1445.788       39.16236 1464.895      58.61724 1430.384       52.63274 329.5963 6.604800 325.7358 6.000772 3.860474       8.923713 
1 1 1 -24 8  13 o 177.3120 4.958470 426.0418       23.55439 397.1370      34.30787 451.8152       32.39616 171.5769 7.425944 183.0472 6.572751 -11.47031      9.916940 
1 1 1 -24 8  14 o 394.2284 4.830971 2092.931       51.22004 2155.695      74.67387 2037.166       70.38811 399.7914 6.936683 388.6654 6.725739 11.12592       9.661942 
1 1 1 -24 8  15 o 100.2907 6.977655 133.6577       18.27925 127.0682      22.94434 145.1064       30.24345 97.00319 8.784281 103.5781 10.84376 -6.574936      13.95531 
1 1 1 -24 8  16 o 239.0745 4.350420 774.2965       27.57844 791.2548      36.20977 750.8702       42.55851 242.2462 5.551181 235.9028 6.699926 6.343353       8.700840 
1 1 1 -24 8  17 o 53.34260 11.68348 41.10520       18.70144 50.56821      21.82360 14.94744       36.28374 59.76121 13.83511 46.92398 18.83096 12.83723       23.36696 
1 1 1 -24 8  18 o 201.6586 4.636976 528.2509       24.05604 483.7844      29.39923 618.3439       41.84704 189.3635 5.765757 213.9537 7.263762 -24.59021      9.273952 
1 1 1 -24 8  19 o 63.79514 12.35912 58.25526       20.02597 60.60162      23.02678 50.97172       40.57023 65.50068 13.50456 62.08960 20.70310 3.411076       24.71824 
1 1 1 -24 8  20 o 203.8285 5.138204 572.3953       27.34023 612.1069      35.36725 513.4230       43.09892 212.9007 6.169369 194.7563 8.218482 18.14447       10.27641 
1 1 1 -24 8  21 o 176.8492 5.029986 427.1785       23.64379 456.2270      31.70676 390.7920       35.48627 183.7619 6.407857 169.9364 7.755154 13.82552       10.05997 
1 1 1 -24 8  22 o 173.9409 5.162417 405.2855       23.96219 490.0728      35.65716 335.4627       32.35788 190.4094 6.954646 157.4723 7.631194 32.93712       10.32483 
1 1 1 -24 8  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 8  24 o 126.4776 8.221165 217.0611       27.91380 234.8655      41.47785 202.3221       37.73869 131.1745 11.74312 121.7807 11.50866 9.393753       16.44233 
1 1 1 -24 8  25 o 25.43960 12.90146 -175.8909      33.52595 -198.4889     49.86972 -157.2557      45.28664 ?        ?        25.43960 12.90146 ?              ?        
1 1 1 -24 8  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 8  27 o 93.97922 11.64410 126.6419       28.68742 133.9841      43.30285 120.8991       38.29705 95.48060 17.48739 92.47784 15.37957 3.002762       23.28819 
1 1 1 -24 8  28 o 37.23447 12.04347 -18.42912      26.55068 -11.45543     41.59242 -23.22528      34.49291 40.39743 18.18741 34.07150 15.79237 6.325935       24.08694 
1 1 1 -24 8  29 o 75.76877 13.17924 94.07021       27.04813 69.06782      42.40644 111.2182       35.11938 65.64886 21.12317 85.88867 15.76647 -20.23981      26.35849 
1 1 1 -24 8  30 o 56.44332 14.37954 49.99323       27.95409 40.32081      45.69860 55.77649       35.33637 54.05291 21.31444 58.83374 19.30748 -4.780830      28.75907 
1 1 1 -24 8  31 o 42.62164 14.06222 -0.8654997     31.31314 -52.40626     86.15208 6.979730       33.61191 46.23156 22.39775 39.01171 17.00955 7.219849       28.12444 
1 1 1 -24 8  32 o 51.92817 15.26147 53.57274       35.13127 14.25373      82.41277 62.30444       38.83672 48.06293 22.92151 55.79341 20.15576 -7.730480      30.52294 
1 1 1 -24 10 1  o 163.0706 6.548826 365.5006       28.26828 333.0382      42.98421 390.2401       37.52446 156.4637 10.20263 169.6775 8.213096 -13.21376      13.09765 
1 1 1 -24 10 2  o 187.6583 5.576725 474.0736       28.03711 507.8129      42.29521 447.6260       37.44692 193.5388 8.115960 181.7779 7.650531 11.76083       11.15345 
1 1 1 -24 10 3  o 142.6077 6.097261 276.1084       23.33861 250.6974      32.98952 301.5696       33.02207 135.9841 9.009579 149.2313 8.217899 -13.24722      12.19452 
1 1 1 -24 10 4  o 274.5573 4.435776 1017.794       32.72985 1011.033      44.84261 1025.501       47.88060 273.6086 6.086644 275.5060 6.454240 -1.897461      8.871552 
1 1 1 -24 10 5  o 94.45985 7.609161 121.8564       19.14106 125.4903      25.48605 117.1544       28.99038 96.15668 9.843275 92.76303 11.60635 3.393654       15.21832 
1 1 1 -24 10 6  o 258.3265 4.309033 899.2066       29.88067 878.6571      40.49685 923.7639       44.27010 255.1177 5.895183 261.5353 6.286325 -6.417557      8.618066 
1 1 1 -24 10 7  o 193.5233 6.882268 505.9450       35.86313 0.000000      0.000000 505.9450       35.86313 ?        ?        193.5233 6.882268 ?              ?        
1 1 1 -24 10 8  f 188.7758 4.813949 483.1687       24.36983 443.9042      35.01592 520.0523       33.93766 181.2766 7.173653 196.2749 6.421459 -14.99829      9.627898 
1 1 1 -24 10 9  o 213.4609 4.597945 617.0994       26.18807 599.3228      39.48750 631.0572       34.99006 210.6664 6.961150 216.2553 6.008893 -5.588943      9.195890 
1 1 1 -24 10 10 o 288.1888 4.490005 1119.622       34.44654 1130.055      52.96228 1111.973       45.34862 289.2978 6.798892 287.0799 5.866485 2.217926       8.980009 
1 1 1 -24 10 11 o 293.4789 6.119895 1107.203       39.61491 1267.617      88.50932 1067.018       44.29988 305.7392 10.75114 281.2187 5.850257 24.52054       12.23979 
1 1 1 -24 10 12 o 547.7031 6.219381 4057.110       91.65188 4086.264      132.4466 4030.321       126.9582 549.5438 8.950664 545.8625 8.637618 3.681335       12.43876 
1 1 1 -24 10 13 o 89.31055 7.733014 108.4251       18.01130 109.1394      22.83913 107.2502       29.29211 89.78475 9.446992 88.83634 12.24550 0.9484100      15.46603 
1 1 1 -24 10 14 o 200.3365 4.544218 548.2820       24.20921 603.3057      32.91854 483.4665       35.72770 211.4650 5.781210 189.2080 7.012650 22.25700       9.088435 
1 1 1 -24 10 15 o 62.27236 11.57515 52.70662       17.99555 50.43247      20.98223 59.03284       34.99562 59.71206 13.38130 64.83266 18.89120 -5.120609      23.15030 
1 1 1 -24 10 16 o 49.93539 11.51212 34.79511       18.32970 45.39717      21.13095 2.570742       36.83971 56.59708 13.95406 43.27370 18.31392 13.32338       23.02424 
1 1 1 -24 10 17 o 169.4778 5.136548 381.1930       22.37325 365.6789      27.51830 411.4458       38.42754 164.5715 6.209885 174.3840 8.183755 -9.812408      10.27310 
1 1 1 -24 10 18 o 42.15814 11.65811 14.14221       19.83634 25.74275      24.60429 -7.399992      33.52869 45.88366 16.09881 38.43262 16.86635 7.451038       23.31621 
1 1 1 -24 10 19 o 137.5806 6.570521 272.8202       22.81690 327.6169      29.72645 194.2422       35.59721 155.6630 7.092089 119.4981 11.06297 36.16492       13.14104 
1 1 1 -24 10 20 o 111.3850 7.197373 172.7952       20.99813 208.0205      28.82941 132.9924       30.64540 123.9205 8.639912 98.84954 11.51350 25.07094       14.39475 
1 1 1 -24 10 21 o 19.82907 10.04668 -108.3738      20.20768 -124.0461     30.41589 -95.98969      27.03745 ?        ?        19.82907 10.04668 ?              ?        
1 1 1 -24 10 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 23 o 71.39357 12.88159 70.37257       25.88974 108.9470      39.13847 40.36167       34.52182 87.11661 17.29484 55.67054 19.09529 31.44607       25.76318 
1 1 1 -24 10 24 o 36.82180 17.92016 -93.87224      56.82886 -93.87224     56.82886 0.000000       0.000000 36.82180 17.92016 ?        ?        ?              ?        
1 1 1 -24 10 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 26 o 55.14211 14.84079 34.84559       29.39288 39.02778      49.95884 32.63157       36.34978 58.25620 22.48150 52.02803 19.37983 6.228165       29.68157 
1 1 1 -24 10 27 o 101.3993 9.885216 139.2553       26.12915 181.0939      44.28947 116.9187       32.36086 112.1472 14.66657 90.65142 13.25751 21.49581       19.77043 
1 1 1 -24 10 28 o 46.29233 13.28651 20.08624       25.07156 16.96905      42.57188 21.74146       31.02190 47.68921 19.90324 44.89544 17.60644 2.793770       26.57302 
1 1 1 -24 10 29 o 56.13915 17.50226 4.912914       33.61115 109.2359      98.66373 -8.783442      35.74950 75.09514 30.71523 37.18316 16.78959 37.91198       35.00451 
1 1 1 -24 10 30 o 47.27499 15.90203 -7.405717      31.57952 45.70446      101.2239 -13.13227      33.23846 60.39973 27.65197 34.15025 15.71200 26.24947       31.80406 
1 1 1 -24 10 31 o 55.55980 14.86320 63.77085       34.26053 -17.97552     82.62852 80.74252       37.64940 46.03818 22.21379 65.08142 19.75364 -19.04324      29.72640 
1 1 1 -24 12 1  o 35.91286 12.09910 -57.49626      31.68124 -47.78843     48.77947 -64.57885      41.66504 39.20601 18.37259 32.61971 15.74805 6.586300       24.19821 
1 1 1 -24 12 2  o 313.9908 5.144528 1342.953       43.45189 1261.749      60.35386 1430.338       62.60864 304.0961 7.370736 323.8856 7.178922 -19.78955      10.28906 
1 1 1 -24 12 3  o 96.98588 9.126575 128.6302       23.81540 132.9137      34.52885 124.7434       32.89093 98.51004 13.01722 95.46172 12.79568 3.048325       18.25315 
1 1 1 -24 12 4  o 239.7949 4.836418 779.4489       31.16821 820.2161      43.60277 736.8527       44.57017 246.2633 6.575535 233.3266 7.094089 12.93666       9.672835 
1 1 1 -24 12 5  o 223.0625 4.834715 670.9601       28.98362 646.3424      39.53878 699.5529       42.61154 218.6677 6.715142 227.4573 6.957352 -8.789551      9.669431 
1 1 1 -24 12 6  o 101.8210 8.255171 138.6015       22.22533 105.9419      29.52593 181.3014       33.76074 88.15188 12.43909 115.4901 10.85635 -27.33821      16.51034 
1 1 1 -24 12 7  o 271.6531 4.518005 996.7629       33.03807 962.9717      46.37333 1031.592       47.08048 266.9697 6.450939 276.3365 6.327311 -9.366882      9.036010 
1 1 1 -24 12 8  o 170.6004 5.302989 395.3139       24.18900 378.4707      35.96862 409.2211       32.68367 167.2150 7.988500 173.9858 6.976435 -6.770828      10.60598 
1 1 1 -24 12 9  f 175.8962 6.818835 418.1347       32.29610 0.000000      0.000000 418.1347       32.29610 ?        ?        175.8962 6.818835 ?              ?        
1 1 1 -24 12 10 o 181.8264 5.015800 449.9221       24.23619 426.4803      36.85044 467.7916       32.17387 177.5584 7.707579 186.0943 6.420764 -8.535919      10.03160 
1 1 1 -24 12 11 o 42.65830 10.49916 9.392522       17.54210 -18.54206     23.33373 45.70349       26.60309 28.31037 13.07504 57.00623 16.43085 -28.69585      20.99832 
1 1 1 -24 12 12 o 238.3960 4.258286 768.0906       27.30690 791.3677      38.16463 743.6743       39.08749 242.1190 5.853947 234.6730 6.185733 7.445969       8.516571 
1 1 1 -24 12 13 o 334.9702 4.553583 1515.980       41.05722 1531.958      57.49160 1499.350       58.65318 336.7888 6.339623 333.1516 6.538321 3.637146       9.107165 
1 1 1 -24 12 14 o 210.2705 4.893961 613.0795       26.98919 721.9813      36.69756 484.7816       39.83175 231.2492 5.893504 189.2918 7.814733 41.95737       9.787923 
1 1 1 -24 12 15 o 538.9698 6.166615 3933.264       89.44408 3874.218      124.0765 3997.146       129.0565 534.8010 8.616162 543.1387 8.824414 -8.337646      12.33323 
1 1 1 -24 12 16 o 343.8997 4.827749 1598.868       44.68594 1656.849      63.30814 1541.297       63.08338 350.1365 6.714888 337.6628 6.938223 12.47369       9.655499 
1 1 1 -24 12 17 o 131.2971 6.600200 243.0323       22.32631 277.2094      29.08460 194.0007       34.83645 143.1469 7.545668 119.4474 10.83113 23.69953       13.20040 
1 1 1 -24 12 18 o 64.50713 11.68846 59.96224       20.75415 73.97676      28.65986 44.50978       30.09426 72.13718 15.23262 56.87709 17.73268 15.26010       23.37692 
1 1 1 -24 12 19 o 24.06595 8.456100 -72.71458      21.12996 -68.85767     30.61534 -76.22301      29.19946 24.96818 12.34854 23.16372 11.55578 1.804455       16.91220 
1 1 1 -24 12 20 o 153.2874 6.433397 321.0106       26.39096 288.3720      38.00691 351.3994       36.67370 145.6286 9.692424 160.9462 8.462346 -15.31754      12.86679 
1 1 1 -24 12 21 o 186.8453 5.936887 462.9848       29.44502 535.3041      46.68624 415.2159       37.94331 198.6431 8.728346 175.0475 8.050000 23.59563       11.87377 
1 1 1 -24 12 22 o 189.0866 6.373174 483.6305       31.88351 595.9959      51.19491 412.4333       40.75134 206.2819 9.216845 171.8913 8.804498 34.39064       12.74635 
1 1 1 -24 12 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 12 24 o 39.09151 17.75167 -14.34686      40.64209 0.000000      0.000000 -14.34686      40.64209 ?        ?        39.09151 17.75167 ?              ?        
1 1 1 -24 12 25 o 79.97831 16.57178 108.8107       34.05694 23.24035      103.3122 119.2432       36.07333 68.12943 29.75989 91.82719 14.58920 -23.69775      33.14357 
1 1 1 -24 12 26 o 62.65694 16.26634 58.13763       31.45444 5.220448      89.43248 65.60758       33.60128 59.99199 26.86557 65.32190 18.34711 -5.329914      32.53268 
1 1 1 -24 12 27 o 80.72081 18.09692 100.8883       36.92677 134.1775      88.43159 93.85782       40.63948 84.62939 30.43533 76.81223 19.58789 7.817154       36.19385 
1 1 1 -24 12 28 o 40.26163 13.58799 -19.66805      31.00075 -125.3261     91.76811 -6.057097      32.93705 44.15139 21.74885 36.37187 16.29483 7.779518       27.17598 
1 1 1 -24 12 29 o 77.08787 14.83985 127.5808       33.11355 19.61969      97.99886 141.4960       35.18291 56.92292 26.46467 97.25281 13.43526 -40.32988      29.67970 
1 1 1 -24 12 30 o 43.26356 14.16150 7.162694       35.29856 -106.9906     101.3969 22.90462       37.65385 43.01731 21.47200 43.50981 18.47012 -0.4924965     28.32300 
1 1 1 -24 14 1  o 201.1733 5.598247 554.9489       30.08673 541.9561      45.17032 565.3099       40.33686 198.8370 8.436702 203.5097 7.360946 -4.672760      11.19649 
1 1 1 -24 14 2  o 39.20656 17.55016 -15.01216      38.12277 0.000000      0.000000 -15.01216      38.12277 ?        ?        39.20656 17.55016 ?              ?        
1 1 1 -24 14 3  o 234.2457 8.122873 741.8833       51.23476 0.000000      0.000000 741.8833       51.23476 ?        ?        234.2457 8.122873 ?              ?        
1 1 1 -24 14 4  o 197.0334 6.040637 542.9905       31.93263 502.8130      45.81085 580.9615       44.53528 189.5702 8.974594 204.4965 8.087883 -14.92632      12.08127 
1 1 1 -24 14 5  o 49.70948 12.88901 19.80766       25.38680 -14.48788     36.46117 52.07841       35.36848 38.26986 17.14483 61.14909 19.24995 -22.87923      25.77801 
1 1 1 -24 14 6  o 163.7309 9.780376 364.5211       43.11910 0.000000      0.000000 364.5211       43.11910 ?        ?        163.7309 9.780376 ?              ?        
1 1 1 -24 14 7  o 251.4156 5.012379 854.9080       33.84004 944.1180      48.65376 771.3112       47.09822 264.1571 6.840230 238.6742 7.328508 25.48283       10.02476 
1 1 1 -24 14 8  o 269.7842 6.854362 984.5546       49.79285 0.000000      0.000000 984.5546       49.79285 ?        ?        269.7842 6.854362 ?              ?        
1 1 1 -24 14 9  o 205.0461 7.151330 568.6946       39.48404 0.000000      0.000000 568.6946       39.48404 ?        ?        205.0461 7.151330 ?              ?        
1 1 1 -24 14 10 o 321.8878 4.640590 1400.237       40.20314 1404.282      56.05462 1395.952       57.69242 322.3854 6.457325 321.3901 6.666576 0.9953003      9.281179 
1 1 1 -24 14 11 o 131.8572 6.045634 241.4852       20.23656 255.1393      25.18806 216.6248       33.98735 137.3950 6.808328 126.3193 9.992268 11.07568       12.09127 
1 1 1 -24 14 12 o 145.3037 5.744285 295.8229       21.00340 317.3552      26.05447 255.8603       35.49475 153.2771 6.312794 137.3303 9.598742 15.94676       11.48857 
1 1 1 -24 14 13 o 141.7004 5.921733 274.7762       21.45922 281.4055      26.66305 262.5855       36.15676 144.2886 6.862689 139.1122 9.652523 5.176361       11.84347 
1 1 1 -24 14 14 o 61.71822 9.959274 55.93786       21.33484 105.0118      27.39152 -19.75073      34.01779 87.80765 11.58512 35.62878 16.20289 52.17887       19.91855 
1 1 1 -24 14 15 o 108.6573 10.24303 160.5128       29.96888 160.5128      29.96888 0.000000       0.000000 108.6573 10.24303 ?        ?        ?              ?        
1 1 1 -24 14 16 o 90.97873 10.00957 141.2264       24.69882 267.0826      33.94227 -0.4151562     36.00800 140.2662 8.986788 41.69125 17.88863 98.57495       20.01913 
1 1 1 -24 14 17 o 195.8240 5.468182 511.8049       28.60526 438.8526      38.01317 607.0501       43.43465 179.9573 7.844789 211.6908 7.619930 -31.73351      10.93636 
1 1 1 -24 14 18 o 30.42730 10.31326 -48.89996      24.50712 -78.20638     39.39643 -30.40099      31.30036 29.39468 14.43421 31.45992 14.73454 -2.065243      20.62652 
1 1 1 -24 14 19 o 33.14475 11.07383 -36.74291      24.97048 -43.93070     41.50068 -32.66406      31.26269 35.37048 16.69055 30.91903 14.55830 4.451447       22.14765 
1 1 1 -24 14 20 o 118.0146 9.999388 201.4319       30.76994 203.4333      50.07199 200.2175       39.00330 117.4184 15.83709 118.6108 12.21220 -1.192375      19.99878 
1 1 1 -24 14 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 14 22 f 69.75780 20.27700 15.21281       39.04930 -820.3977     154.3681 72.33897       40.36203 ?        ?        69.75780 20.27700 ?              ?        
1 1 1 -24 14 23 o 43.13953 14.45955 -17.01639      31.33449 -294.5700     125.3291 1.489973       32.36227 46.78239 23.42862 39.49669 16.95327 7.285702       28.91909 
1 1 1 -24 14 24 o 58.17517 16.79478 39.25597       29.58764 -0.7713585    104.0457 42.77767       30.86180 62.26019 28.32285 54.09016 18.05755 8.170029       33.58957 
1 1 1 -24 14 25 o 50.61030 17.01517 -29.89854      29.25380 54.40265      109.3667 -36.39487      30.36004 72.17397 31.07593 29.04662 13.86903 43.12735       34.03033 
1 1 1 -24 14 26 o 59.51041 17.83486 22.49686       30.76736 111.5088      99.82941 13.15449       32.34170 77.13200 31.13585 41.88882 17.40365 35.24319       35.66971 
1 1 1 -24 14 27 o 62.43268 16.50710 61.98501       30.06814 33.72429      98.83002 64.86772       31.56444 61.47010 27.82125 63.39525 17.77401 -1.925144      33.01420 
1 1 1 -24 14 28 o 39.07436 13.46210 -21.69387      30.44926 -108.9245     97.86742 -12.34492      32.03944 44.60694 22.06431 33.54179 15.42981 11.06515       26.92421 
1 1 1 -24 14 29 o 38.82634 13.36901 -17.79444      33.53532 -99.14817     100.4229 -7.583461      35.57769 42.66051 21.30551 34.99216 16.15541 7.668343       26.73802 
1 1 1 -24 16 1  o 98.48660 8.138247 134.6144       21.37432 144.2272      32.99001 127.6597       28.06048 101.2928 12.09541 95.68044 10.89152 5.612312       16.27649 
1 1 1 -24 16 2  o 111.5917 7.445986 173.3033       21.90329 175.4446      34.75204 171.8921       28.21232 111.7716 11.54690 111.4118 9.404250 0.3597946      14.89197 
1 1 1 -24 16 3  o 127.1415 7.167255 230.7077       23.15756 193.5147      37.87212 252.9182       29.26633 118.1349 11.90579 136.1481 7.983132 -18.01323      14.33451 
1 1 1 -24 16 4  o 150.6311 15.98245 415.3261       36.12505 318.7872      103.8599 428.6130       38.53094 125.6583 30.90877 175.6039 8.148773 -49.94556      31.96489 
1 1 1 -24 16 5  o 115.8434 13.50311 183.0411       42.12001 0.000000      0.000000 183.0411       42.12001 ?        ?        115.8434 13.50311 ?              ?        
1 1 1 -24 16 6  o 186.0303 10.97617 469.3398       54.98165 0.000000      0.000000 469.3398       54.98165 ?        ?        186.0303 10.97617 ?              ?        
1 1 1 -24 16 7  o ?        ?        -178.1613      47.20398 0.000000      0.000000 -178.1613      47.20398 ?        ?        ?        ?        ?              ?        
1 1 1 -24 16 8  o 32.31238 15.58384 -82.62662      21.82511 -96.26365     25.89425 -49.17356      40.55656 ?        ?        32.31238 15.58384 ?              ?        
1 1 1 -24 16 9  o 192.6812 5.206447 503.5302       26.08488 499.7870      32.82143 509.9485       42.97804 191.9566 6.349961 193.4058 8.252657 -1.449158      10.41289 
1 1 1 -24 16 10 o 158.6307 6.170590 337.6455       24.19430 331.2982      28.83545 352.7415       44.47001 156.4231 6.846089 160.8384 10.26819 -4.415314      12.34118 
1 1 1 -24 16 11 o 276.6988 4.987044 1036.918       36.86615 1041.036      49.21764 1031.653       55.64528 277.4195 6.588711 275.9781 7.488079 1.441406       9.974088 
1 1 1 -24 16 12 o 90.49773 11.78221 144.2880       24.86220 186.5697      30.16432 54.70805       43.90585 117.1527 9.562203 63.84280 21.53708 53.30986       23.56442 
1 1 1 -24 16 13 o 352.5637 7.168263 1682.999       68.05106 1682.999      68.05106 0.000000       0.000000 352.5637 7.168263 ?        ?        ?              ?        
1 1 1 -24 16 14 o 113.3310 9.359005 170.9785       27.95450 149.7428      35.37398 206.2965       45.61938 104.3930 12.58430 122.2690 13.85638 -17.87591      18.71801 
1 1 1 -24 16 15 o 215.8064 5.765210 634.9778       33.40445 705.8978      48.40833 570.5085       46.15429 227.3790 7.906539 204.2338 8.392688 23.14517       11.53042 
1 1 1 -24 16 16 o 27.18604 13.60751 -146.6721      27.37176 -103.5882     42.01555 -178.4400      36.07829 27.18604 13.60751 ?        ?        ?              ?        
1 1 1 -24 16 17 o 25.55197 12.78337 -173.1842      29.10803 -293.4814     47.42420 -100.4727      36.87001 ?        ?        25.55197 12.78337 ?              ?        
1 1 1 -24 16 18 o 294.4237 13.58625 1196.807       103.4951 1660.815      152.4108 799.7651       140.9845 348.4950 16.24186 240.3524 21.78410 108.1426       27.17250 
1 1 1 -24 16 19 o 146.7712 18.74570 284.5008       44.10743 354.4789      141.8952 277.0160       46.40637 151.0672 35.48639 142.4752 12.09637 8.591980       37.49141 
1 1 1 -24 16 20 o 44.55856 14.69441 -7.701303      35.07920 -221.8295     120.8783 11.99044       36.65671 45.98441 23.02605 43.13271 18.26209 2.851707       29.38882 
1 1 1 -24 16 21 o 153.1597 15.77422 378.8490       32.82854 319.8710      111.0968 384.4915       34.36304 138.4181 30.61917 167.9014 7.600707 -29.48329      31.54844 
1 1 1 -24 16 22 o 48.12460 15.95270 -24.15219      26.51339 51.10739      92.90197 -30.82546      27.66390 68.08099 28.95951 28.16820 13.39035 39.91278       31.90540 
1 1 1 -24 16 23 o 42.67773 14.59629 -17.68424      27.02582 -78.51357     99.32449 -12.82057      28.08548 52.81403 25.18079 32.54143 14.76937 20.27260       29.19258 
1 1 1 -24 16 24 o 53.48435 16.58029 8.984682       30.10177 70.13839      88.36002 0.9555026      32.01695 68.86951 28.70267 38.09919 16.60667 30.77032       33.16059 
1 1 1 -24 16 25 o 67.44550 15.64605 84.06091       32.66508 0.2073877     93.38569 95.75072       34.86769 56.86498 26.22579 78.02602 17.07054 -21.16103      31.29210 
1 1 1 -24 16 26 o 49.50471 16.38325 -6.799239      32.82380 70.20731      99.07441 -16.29384      34.78852 64.56887 28.63527 34.44055 15.92686 30.12832       32.76650 
1 1 1 -24 16 27 o 59.46669 17.52939 53.90594       34.99844 119.4200      95.40405 43.71841       37.62130 67.70087 29.08524 51.23252 19.57466 16.46835       35.05878 
1 1 1 -24 16 28 o 46.76609 15.55067 16.52887       35.26149 71.61404      97.79792 8.297781       37.80428 54.76061 25.77352 38.77156 17.40744 15.98904       31.10134 
1 1 1 -24 18 1  o 64.99561 10.25007 63.63315       17.17248 68.58544      27.45105 60.44913       22.01120 66.54871 15.59203 63.44251 13.30955 3.106205       20.50013 
1 1 1 -24 18 2  o 31.01652 9.602132 -11.31790      17.46710 -52.67215     28.82262 12.68536       21.95880 25.17824 12.36017 36.85480 14.69795 -11.67656      19.20426 
1 1 1 -24 18 3  o 121.6116 5.350387 195.2684       16.98444 138.5387      22.00569 278.8570       26.71180 100.3921 8.140514 142.8310 6.945400 -42.43887      10.70077 
1 1 1 -24 18 4  o 87.78946 7.087085 102.0344       16.23773 73.58079      20.79975 146.4351       25.98271 72.67307 10.62921 102.9059 9.376937 -30.23278      14.17417 
1 1 1 -24 18 5  o 155.5172 4.531938 311.6098       17.70192 282.4389      21.07739 381.4421       32.61145 144.1453 5.430413 166.8891 7.257028 -22.74379      9.063875 
1 1 1 -24 18 6  o 104.9480 7.201994 146.9394       17.78094 141.4531      20.47590 163.7632       35.85642 101.7530 7.473298 108.1430 12.31360 -6.390007      14.40399 
1 1 1 -24 18 7  o 52.81107 10.59927 45.00611       18.12646 62.87856      21.09639 -5.404815      35.43060 66.32263 12.26483 39.29952 17.29024 27.02311       21.19855 
1 1 1 -24 18 8  o 85.24030 10.40540 102.8825       21.59016 97.36782      25.84982 115.6034       39.26029 83.22851 11.53459 87.25208 17.32173 -4.023575      20.81079 
1 1 1 -24 18 9  o 226.8827 5.594184 721.3160       32.94027 745.9630      41.85249 681.1948       53.39809 232.9674 6.671794 220.7980 8.981467 12.16948       11.18837 
1 1 1 -24 18 10 o ?        ?        -215.2136      29.19069 -156.9595     34.35730 -366.3982      55.34897 ?        ?        ?        ?        ?              ?        
1 1 1 -24 18 11 o 362.5020 7.929013 1786.005       77.39499 1786.005      77.39499 0.000000       0.000000 362.5020 7.929013 ?        ?        ?              ?        
1 1 1 -24 18 12 o 235.1557 6.576311 768.1340       40.77264 880.5650      55.33699 634.6079       60.30528 254.6852 8.069161 215.6261 10.38653 39.05913       13.15262 
1 1 1 -24 18 13 o 295.9028 6.138175 1196.705       48.57112 1225.269      65.45184 1161.696       72.46167 300.0757 8.100424 291.7299 9.224526 8.345795       12.27635 
1 1 1 -24 18 14 o 52.91821 25.69684 -275.9264      76.15958 -129.6053     115.1455 -389.7209      101.5440 52.91821 25.69684 ?        ?        ?              ?        
1 1 1 -24 18 15 o 34.13469 12.75716 -106.8688      31.40961 -172.4709     112.4430 -101.3167      32.71177 45.96294 22.88898 22.30643 11.27277 23.65650       25.51433 
1 1 1 -24 18 16 o 38.34033 13.94632 -77.75983      29.47748 -82.11846     100.2136 -77.34699      30.84192 52.90959 25.24484 23.77107 11.86158 29.13852       27.89263 
1 1 1 -24 18 17 o 52.68517 16.61242 -30.59462      28.07347 80.23262      92.57104 -41.81966      29.46089 77.61765 30.42095 27.75269 13.35874 49.86496       33.22484 
1 1 1 -24 18 18 o 63.01942 17.55261 15.31184       26.32523 137.5707      93.40025 4.761237       27.43762 88.65519 31.34246 37.38364 15.81223 51.27155       35.10522 
1 1 1 -24 18 19 o 79.87822 17.20097 93.13158       29.72249 117.3302      91.31197 90.26380       31.43440 82.00939 30.68266 77.74705 15.55852 4.262344       34.40193 
1 1 1 -24 18 20 o 46.83244 14.18531 14.74383       27.91211 -110.1205     87.07270 29.04431       29.46715 45.96075 22.32467 47.70413 17.50716 -1.743382      28.37061 
1 1 1 -24 18 21 o 58.96297 16.61018 -6.866096      27.16655 139.7033      85.47899 -23.33395      28.65208 87.60416 30.04762 30.32177 14.16800 57.28240       33.22036 
1 1 1 -24 18 22 o 129.0025 12.11036 199.5371       31.01556 344.9142      84.81237 177.0939       33.32376 146.2067 21.54311 111.7982 11.06970 34.40853       24.22073 
1 1 1 -24 18 23 f 60.67226 16.04332 58.65081       32.34741 40.01257      74.53707 62.97558       35.90472 59.23970 25.58030 62.10481 19.37011 -2.865105      32.08665 
1 1 1 -24 18 24 o 76.31213 17.64893 98.23513       33.45414 142.6817      90.45657 91.19249       36.00716 78.46846 30.25952 74.15580 18.17418 4.312660       35.29786 
1 1 1 -24 18 25 o 79.41524 16.65450 125.8716       34.06417 130.1466      87.89000 125.1159       36.95249 71.31680 29.05911 87.51367 16.28057 -16.19688      33.30899 
1 1 1 -24 18 26 o 43.06407 14.42363 5.633171       34.53883 -2.179069     92.02165 6.914186       37.26314 47.64920 23.09996 38.47895 17.27880 9.170250       28.84727 
1 1 1 -24 20 1  o 48.32235 10.41868 40.77439       16.45205 11.42536      30.14227 53.22787       19.63470 38.32501 16.40343 58.31968 12.85001 -19.99467      20.83736 
1 1 1 -24 20 2  o 127.5312 4.312558 222.5295       14.75297 247.9367      21.98345 201.7109       19.89956 134.1095 6.087698 120.9529 6.110037 13.15656       8.625115 
1 1 1 -24 20 3  o 45.37804 8.764214 30.88410       10.92599 29.62798      14.43360 32.56986       16.72086 44.42792 11.84787 46.32815 12.91796 -1.900234      17.52843 
1 1 1 -24 20 4  o 155.3842 3.825078 328.2179       15.65166 323.0675      20.06809 336.2159       25.00788 154.0487 4.837985 156.7197 5.926112 -2.670975      7.650157 
1 1 1 -24 20 5  o 118.9271 4.993197 191.0300       15.41400 181.7997      19.18318 207.8474       25.89360 115.2439 6.181860 122.6102 7.843003 -7.366318      9.986395 
1 1 1 -24 20 6  o 138.7889 5.160851 262.6154       18.25996 257.7679      22.38412 272.2578       31.56993 137.3504 6.052386 140.2273 8.360989 -2.876862      10.32170 
1 1 1 -24 20 7  o 122.1304 6.195305 209.7725       19.81190 225.3586      25.83739 187.5309       30.86467 128.1567 7.487278 116.1041 9.872583 12.05260       12.39061 
1 1 1 -24 20 8  o 253.6093 15.78075 931.2234       107.7646 931.2234      107.7646 0.000000       0.000000 253.6093 15.78075 ?        ?        ?              ?        
1 1 1 -24 20 9  o 95.41467 17.43278 122.3543       34.03777 197.2047      92.52441 110.6390       36.60471 104.6973 30.77741 86.13206 16.38162 18.56521       34.86555 
1 1 1 -24 20 10 o 79.73911 16.67427 97.75780       30.99764 102.7180      82.84255 96.95028       33.42576 78.85989 29.27995 80.61832 15.96276 -1.758430      33.34855 
1 1 1 -24 20 11 o 260.7209 9.540603 958.8883       65.07559 1002.563      106.0889 932.5416       82.39842 263.8665 14.93146 257.5754 11.88040 6.291016       19.08121 
1 1 1 -24 20 12 o 49.45279 16.01291 -0.2451531     28.77526 10.61194      94.17825 -1.363081      30.22043 61.98920 27.67809 36.91639 16.11138 25.07281       32.02582 
1 1 1 -24 20 13 o 52.79566 14.69055 35.05846       26.89777 -70.17533     88.30220 45.82152       28.23981 50.11065 23.85060 55.48068 17.15803 -5.370037      29.38111 
1 1 1 -24 20 14 o 55.59405 16.69321 11.35553       25.84629 81.05608      88.03872 4.781540       27.03771 74.11780 29.47043 37.07030 15.68906 37.04750       33.38642 
1 1 1 -24 20 15 o 54.81180 15.53923 35.47415       26.65618 -21.78845     89.46622 41.05271       27.92444 56.52069 25.92029 53.10291 17.14670 3.417778       31.07846 
1 1 1 -24 20 16 o 52.45176 14.39486 35.31125       25.23940 -40.40849     78.13357 44.13295       26.66915 50.38034 23.49203 54.52318 16.64249 -4.142841      28.78972 
1 1 1 -24 20 17 o 72.79217 16.53086 74.13766       27.16037 104.0737      81.06952 70.35275       28.82627 77.54671 28.93076 68.03763 16.00276 9.509079       33.06172 
1 1 1 -24 20 18 o 73.69170 14.07533 101.8422       26.11600 29.36536      76.04834 111.5324       27.80710 58.83603 25.62114 88.54736 11.66263 -29.71132      28.15067 
1 1 1 -24 20 19 o 56.56868 16.23337 25.55537       27.61688 91.39871      76.17583 15.59157       29.63287 71.70351 27.73548 41.43385 16.87698 30.26966       32.46674 
1 1 1 -24 20 20 o 46.50642 14.26547 15.42020       30.55437 -46.45902     73.98438 28.14423       33.54902 45.90053 21.84256 47.11231 18.35529 -1.211777      28.53094 
1 1 1 -24 20 21 o 76.75103 13.87058 125.0514       30.97959 13.70534      80.07903 144.6488       33.59542 54.20778 24.73228 99.29428 12.56529 -45.08651      27.74116 
1 1 1 -24 20 22 o 48.18257 14.72420 26.55611       30.65460 -23.92570     82.91066 34.54974       32.99248 48.36844 23.04604 47.99670 18.33270 0.3717422      29.44839 
1 1 1 -24 20 23 o 41.36911 13.47261 2.906624       31.85386 -97.82788     86.12740 18.86913       34.28489 40.97141 20.34129 41.76682 17.67135 -0.7954178     26.94522 
1 1 1 -24 20 24 o 46.67923 15.08896 25.92811       32.24768 40.26674      92.46608 23.94265       34.40798 51.28295 24.40799 42.07551 17.74704 9.207443       30.17793 
1 1 1 -24 22 2  o 74.91772 19.78387 167.3933       54.16928 142.9767      75.25188 193.6513       78.03791 68.92551 27.29667 80.90994 28.64434 -11.98444      39.56775 
1 1 1 -24 22 3  o 55.78126 17.16470 73.07509       49.05031 52.50170      72.68893 90.27541       66.46356 52.07770 23.68400 59.48482 24.85109 -7.407124      34.32941 
1 1 1 -24 22 4  o 55.05537 17.39747 55.81868       53.13962 37.07559      75.77411 73.95745       74.54257 52.02769 23.85786 58.08306 25.32766 -6.055363      34.79494 
1 1 1 -24 22 5  o 63.25583 15.00020 49.12648       15.50186 122.8260      77.90051 46.08770       15.81822 71.20901 27.90723 55.30264 11.00957 15.90638       30.00041 
1 1 1 -24 22 6  o 93.81957 14.97354 118.0705       17.24862 211.0116      81.93834 113.7610       17.64399 97.27345 29.05594 90.36569 7.251197 6.907761       29.94708 
1 1 1 -24 22 7  o 69.54760 15.59479 68.50764       20.71053 117.5306      80.92235 65.07155       21.42405 73.46719 28.53942 65.62801 12.58139 7.839188       31.18957 
1 1 1 -24 22 8  o 96.08440 14.73442 177.7532       22.99450 126.9094      77.56081 182.6527       24.07695 77.62545 28.41608 114.5434 7.806355 -36.91791      29.46885 
1 1 1 -24 22 9  o 43.80415 14.37564 -15.49739      26.54802 40.26865      72.62017 -24.09986      28.52226 58.12533 25.17388 29.48296 13.88926 28.64237       28.75128 
1 1 1 -24 22 10 o 51.44337 15.32596 24.91378       28.96818 46.13913      69.25276 20.41232       31.89238 59.22828 25.09031 43.65847 17.60729 15.56981       30.65192 
1 1 1 -24 22 11 o 104.6824 14.44158 196.5549       27.82231 152.7168      71.81064 204.2977       30.17947 88.71740 27.34840 120.6475 9.289879 -31.93007      28.88316 
1 1 1 -24 22 12 o 73.44824 15.93908 70.42413       25.73075 141.4588      71.17523 59.74482       27.59723 85.33320 27.35623 61.56328 16.36624 23.76992       31.87816 
1 1 1 -24 22 13 o 87.48436 15.16864 127.9214       26.25545 128.5122      75.98293 127.8414       27.97887 80.29903 28.28219 94.66969 10.97579 -14.37065      30.33728 
1 1 1 -24 22 14 o 68.57118 13.82459 90.32384       27.92553 4.460913      76.96255 103.3423       29.96786 53.20185 24.26281 83.94051 13.25869 -30.73867      27.64918 
1 1 1 -24 22 15 o 40.37662 12.86232 2.080723       26.09931 -123.9338     79.67864 17.22631       27.62325 40.02960 19.81945 40.72364 16.39957 -0.6940384     25.72463 
1 1 1 -24 22 16 o 62.56979 16.72621 41.78670       26.41605 134.3602      79.43930 30.27754       28.01004 79.06766 28.78633 46.07192 17.04148 32.99574       33.45242 
1 1 1 -24 22 17 o 63.90173 16.71646 46.20468       26.06822 143.9678      79.00471 34.26062       27.61476 80.28651 28.77860 47.51694 17.01621 32.76958       33.43291 
1 1 1 -24 22 18 o 47.72791 14.79690 21.60593       27.72955 26.32645      75.30240 20.86539       29.82539 53.42830 24.22388 42.02751 16.99989 11.40079       29.59379 
1 1 1 -24 22 19 o 82.73635 13.63435 159.5083       32.30667 38.16176      77.68008 184.8870       35.52474 54.11187 24.56066 111.3608 11.84718 -57.24897      27.26870 
1 1 1 -24 22 20 o 44.04381 14.16050 17.04703       30.70557 -13.10840     81.80624 21.99213       33.12770 46.21247 22.24843 41.87514 17.52386 4.337330       28.32099 
1 1 1 -24 22 21 o 46.30260 14.98839 24.39114       30.72624 43.87247      92.07991 21.95009       32.59447 51.56450 24.48818 41.04070 17.28977 10.52379       29.97678 
1 1 1 -24 24 7  o 48.56444 14.63751 19.72001       15.51039 118.5668      73.78645 15.15038       15.86486 63.72034 26.36519 33.40854 12.72414 30.31181       29.27502 
1 1 1 -24 24 8  o 35.25260 11.87977 0.7674501      18.75615 -44.91629     74.12959 3.892078       19.38697 40.56872 19.89662 29.93648 12.98617 10.63223       23.75954 
1 1 1 -24 24 9  o 56.67027 13.98649 61.22502       22.77481 61.75032      66.02930 61.15409       24.26383 53.49817 23.56814 59.84237 15.06755 -6.344208      27.97299 
1 1 1 -24 24 10 o 60.49464 13.40339 74.45185       22.80795 50.45482      66.31342 77.67147       24.28985 51.73434 23.15317 69.25493 13.51053 -17.52059      26.80678 
1 1 1 -24 24 11 o 56.03323 13.70171 59.85231       21.43267 37.24617      79.41483 61.62822       22.25861 50.74140 23.66825 61.32507 13.81163 -10.58368      27.40342 
1 1 1 -24 24 12 o 58.01230 16.44496 40.53937       23.62477 164.2293      82.96825 29.62579       24.64498 73.13338 28.75738 42.89123 15.96120 30.24215       32.88992 
1 1 1 -24 24 13 o 42.74585 14.41577 -5.374462      24.18119 81.15730      81.37843 -13.75473      25.32506 57.03633 25.57859 28.45536 13.30388 28.58097       28.83154 
1 1 1 -24 24 14 o 32.30398 11.58400 -36.52065      23.86264 -68.08884     79.90170 -33.42931      25.00374 40.17939 19.88533 24.42857 11.88824 15.75082       23.16801 
1 1 1 -24 24 15 o 46.39014 13.56220 36.40952       25.70811 -28.45565     81.18774 43.63817       27.10275 43.43618 21.20033 49.34410 16.91978 -5.907921      27.12440 
1 1 1 -24 24 16 o 43.61708 14.29700 15.98097       27.58798 30.50534      86.83828 14.35047       29.09532 49.61246 23.62410 37.62170 16.10959 11.99076       28.59400 
1 1 1 -24 24 17 o 45.34698 14.98764 11.45876       28.71889 84.09283      86.22193 2.394951       30.45810 56.03388 25.60343 34.66007 15.58788 21.37381       29.97528 
1 1 1 -23 1  1  o 288.4423 4.301090 1122.167       33.39681 1148.554      47.90384 1097.214       46.58425 291.7381 6.098090 285.1466 6.067190 6.591522       8.602180 
1 1 1 -23 1  2  o 213.4217 4.316113 614.5246       24.78826 597.9151      35.34615 630.5995       34.77269 210.5754 6.233775 216.2680 5.971213 -5.692657      8.632227 
1 1 1 -23 1  3  o 137.3018 5.437923 256.1341       19.83429 307.2446      28.24835 206.4349       27.85562 150.9335 6.950629 123.6701 8.364973 27.26331       10.87585 
1 1 1 -23 1  4  o 84.99973 7.961971 98.66015       18.00569 114.4142      25.22328 82.29027       25.71151 92.02097 10.17961 77.97848 12.24530 14.04249       15.92394 
1 1 1 -23 1  5  o 317.9332 4.276768 1360.673       36.57350 1323.359      50.32970 1402.425       53.23824 313.3265 5.965458 322.5399 6.129950 -9.213379      8.553535 
1 1 1 -23 1  6  o 112.7618 6.120194 172.0626       18.53792 182.0892      25.89550 161.5229       26.54990 116.1523 8.279667 109.3713 9.015221 6.781090       12.24039 
1 1 1 -23 1  7  o 190.4364 5.924785 488.9378       30.38127 488.9378      30.38127 0.000000       0.000000 190.4364 5.924785 ?        ?        ?              ?        
1 1 1 -23 1  8  o 136.2324 4.992704 250.9243       18.26233 258.8919      25.14651 242.0320       26.56556 138.5382 6.741005 133.9266 7.366630 4.611664       9.985409 
1 1 1 -23 1  9  o 289.1460 3.997778 1125.562       31.09842 1164.066      45.15158 1090.811       42.89476 293.8404 5.706608 284.4516 5.600316 9.388763       7.995556 
1 1 1 -23 1  10 o 96.45538 6.449723 125.4706       16.73322 133.7724      24.20977 117.8769       23.15420 99.50791 9.035447 93.40285 9.206324 6.105064       12.89945 
1 1 1 -23 1  11 o 567.6637 6.243128 4346.490       95.31528 4475.309      138.9115 4231.879       131.0262 575.5720 8.963036 559.7554 8.693133 15.81659       12.48626 
1 1 1 -23 1  12 o 142.9877 4.674020 275.0073       17.97064 291.8886      26.24916 260.1149       24.65439 147.1057 6.626779 138.8698 6.593305 8.235962       9.348041 
1 1 1 -23 1  13 o 492.7713 5.529520 3277.091       73.35504 3306.190      104.9690 3249.316       102.5526 494.8996 7.876994 490.6430 7.762430 4.256592       11.05904 
1 1 1 -23 1  14 o 212.8850 4.174637 611.4318       23.88724 604.6015      34.73465 617.5608       32.90303 211.7461 6.092059 214.0240 5.709395 -2.277817      8.349274 
1 1 1 -23 1  15 o 379.6505 4.684581 1942.033       47.86093 1885.187      66.30643 2003.868       69.15453 373.8603 6.586625 385.4407 6.663151 -11.58038      9.369163 
1 1 1 -23 1  16 o 159.7411 5.497083 342.2547       23.48655 402.8488      34.59047 290.4238       31.99156 172.7955 7.434310 146.6868 8.099550 26.10864       10.99417 
1 1 1 -23 1  17 o 299.3767 6.379624 1208.421       51.42763 0.000000      0.000000 1208.421       51.42763 ?        ?        299.3767 6.379624 ?              ?        
1 1 1 -23 1  18 f 117.1664 7.468367 184.5931       23.19830 180.3646      30.10908 190.7701       36.39120 115.5593 9.676294 118.7735 11.37872 -3.214127      14.93673 
1 1 1 -23 1  19 o 390.6085 4.890792 2054.817       51.33133 2017.130      70.06813 2098.473       75.41311 386.7655 6.728053 394.4514 7.100190 -7.685913      9.781585 
1 1 1 -23 1  20 o 152.2495 5.457959 315.5285       22.12028 335.4390      29.73560 290.8580       33.09971 157.7042 7.002450 146.7948 8.373944 10.90936       10.91592 
1 1 1 -23 1  21 o 227.3650 4.477245 697.3528       27.40432 713.0959      38.70261 681.5232       38.80872 229.9441 6.250785 224.7859 6.411754 5.158203       8.954491 
1 1 1 -23 1  22 o 387.4035 4.886881 2021.699       50.87660 1952.882      69.37655 2101.769       74.83372 380.3109 6.774706 394.4961 7.044842 -14.18515      9.773763 
1 1 1 -23 1  23 o 48.97346 12.06902 29.55992       19.65828 34.61112      27.27053 24.09563       28.36370 51.29090 16.96764 46.65602 17.16812 4.634876       24.13804 
1 1 1 -23 1  24 o 113.1313 6.747041 174.6719       20.40038 151.6779      29.04089 197.0726       28.66378 105.6748 10.20599 120.5878 8.827683 -14.91305      13.49408 
1 1 1 -23 1  25 o 23.35138 8.252154 -82.86326      21.51613 -97.39034     31.01400 -69.38382      29.87478 22.28350 11.22571 24.41927 12.09858 -2.135775      16.50431 
1 1 1 -23 1  26 o 135.1116 8.122889 250.7372       29.31171 216.2458      41.71299 284.3820       41.19785 125.7359 12.32051 144.4873 10.58916 -18.75137      16.24578 
1 1 1 -23 1  27 o 93.32001 13.56806 140.7572       32.87970 148.4962      48.53312 134.1921       44.70077 95.45155 19.54090 91.18845 18.82877 4.263100       27.13613 
1 1 1 -23 1  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 1  29 o 130.9113 8.177115 237.2293       28.80957 247.4377      41.44041 227.6804       40.07943 133.6500 11.51521 128.1725 11.61296 5.477463       16.35423 
1 1 1 -23 1  30 o 91.96819 10.67691 122.6485       25.52518 99.02819      34.92440 149.7341       37.39859 81.27663 16.52110 102.6597 13.52919 -21.38311      21.35382 
1 1 1 -23 1  31 o 177.6378 6.276381 439.2985       29.98457 412.4049      42.16355 466.8159       42.64981 171.9845 9.104679 183.2911 8.641563 -11.30667      12.55276 
1 1 1 -23 1  32 o 87.11319 12.50094 124.1544       28.65902 96.31359      41.48935 149.5611       39.63420 74.87862 20.13909 99.34776 14.81592 -24.46914      25.00189 
1 1 1 -23 1  33 o 45.90736 13.07746 15.34811       30.32280 -50.16626     45.77039 66.59514       40.48095 32.96638 16.05224 58.84835 20.64958 -25.88197      26.15492 
1 1 1 -23 3  1  o 375.7695 4.815586 1906.291       48.71841 1889.826      68.22128 1923.426       69.59576 374.1201 6.772133 377.4190 6.848188 -3.298889      9.631172 
1 1 1 -23 3  2  o 238.1120 4.290142 763.9915       27.45655 775.9009      40.19143 753.5698       37.59712 239.8394 6.223427 236.3847 5.906795 3.454712       8.580284 
1 1 1 -23 3  3  o 97.03914 7.332158 127.2054       19.11231 139.5957      27.43370 115.5204       26.64147 101.6405 10.02384 92.43773 10.70349 9.202812       14.66432 
1 1 1 -23 3  4  o 285.5804 4.208292 1098.530       32.34378 1073.939      44.86486 1125.140       46.67059 282.2584 5.903045 288.9025 5.999411 -6.644165      8.416583 
1 1 1 -23 3  5  o 139.9931 5.066078 265.2359       19.01517 291.3020      26.75772 238.6419       27.02735 146.9792 6.760982 133.0069 7.546504 13.97231       10.13216 
1 1 1 -23 3  6  o 333.7301 4.360390 1499.818       39.16182 1561.487      56.46300 1442.651       54.36302 340.3338 6.161343 327.1264 6.171698 13.20746       8.720779 
1 1 1 -23 3  7  o 384.6929 4.687005 1995.529       48.54861 1979.719      68.30045 2011.675       69.02144 383.1537 6.620140 386.2321 6.636701 -3.078430      9.374009 
1 1 1 -23 3  8  o 290.4449 4.071128 1136.993       31.83231 1125.310      44.47264 1149.267       45.58327 288.9180 5.716562 291.9718 5.798039 -3.053833      8.142257 
1 1 1 -23 3  9  o 173.6378 4.229026 405.0861       19.71921 449.6373      28.76532 365.5883       27.08482 182.6183 5.849808 164.6574 6.108878 17.96091       8.458053 
1 1 1 -23 3  10 o 136.1372 4.766388 250.1332       17.42519 274.3139      24.86955 226.8143       24.42241 142.6137 6.476244 129.6607 6.995148 12.95305       9.532777 
1 1 1 -23 3  11 o 355.5397 4.385290 1704.559       41.95995 1707.902      60.36843 1701.435       58.36303 355.8676 6.299963 355.2117 6.101929 0.6559143      8.770580 
1 1 1 -23 3  12 o 60.96398 9.981680 49.09455       17.31845 82.00484      26.06159 23.06946       23.17561 77.78896 12.44227 44.13900 15.61172 33.64996       19.96336 
1 1 1 -23 3  13 o 48.79171 11.27863 29.82652       17.18229 40.59884      26.01015 21.48570       22.88718 54.38720 16.39886 43.19622 15.48894 11.19098       22.55726 
1 1 1 -23 3  14 o 530.5603 5.954753 3797.649       84.99816 3878.424      123.2590 3724.411       117.3684 535.9124 8.541643 525.2083 8.299196 10.70404       11.90951 
1 1 1 -23 3  15 o 489.1244 5.584248 3228.244       73.53317 3262.022      105.2300 3196.011       102.7960 491.6163 7.949317 486.6325 7.844975 4.983826       11.16850 
1 1 1 -23 3  16 o 408.4905 7.028291 2250.613       77.30635 0.000000      0.000000 2250.613       77.30635 ?        ?        408.4905 7.028291 ?              ?        
1 1 1 -23 3  17 o 446.9804 5.304177 2689.099       63.71663 2604.427      86.94504 2787.325       93.64541 439.4146 7.348301 454.5463 7.651120 -15.13171      10.60835 
1 1 1 -23 3  18 o 315.1274 4.451228 1335.754       37.48728 1314.703      49.86467 1363.116       56.84942 312.3027 5.929716 317.9522 6.640194 -5.649536      8.902455 
1 1 1 -23 3  19 o 178.1248 8.660018 428.3122       41.53618 0.000000      0.000000 428.3122       41.53618 ?        ?        178.1248 8.660018 ?              ?        
1 1 1 -23 3  20 o 176.3365 5.292261 411.2667       23.39163 397.7179      28.09776 441.8611       42.22225 171.7588 6.075320 180.9142 8.667328 -9.155411      10.58452 
1 1 1 -23 3  21 o 75.70864 10.30262 73.04253       20.14089 45.72393      25.22766 121.0621       33.44698 57.04161 15.85385 94.37568 13.16174 -37.33407      20.60524 
1 1 1 -23 3  22 f 274.3570 6.175380 1015.881       45.62082 1015.881      45.62082 0.000000       0.000000 274.3570 6.175380 ?        ?        ?              ?        
1 1 1 -23 3  23 o 200.2534 4.651353 541.8041       25.07773 547.5000      35.31390 536.0096       35.61858 201.3218 6.514355 199.1850 6.641049 2.136826       9.302707 
1 1 1 -23 3  24 o 30.31886 10.02613 -28.36067      20.14204 -20.66606     30.57813 -34.25827      26.77042 33.13526 15.18023 27.50246 13.10167 5.632793       20.05226 
1 1 1 -23 3  25 o 26.21632 9.117735 -64.28115      22.33350 -75.68917     34.43884 -56.00154      29.33921 26.65888 13.16820 25.77377 12.61471 0.8851128      18.23547 
1 1 1 -23 3  26 o 125.7474 8.070240 214.7123       26.78403 220.7671      42.55044 210.7388       34.46982 127.0541 12.43747 124.4407 10.28710 2.613350       16.14048 
1 1 1 -23 3  27 o ?        ?        -211.6604      34.65034 -263.8306     52.79730 -172.1888      45.92438 ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  28 o 69.22720 23.27538 67.36013       51.27758 0.000000      0.000000 67.36013       51.27758 ?        ?        69.22720 23.27538 ?              ?        
1 1 1 -23 3  29 f 61.38535 14.35316 55.44400       27.51138 58.03381      40.82125 53.28879       37.23896 62.57040 20.76245 60.20029 19.82357 2.370106       28.70633 
1 1 1 -23 3  30 o 33.91381 11.21619 -31.24346      25.56783 -17.79347     37.26096 -43.21141      35.14820 36.89952 16.84907 30.92810 14.80947 5.971422       22.43238 
1 1 1 -23 3  31 o 68.21451 14.18772 74.44101       28.26332 98.44823      42.23640 54.97358       38.03385 77.44653 20.08440 58.98250 20.04450 18.46403       28.37543 
1 1 1 -23 3  32 o 52.30374 14.09751 41.28624       28.60068 21.50573      43.39811 56.47348       38.02695 46.79132 19.84412 57.81617 20.02923 -11.02485      28.19502 
1 1 1 -23 3  33 o 77.62876 14.54680 121.4202       32.51538 86.09966      48.48711 150.2840       43.83188 63.40993 22.56479 91.84759 18.36487 -28.43765      29.09361 
1 1 1 -23 5  1  o 180.7413 4.709919 441.4021       22.88483 409.9691      32.19213 473.5157       32.53873 174.2157 6.862449 187.2669 6.452917 -13.05127      9.419838 
1 1 1 -23 5  2  o 477.9037 5.582381 3086.900       71.83463 3091.674      101.9590 3082.195       101.2241 478.2653 7.917228 477.5421 7.872066 0.7231750      11.16476 
1 1 1 -23 5  3  o 157.8899 5.050350 336.4644       21.45962 324.0703      30.37730 348.8117       30.31976 154.9799 7.279314 160.8000 7.002551 -5.820129      10.10070 
1 1 1 -23 5  4  o 415.6050 5.034196 2329.748       56.33563 2353.041      79.82025 2306.630       79.52180 417.6772 7.097232 413.5328 7.141556 4.144318       10.06839 
1 1 1 -23 5  5  o 157.7702 4.820371 335.1169       20.45748 323.7664      28.16891 347.7851       29.75904 154.9503 6.751406 160.5900 6.882035 -5.639694      9.640741 
1 1 1 -23 5  6  o 141.4941 5.170861 270.1272       19.59359 270.9106      26.39035 269.1649       29.24861 141.7364 6.914810 141.2517 7.690032 0.4847107      10.34172 
1 1 1 -23 5  7  o 224.9321 4.069198 682.1385       24.59487 684.9437      33.75214 678.9628       35.91315 225.4338 5.560308 224.4304 5.942764 1.003433       8.138395 
1 1 1 -23 5  8  o 256.1422 4.013548 882.9635       27.64986 857.3228      38.01421 911.7672       40.29063 252.2038 5.597716 260.0805 5.753245 -7.876633      8.027096 
1 1 1 -23 5  9  o 209.0465 4.030903 589.0125       22.68681 585.8306      31.79587 592.3123       32.38008 208.4730 5.664185 209.6199 5.736699 -1.146866      8.061806 
1 1 1 -23 5  10 o 118.9346 5.587231 189.9185       17.84578 208.6288      26.30758 173.9698       24.28864 124.3344 7.857898 113.5349 7.944936 10.79945       11.17446 
1 1 1 -23 5  11 o 326.4826 4.233738 1434.275       37.09661 1470.610      55.02352 1403.997       50.22879 330.2502 6.187595 322.7150 5.780297 7.535156       8.467477 
1 1 1 -23 5  12 o 55.23569 10.79603 43.88026       16.96452 29.34057      26.68558 53.74169       21.97702 48.70556 16.78400 61.76582 13.58359 -13.06026      21.59205 
1 1 1 -23 5  13 o 333.6926 4.399144 1496.903       39.30463 1542.142      59.17271 1461.183       52.57981 338.1684 6.498379 329.2168 5.931352 8.951660       8.798288 
1 1 1 -23 5  14 o 152.4746 5.356194 312.8356       21.50940 317.6370      34.30450 309.7251       27.61126 153.4035 8.304866 151.5457 6.766421 1.857712       10.71239 
1 1 1 -23 5  15 o 274.0237 4.271762 1012.261       31.51917 1017.823      44.60228 1006.713       44.54745 274.7763 6.028293 273.2711 6.054046 1.505157       8.543524 
1 1 1 -23 5  16 o 202.7014 4.446482 553.3419       24.23217 543.8433      33.24097 564.1141       35.39975 200.8531 6.146271 204.5497 6.427142 -3.696594      8.892963 
1 1 1 -23 5  17 o 305.8242 4.300528 1259.601       35.20347 1249.971      47.19154 1271.684       52.85969 304.5277 5.755115 307.1206 6.391934 -2.592834      8.601056 
1 1 1 -23 5  18 o 93.11140 8.112576 116.3997       18.78572 115.0257      22.52868 119.5352       34.03341 92.29745 9.064892 93.92536 13.45672 -1.627914      16.22515 
1 1 1 -23 5  19 o 192.0597 5.090856 516.2632       25.11879 575.8533      32.29003 424.9364       39.97428 206.6871 5.801919 177.4324 8.366898 29.25476       10.18171 
1 1 1 -23 5  20 o 460.4418 7.611533 2861.803       94.36919 2861.803      94.36919 0.000000       0.000000 460.4418 7.611533 ?        ?        ?              ?        
1 1 1 -23 5  21 o 140.4919 6.112756 269.9793       22.25163 278.6355      28.14930 255.5602       36.33041 143.6228 7.278818 137.3611 9.822523 6.261658       12.22551 
1 1 1 -23 5  22 o 86.92128 9.923262 112.3563       21.19611 141.0884      27.99748 73.77535       32.44311 101.9808 10.19570 71.86175 17.02740 30.11907       19.84652 
1 1 1 -23 5  23 o 163.8637 5.087741 363.8438       22.33460 354.8353      33.07138 371.3978       30.28414 161.9558 7.583547 165.7716 6.784562 -3.815750      10.17548 
1 1 1 -23 5  24 o 69.63982 10.96551 65.48337       19.79850 90.72327      32.07840 49.95295       25.16289 80.02241 15.44683 59.25724 15.56808 20.76517       21.93102 
1 1 1 -23 5  25 o 168.9101 6.117573 388.1026       27.12279 382.8470      43.34057 391.4859       34.77376 167.8159 9.591317 170.0043 7.596411 -2.188416      12.23515 
1 1 1 -23 5  26 o 145.9228 9.355038 289.8262       36.75801 0.000000      0.000000 289.8262       36.75801 ?        ?        145.9228 9.355038 ?              ?        
1 1 1 -23 5  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  28 o 30.41711 10.62163 -81.12791      30.79084 -82.59475     47.98662 -80.10133      40.14486 32.26531 15.86135 28.56891 14.13131 3.696396       21.24326 
1 1 1 -23 5  29 o 94.00439 11.38236 135.7206       27.03094 96.45348      39.90105 169.0275       36.74833 78.71442 19.03440 109.2943 12.48695 -30.57993      22.76472 
1 1 1 -23 5  30 o 39.53682 12.46329 -11.98430      26.73692 11.15383      42.03245 -27.70932      34.65104 45.90611 19.50198 33.16752 15.52439 12.73859       24.92657 
1 1 1 -23 5  31 o 119.2421 10.32638 224.5849       29.72383 157.9207      46.31700 271.2644       38.75762 100.0683 17.84375 138.4160 10.39890 -38.34769      20.65276 
1 1 1 -23 5  32 f 38.88984 12.50301 -4.057348      28.10788 -15.84242     46.87851 2.557606       35.12135 39.32865 18.29109 38.45102 17.05100 0.8776283      25.00601 
1 1 1 -23 5  33 o 40.00853 12.86429 -11.38748      31.09813 46.76748      48.78908 -51.18233      40.35921 50.08578 21.12964 29.93128 14.67985 20.15450       25.72858 
1 1 1 -23 7  1  o 231.3798 4.470961 720.9452       27.77446 750.1923      41.17462 696.5259       37.62322 235.6530 6.488931 227.1066 6.152377 8.546478       8.941922 
1 1 1 -23 7  2  o 176.7004 4.808259 422.2877       22.84128 397.6985      32.45893 446.4084       32.14820 171.5789 7.025655 181.8219 6.566398 -10.24294      9.616518 
1 1 1 -23 7  3  o 177.3571 4.657277 424.0791       22.22623 444.4285      32.09202 405.3203       30.81229 181.4418 6.568653 173.2723 6.604066 8.169449       9.314553 
1 1 1 -23 7  4  o 348.3581 4.577767 1636.741       42.93850 1655.624      60.98824 1618.183       60.46359 350.3511 6.464861 346.3651 6.483006 3.985962       9.155534 
1 1 1 -23 7  5  o 447.6883 5.271014 2703.402       63.52826 2683.015      88.82555 2724.750       90.89526 445.9677 7.396923 449.4089 7.511318 -3.441254      10.54203 
1 1 1 -23 7  6  o 256.0604 4.146168 883.5740       28.51880 880.0214      38.96792 887.6715       41.84941 255.5169 5.663752 256.6039 6.056793 -1.086990      8.292336 
1 1 1 -23 7  7  o 160.2918 4.690161 340.6971       19.98069 313.1262      25.86959 381.4629       31.45661 152.3994 6.304100 168.1843 6.946132 -15.78493      9.380322 
1 1 1 -23 7  8  o 274.0457 4.106797 1012.343       30.30088 1016.611      42.56799 1007.958       43.14161 274.6342 5.756323 273.4573 5.858999 1.176849       8.213593 
1 1 1 -23 7  9  o 153.6368 4.789169 317.7306       19.78540 328.5564      28.90731 308.1895       27.13800 156.0908 6.877759 151.1828 6.666408 4.907959       9.578339 
1 1 1 -23 7  10 o 51.44619 11.31419 32.98367       17.49547 49.89129      27.57999 21.59852       22.63195 59.71262 16.56951 43.17976 15.41088 16.53286       22.62838 
1 1 1 -23 7  11 o 102.6427 6.706140 142.5219       18.21067 140.9925      28.46375 143.5817       23.69470 102.1454 10.34880 103.1400 8.531801 -0.9945679     13.41228 
1 1 1 -23 7  12 o 47.53703 11.80963 25.05243       17.92919 35.32194      31.06322 19.92211       21.95552 53.08251 18.11442 41.99154 15.15708 11.09097       23.61926 
1 1 1 -23 7  13 o 571.3807 8.903264 4407.429       136.9803 0.000000      0.000000 4407.429       136.9803 ?        ?        571.3807 8.903264 ?              ?        
1 1 1 -23 7  14 o 676.0774 7.362558 6173.420       133.9820 6064.498      186.4117 6289.819       192.7032 669.9304 10.33380 682.2244 10.49007 -12.29401      14.72512 
1 1 1 -23 7  15 o 568.7209 6.305524 4363.021       96.49175 4280.045      133.4763 4453.853       139.6531 563.0811 8.803385 574.3607 9.029891 -11.27960      12.61105 
1 1 1 -23 7  16 o 238.7607 4.260240 725.5747       26.36849 620.9374      32.37535 931.7546       45.44588 214.6392 5.601729 262.8823 6.420218 -48.24306      8.520479 
1 1 1 -23 7  17 o 321.3608 4.404561 1362.134       37.25042 1259.922      47.17404 1531.420       60.71068 305.7297 5.730363 336.9919 6.690557 -31.26218      8.809121 
1 1 1 -23 7  18 o 183.5317 5.007064 464.9901       23.52794 492.1904      29.55902 417.9620       38.86714 191.0856 5.744850 175.9778 8.202406 15.10774       10.01413 
1 1 1 -23 7  19 o 257.6576 5.722565 895.2520       39.70243 895.2520      39.70243 0.000000       0.000000 257.6576 5.722565 ?        ?        ?              ?        
1 1 1 -23 7  20 o 202.0094 7.747945 551.4722       42.14456 0.000000      0.000000 551.4722       42.14456 ?        ?        202.0094 7.747945 ?              ?        
1 1 1 -23 7  21 o 62.20528 11.62799 55.15566       19.61581 56.80851      25.64412 52.82470       30.45363 63.18943 15.24676 61.22112 17.56066 1.968307       23.25597 
1 1 1 -23 7  22 o 342.5868 6.748200 1586.060       62.25039 1586.060      62.25039 0.000000       0.000000 342.5868 6.748200 ?        ?        ?              ?        
1 1 1 -23 7  23 o 51.89034 12.20771 32.97990       20.43124 49.74270      30.64623 19.56865       27.41184 59.58864 17.76297 44.19204 16.75082 15.39660       24.41542 
1 1 1 -23 7  24 o 30.73821 14.58122 -38.40456      32.46732 0.000000      0.000000 -38.40456      32.46732 ?        ?        30.73821 14.58122 ?              ?        
1 1 1 -23 7  25 o 83.70286 11.87127 109.7270       25.73183 53.84412      39.91809 149.4569       33.65808 62.78985 20.51694 104.6159 11.94836 -41.82602      23.74254 
1 1 1 -23 7  26 o 48.84164 20.01583 16.49088       42.00002 0.000000      0.000000 16.49088       42.00002 ?        ?        48.84164 20.01583 ?              ?        
1 1 1 -23 7  27 o 122.2846 14.93547 206.8274       49.17834 0.000000      0.000000 206.8274       49.17834 ?        ?        122.2846 14.93547 ?              ?        
1 1 1 -23 7  28 o 64.83276 14.09231 63.59076       28.38300 36.84487      43.24482 83.83121       37.61972 55.27095 21.01797 74.39458 18.77813 -19.12362      28.18463 
1 1 1 -23 7  29 o 86.38524 12.10709 111.9809       27.15202 105.1463      42.13997 116.8325       35.50452 82.45958 19.31734 90.31089 14.60024 -7.851311      24.21419 
1 1 1 -23 7  30 o 47.64286 12.97622 1.367811       26.61966 69.13336      43.89546 -38.05006      33.47818 64.98790 21.52841 30.29782 14.49334 34.69009       25.95245 
1 1 1 -23 7  31 o 77.74729 15.01307 113.2978       30.44098 78.11456      73.87391 120.4938       33.40927 65.55885 26.66910 89.93574 13.79594 -24.37689      30.02614 
1 1 1 -23 7  32 o 38.28690 12.66455 -13.25724      31.90624 -102.9509     71.89184 8.742626       35.60481 37.13094 18.45989 39.44286 17.34347 -2.311924      25.32911 
1 1 1 -23 7  33 o 54.56496 14.37388 60.50620       37.56911 -58.56333     73.09785 103.2492       43.79622 39.09837 19.28868 70.03156 21.31620 -30.93320      28.74776 
1 1 1 -23 9  1  o 134.3781 5.983253 244.4228       21.53160 245.8691      32.21481 243.2551       28.94718 134.6968 8.882086 134.0595 8.019093 0.6372681      11.96651 
1 1 1 -23 9  2  o 328.8904 4.554178 1460.383       40.29852 1483.036      58.36172 1439.740       55.71199 331.3087 6.542019 326.4721 6.337518 4.836609       9.108356 
1 1 1 -23 9  3  o 209.1316 4.409304 590.5127       24.81765 591.5613      35.67411 589.5293       34.54789 209.3023 6.329884 208.9609 6.140067 0.3413544      8.818608 
1 1 1 -23 9  4  o 147.3876 5.132210 295.1052       20.23111 330.3419      28.38320 258.7136       28.84460 156.4158 6.739029 138.3595 7.742338 18.05630       10.26442 
1 1 1 -23 9  5  f 79.47650 8.636026 85.11310       17.85723 69.51583      23.51408 106.3652       27.44765 70.42816 12.87374 88.52483 11.51481 -18.09667      17.27205 
1 1 1 -23 9  6  o 74.21567 9.590028 81.19115       17.71552 95.55792      22.65673 58.58896       28.41795 84.06447 10.00924 64.36687 16.36122 19.69759       19.18006 
1 1 1 -23 9  7  o 188.9534 4.396655 480.4301       22.26621 472.0039      29.95938 490.8278       33.28009 187.1176 5.946137 190.7892 6.478096 -3.671631      8.793309 
1 1 1 -23 9  8  o 84.28377 8.146168 96.16550       18.47481 93.65927      26.38631 98.57570       25.87584 83.19664 11.77849 85.37090 11.25644 -2.174263      16.29234 
1 1 1 -23 9  9  o 243.1893 4.220094 798.4548       27.47833 785.5827      40.92295 809.0234       37.08097 241.3841 6.296146 244.9945 5.620971 -3.610367      8.440188 
1 1 1 -23 9  10 o 468.7896 5.455919 2964.967       68.82039 2967.032      99.24055 2963.052       95.51952 468.9283 7.859580 468.6510 7.569361 0.2772827      10.91184 
1 1 1 -23 9  11 o 99.45105 7.428661 129.7422       19.35471 150.4504      32.09805 117.9112       24.26160 105.4723 11.30204 93.42983 9.643850 12.04243       14.85732 
1 1 1 -23 9  12 o 125.4542 5.773556 210.3089       19.31873 227.0545      29.84588 198.2338       25.34435 129.6958 8.546239 121.2126 7.765152 8.483238       11.54711 
1 1 1 -23 9  13 o 227.5413 4.069333 695.7258       24.84501 673.6570      33.54105 722.5562       36.98287 223.5639 5.571749 231.5187 5.932411 -7.954712      8.138666 
1 1 1 -23 9  14 o 333.4709 4.383368 1498.309       39.34380 1558.075      56.37214 1441.548       54.93670 339.9536 6.158309 326.9883 6.239460 12.96533       8.766735 
1 1 1 -23 9  15 o 144.7653 5.441085 286.5995       20.08813 295.2787      24.92191 270.5020       33.94088 147.9894 6.254138 141.5412 8.905471 6.448196       10.88217 
1 1 1 -23 9  16 o 216.4914 4.283062 626.8600       24.27362 611.1786      30.72229 652.9125       39.59931 212.9488 5.357905 220.0340 6.683663 -7.085129      8.566125 
1 1 1 -23 9  17 o 116.9568 6.819275 187.5828       19.50263 191.3718      23.28475 178.6773       35.69762 119.0747 7.262209 114.8389 11.54428 4.235794       13.63855 
1 1 1 -23 9  18 o 60.68104 11.38336 47.71272       18.11247 37.92312      21.99330 68.34702       31.93028 52.09300 14.91782 69.26907 17.19833 -17.17607      22.76672 
1 1 1 -23 9  19 o 68.44312 10.59468 70.84625       19.21816 90.38825      24.68163 40.75352       30.62810 81.60416 11.23254 55.28206 17.96717 26.32210       21.18936 
1 1 1 -23 9  20 o 61.15762 11.32625 51.75597       19.19521 36.65963      25.82096 70.40488       28.69878 51.98427 16.45719 70.33097 15.56588 -18.34670      22.65249 
1 1 1 -23 9  21 o 35.38826 10.64188 -2.239963      18.27644 -15.01212     25.76182 10.70211       25.93261 31.08881 14.12359 39.68771 15.92238 -8.598902      21.28375 
1 1 1 -23 9  22 o 132.6715 5.832959 239.7659       20.69684 221.4377      30.32087 255.7559       28.32087 127.8434 8.808056 137.4996 7.649300 -9.656235      11.66592 
1 1 1 -23 9  23 o 56.87167 17.86862 44.70023       30.49122 0.000000      0.000000 44.70023       30.49122 ?        ?        56.87167 17.86862 ?              ?        
1 1 1 -23 9  24 o 69.42433 13.83305 67.01071       27.33081 90.56749      41.24702 48.57262       36.49158 79.00421 19.50597 59.84444 19.61964 19.15977       27.66610 
1 1 1 -23 9  25 o 37.53010 12.50857 -39.27206      32.84365 -66.59837     52.90141 -22.13279      41.89604 36.82464 17.76973 38.23556 17.60950 -1.410923      25.01715 
1 1 1 -23 9  26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 9  27 o 57.41375 13.57951 41.13025       29.16267 -13.40063     46.16189 77.34883       37.62080 43.04573 19.28733 71.78177 19.12097 -28.73603      27.15903 
1 1 1 -23 9  28 o 55.75768 14.24438 43.51362       30.70614 -50.34676     69.31060 66.43405       34.25073 45.86207 21.61940 65.65330 18.55292 -19.79123      28.48876 
1 1 1 -23 9  29 o 65.22496 15.15864 71.15193       29.94793 38.11686      65.84660 79.76762       33.62720 58.96287 24.69300 71.48705 17.58956 -12.52418      30.31727 
1 1 1 -23 9  30 o 46.96160 15.14892 2.702994       31.88749 8.393882      81.13615 1.663417       34.67790 54.86585 24.97916 39.05735 17.14644 15.80849       30.29783 
1 1 1 -23 9  31 o 46.22137 14.72934 14.07461       31.63115 9.569629      76.39690 15.00666       34.74957 50.85528 23.54742 41.58746 17.70121 9.267826       29.45868 
1 1 1 -23 9  32 o 45.23228 14.98016 5.225173       35.84015 71.34743      79.57655 -11.60062      40.14200 54.92477 24.90216 35.53980 16.65844 19.38498       29.96033 
1 1 1 -23 11 1  o 212.3867 5.095494 602.5666       28.84166 665.6689      44.82351 557.9808       37.67746 221.7011 7.508525 203.0723 6.890449 18.62881       10.19099 
1 1 1 -23 11 2  o 185.2624 4.959630 465.7631       24.61397 443.3618      36.16448 485.0954       33.59606 181.0514 7.418171 189.4734 6.585016 -8.421921      9.919259 
1 1 1 -23 11 3  o 123.7573 5.819736 207.3564       19.38843 208.8859      27.78286 205.9043       27.06979 124.1954 8.307839 123.3192 8.152123 0.8761826      11.63947 
1 1 1 -23 11 4  o 87.66409 7.167058 103.2102       16.82360 93.29681      22.41737 115.9926       25.45549 82.90348 10.04219 92.42469 10.22845 -9.521210      14.33412 
1 1 1 -23 11 5  o 299.4541 4.366044 1202.959       35.02152 1138.978      46.74849 1284.795       52.87042 290.4653 5.977092 308.4428 6.365825 -17.97754      8.732088 
1 1 1 -23 11 6  o 111.9852 6.473069 168.7063       19.35201 162.0330      25.53293 177.7145       29.66537 109.4317 8.665111 114.5388 9.618647 -5.107056      12.94614 
1 1 1 -23 11 7  o 380.2963 4.842185 1949.629       49.51235 2009.834      72.38915 1896.705       67.87109 385.7841 6.968603 374.8084 6.724998 10.97574       9.684370 
1 1 1 -23 11 8  o 157.7106 5.054908 338.1922       21.29181 314.1398      31.48873 358.4523       28.89989 152.4719 7.669763 162.9493 6.586586 -10.47736      10.10982 
1 1 1 -23 11 9  o 336.1902 4.575700 1521.629       41.20060 1559.828      61.86549 1491.184       55.23032 339.9363 6.758768 332.4442 6.169860 7.492096       9.151400 
1 1 1 -23 11 10 o 403.5244 6.814761 2197.429       74.04637 0.000000      0.000000 2197.429       74.04637 ?        ?        403.5244 6.814761 ?              ?        
1 1 1 -23 11 11 o 207.1546 4.215485 578.6340       23.51200 570.1201      33.00714 587.4043       33.50033 205.6079 5.961900 208.7014 5.961292 -3.093460      8.430970 
1 1 1 -23 11 12 o 571.0332 6.390474 4402.728       98.19717 4283.395      135.9232 4533.009       142.0209 562.9653 8.966619 579.1011 9.107820 -16.13580      12.78095 
1 1 1 -23 11 13 o 115.5746 6.167062 180.4334       17.86611 180.2339      21.62304 180.8626       31.71692 115.5571 6.949230 115.5920 10.19013 -0.3489685E-01 12.33412 
1 1 1 -23 11 14 o 258.6778 4.297663 897.8843       29.52665 873.9922      38.46419 932.1622       46.07197 254.5524 5.611721 262.8033 6.510623 -8.250961      8.595326 
1 1 1 -23 11 15 o 282.3869 4.338426 1080.426       32.78557 1121.173      44.49025 1032.002       48.50048 288.2791 5.731500 276.4948 6.514421 11.78433       8.676852 
1 1 1 -23 11 16 o 190.5607 4.906059 499.7966       24.08471 525.7355      30.41970 456.2197       39.42823 197.4061 5.722832 183.7153 7.970374 13.69084       9.812119 
1 1 1 -23 11 17 o 46.89929 11.36027 27.65384       18.21838 39.36679      22.47052 5.183901       31.12298 52.98518 15.04642 40.81340 17.02434 12.17178       22.72054 
1 1 1 -23 11 18 o 92.26318 7.574460 115.9446       18.75081 120.4389      25.78307 110.8988       27.31882 94.20676 10.16410 90.31962 11.23302 3.887138       15.14892 
1 1 1 -23 11 19 o 74.04132 9.272625 76.38319       18.00060 71.73728      26.22024 80.52476       24.75620 71.19969 14.17479 76.88295 11.95833 -5.683258      18.54525 
1 1 1 -23 11 20 o 159.5327 5.023221 338.6849       21.35432 381.6708      33.24841 308.5026       27.86017 167.9892 7.350317 151.0762 6.848639 16.91299       10.04644 
1 1 1 -23 11 21 o 56.03049 10.92222 42.63211       21.39039 -13.03320     33.97799 79.17622       27.53050 37.20744 16.61814 74.85355 14.17805 -37.64611      21.84444 
1 1 1 -23 11 22 o 141.9118 7.328448 286.5369       26.43419 230.5897      42.65442 321.4225       33.68203 129.8499 12.19941 153.9737 8.123972 -24.12372      14.65690 
1 1 1 -23 11 23 o 204.0854 5.861239 563.1196       31.53517 573.6046      50.17573 556.2739       40.54332 205.5036 9.067571 202.6672 7.429379 2.836395       11.72248 
1 1 1 -23 11 24 o 33.48581 16.21862 -140.9754      36.17929 -267.9563     60.59483 -70.63047      45.10066 ?        ?        33.48581 16.21862 ?              ?        
1 1 1 -23 11 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 26 o 50.77267 16.15614 -3.683890      33.59155 3.372169      87.48956 -4.903927      36.37992 61.57954 27.12866 39.96581 17.55331 21.61372       32.31227 
1 1 1 -23 11 27 o 40.89758 13.13618 -6.936975      27.85708 -80.35612     68.43615 7.643867       30.49806 41.96885 20.24166 39.82631 16.74848 2.142540       26.27235 
1 1 1 -23 11 28 o 47.40536 13.96349 17.13125       30.39812 -101.8332     77.77541 38.58086       33.02505 42.69418 20.81873 52.11654 18.61441 -9.422359      27.92697 
1 1 1 -23 11 29 o 48.42957 15.49776 10.74421       34.47562 -72.51194     103.2496 21.19149       36.57477 51.16037 24.72103 45.69878 18.69741 5.461594       30.99552 
1 1 1 -23 11 30 o 49.40042 16.08983 9.074690       31.20317 59.17158      96.06590 3.166016       32.99202 60.98948 27.53234 37.81136 16.65836 23.17812       32.17967 
1 1 1 -23 11 31 o 49.59018 15.70558 19.34524       30.87765 112.3144      80.24731 3.188430       33.45330 62.82192 26.82324 36.35844 16.34547 26.46348       31.41115 
1 1 1 -23 13 1  o 95.76572 10.90407 151.5211       24.30735 84.43528      39.26632 193.2011       30.95055 73.50867 19.51268 118.0228 9.739108 -44.51408      21.80814 
1 1 1 -23 13 2  o 111.5001 7.886442 173.8805       23.03154 143.5632      34.80815 197.4902       30.71713 102.4347 12.61974 120.5655 9.461814 -18.13078      15.77288 
1 1 1 -23 13 3  o 93.54961 9.206682 122.4128       21.97041 158.8169      31.74549 88.94692       30.43747 107.9349 10.92287 79.16429 14.82373 28.77064       18.41336 
1 1 1 -23 13 4  o 261.4934 4.563581 917.4530       32.01871 840.7073      43.18588 1011.139       47.71466 249.4383 6.429768 273.5485 6.477897 -24.11024      9.127161 
1 1 1 -23 13 5  o 230.6614 4.450983 717.8669       27.61832 701.8835      38.07651 735.6120       40.11998 227.9658 6.203032 233.3570 6.384935 -5.391205      8.901966 
1 1 1 -23 13 6  o 25.89054 8.970096 -62.64304      21.17286 -86.01880     29.58477 -38.09996      30.31446 22.42169 11.25061 29.35940 13.97406 -6.937704      17.94019 
1 1 1 -23 13 7  o 120.5628 6.630750 201.8237       20.96863 155.4445      30.45350 243.6339       28.91456 106.9584 10.57399 134.1672 8.003629 -27.20879      13.26150 
1 1 1 -23 13 8  o 256.0307 4.375504 887.8591       30.07505 829.5388      43.19523 942.7330       41.89946 247.8093 6.473435 264.2520 5.888527 -16.44276      8.751007 
1 1 1 -23 13 9  o 504.4956 8.137931 3444.118       110.5490 0.000000      0.000000 3444.118       110.5490 ?        ?        504.4956 8.137931 ?              ?        
1 1 1 -23 13 10 o 286.6532 4.199791 1108.883       32.39976 1099.520      45.01702 1118.946       46.66792 285.4085 5.857692 287.8979 6.020002 -2.489380      8.399583 
1 1 1 -23 13 11 o 227.8141 4.110157 692.3513       24.93499 649.4271      32.53297 753.4729       38.82137 219.3834 5.507272 236.2447 6.102747 -16.86128      8.220314 
1 1 1 -23 13 12 o 252.4525 4.232574 862.0019       28.63339 878.8402      38.85665 841.9934       42.35684 255.1915 5.654781 249.7137 6.299381 5.477798       8.465149 
1 1 1 -23 13 13 o 310.2974 4.397505 1299.012       36.67184 1283.355      50.19174 1316.941       53.71052 308.3181 6.045744 312.2767 6.387581 -3.958527      8.795011 
1 1 1 -23 13 14 o 226.1791 4.408712 677.5010       26.26919 630.9395      33.36363 753.4492       42.61064 216.2044 5.730933 236.1539 6.700999 -19.94948      8.817425 
1 1 1 -23 13 15 f 264.5550 5.953455 944.9758       42.41001 944.9758      42.41001 0.000000       0.000000 264.5550 5.953455 ?        ?        ?              ?        
1 1 1 -23 13 16 o 313.4099 4.495462 1325.773       37.91960 1363.505      54.66700 1290.782       52.64305 317.6987 6.390376 309.1211 6.324542 8.577637       8.990925 
1 1 1 -23 13 17 o 77.75380 9.352101 83.75900       18.96956 84.59703      28.85073 83.12082       25.17699 77.40939 14.37046 78.09821 11.97235 -0.6888275     18.70420 
1 1 1 -23 13 18 o 302.6152 4.505196 1236.306       36.61385 1246.478      53.86532 1227.570       49.91917 303.7373 6.586091 301.4931 6.149030 2.244263       9.010391 
1 1 1 -23 13 19 o 39.97836 11.77858 3.988474       21.62223 -15.11397     34.37952 16.48903       27.81122 36.92419 16.58759 43.03253 16.72698 -6.108345      23.55716 
1 1 1 -23 13 20 o 136.5864 7.324553 256.7422       26.41576 238.6593      40.76273 269.8341       34.68415 132.2254 11.44893 140.9474 9.138831 -8.721954      14.64911 
1 1 1 -23 13 21 o 113.0206 9.114017 180.7446       26.52663 150.8262      42.08627 200.4642       34.16802 104.6807 14.93105 121.3604 10.45585 -16.67971      18.22803 
1 1 1 -23 13 22 o 85.01428 17.27283 134.2731       35.85338 104.8729      108.0503 137.9107       38.00676 73.68852 31.28495 96.34004 14.65111 -22.65152      34.54567 
1 1 1 -23 13 23 o 618.1981 10.06796 5176.320       167.5917 0.000000      0.000000 5176.320       167.5917 ?        ?        618.1981 10.06796 ?              ?        
1 1 1 -23 13 24 o 71.73436 15.12246 108.6489       38.65007 -163.9697     131.4292 134.4569       40.43816 50.66457 25.14929 92.80415 16.80085 -42.13959      30.24492 
1 1 1 -23 13 25 o 75.69267 19.19172 90.84206       47.90264 52.79117      100.3358 102.0756       54.51700 71.42226 30.22517 79.96308 23.65858 -8.540825      38.38345 
1 1 1 -23 13 26 o 68.65671 14.86827 81.43903       29.72525 13.10483      74.88744 94.21900       32.38581 57.72507 25.27293 79.58835 15.66976 -21.86328      29.73655 
1 1 1 -23 13 27 o 48.75282 15.27702 10.41866       28.06440 19.18501      78.99741 9.152474       30.02283 57.89928 25.62880 39.60636 16.63471 18.29293       30.55403 
1 1 1 -23 13 28 o 43.72829 15.17301 -37.30943      30.90296 12.03779      97.72652 -42.79211      32.57447 58.66403 26.97219 28.79255 13.90618 29.87148       30.34602 
1 1 1 -23 13 29 o 54.41988 17.27775 21.74578       31.00314 109.1342      106.1369 13.59374       32.41697 68.28252 29.98635 40.55722 17.17270 27.72530       34.55550 
1 1 1 -23 13 30 o 54.24735 16.97676 44.71618       34.54012 127.6042      102.3683 34.06742       36.69181 62.50008 28.29867 45.99462 18.76239 16.50546       33.95353 
1 1 1 -23 15 1  o 178.7301 6.423920 445.8823       30.19862 350.3141      43.82701 532.2717       41.66923 159.7591 10.18809 197.7011 7.827501 -37.94197      12.84784 
1 1 1 -23 15 2  f 119.6406 11.36539 194.2109       36.61392 0.000000      0.000000 194.2109       36.61392 ?        ?        119.6406 11.36539 ?              ?        
1 1 1 -23 15 3  o 215.2125 5.492366 647.2596       31.39653 578.6135      46.72678 703.7598       42.39186 204.1473 8.500388 226.2777 6.957566 -22.13042      10.98473 
1 1 1 -23 15 4  o 91.92828 10.73760 135.5184       23.60636 54.48404      35.24480 201.4475       31.79062 62.18115 19.15810 121.6754 9.703150 -59.49426      21.47519 
1 1 1 -23 15 5  o 176.1723 5.874076 415.0087       27.31533 311.8401      36.51889 546.0326       41.15468 151.5613 8.948412 200.7834 7.612162 -49.22214      11.74815 
1 1 1 -23 15 6  o 171.6932 10.35661 401.8524       38.00064 412.5791      85.97476 399.2480       42.36338 171.9446 18.56945 171.4418 9.176785 0.5028229      20.71323 
1 1 1 -23 15 7  o 28.79992 9.643831 -53.20284      19.07940 -80.52106     23.71123 -3.028663      32.13424 18.90814 9.560359 38.69170 16.75152 -19.78356      19.28766 
1 1 1 -23 15 8  o 76.23031 9.105418 67.42943       16.98738 34.32647      20.32220 144.2055       30.94926 49.53070 14.38538 102.9299 11.16671 -53.39922      18.21084 
1 1 1 -23 15 9  o 422.6306 5.179448 2405.647       58.76774 2294.546      79.48489 2539.612       87.28142 411.9515 7.165642 433.3096 7.480662 -21.35809      10.35890 
1 1 1 -23 15 10 o 255.7130 4.486948 878.0157       30.66561 1041.263      45.14796 738.1974       41.78273 277.6882 6.038058 233.7377 6.638725 43.95053       8.973896 
1 1 1 -23 15 11 o 619.8083 6.959685 5212.344       116.1219 5240.416      166.3457 5185.662       162.1761 621.3865 9.941832 618.2302 9.742118 3.156372       13.91937 
1 1 1 -23 15 12 o 121.9302 6.778736 211.3483       20.90529 236.8407      26.48468 169.2127       34.04978 132.3350 7.432526 111.5254 11.33854 20.80967       13.55747 
1 1 1 -23 15 13 o 148.3330 5.819857 305.6763       22.54088 339.7517      29.60630 258.6854       34.76728 158.5444 6.935053 138.1216 9.348153 20.42282       11.63971 
1 1 1 -23 15 14 o 316.8766 6.635090 1356.860       56.61355 1356.860      56.61355 0.000000       0.000000 316.8766 6.635090 ?        ?        ?              ?        
1 1 1 -23 15 15 o 26.83208 9.283708 -63.44095      22.52752 -83.52074     31.82065 -43.26479      31.89692 24.12635 12.04037 29.53782 14.13430 -5.411465      18.56742 
1 1 1 -23 15 16 o 334.5597 7.251775 1514.981       65.32829 1514.981      65.32829 0.000000       0.000000 334.5597 7.251775 ?        ?        ?              ?        
1 1 1 -23 15 17 o 282.6921 4.913364 1080.728       37.02702 1086.433      56.55905 1076.448       48.98256 283.2445 7.415785 282.1397 6.447536 1.104797       9.826729 
1 1 1 -23 15 18 o 96.71984 31.05944 138.4045       91.71981 138.4045      91.71981 0.000000       0.000000 96.71984 31.05944 ?        ?        ?              ?        
1 1 1 -23 15 19 o 48.21358 16.00081 -30.38796      28.85268 11.36431      93.59209 -34.77269      30.32988 66.60542 28.71270 29.82173 14.13098 36.78369       32.00162 
1 1 1 -23 15 20 o 130.5516 16.95366 262.7711       38.43053 268.0058      107.5480 262.0049       41.14720 123.7290 32.03074 137.3742 11.12376 -13.64513      33.90732 
1 1 1 -23 15 21 o 630.5675 10.26831 5386.843       174.3468 0.000000      0.000000 5386.843       174.3468 ?        ?        630.5675 10.26831 ?              ?        
1 1 1 -23 15 22 o 28.33411 13.90211 -98.70743      34.82374 -492.2103     122.9126 -64.36379      36.31161 ?        ?        28.33411 13.90211 ?              ?        
1 1 1 -23 15 23 o 44.20818 15.38637 -35.51086      31.26128 -92.08409     111.5485 -30.68894      32.56629 56.60357 26.90211 31.81278 14.94114 24.79080       30.77274 
1 1 1 -23 15 24 o 92.50464 18.44335 96.20944       29.67196 231.3882      107.3228 85.02148       30.87544 109.6656 33.36602 75.34373 15.72697 34.32183       36.88670 
1 1 1 -23 15 25 o 82.53197 18.36926 89.75777       30.84459 153.7398      102.7177 83.41666       32.33695 90.77710 32.78160 74.28685 16.58569 16.49025       36.73851 
1 1 1 -23 15 26 o 43.27690 14.90808 -27.05566      30.41301 -25.75502     97.57845 -27.19560      32.00736 55.23899 25.91763 31.31480 14.74040 23.92419       29.81616 
1 1 1 -23 15 27 o 62.10119 16.37415 66.06664       33.20071 27.70291      91.80155 71.83953       35.61119 58.62241 26.64334 65.57997 19.04160 -6.957558      32.74829 
1 1 1 -23 15 28 o 49.31649 15.88291 19.04454       32.00514 39.75708      97.08598 16.51918       33.90014 57.02335 26.45335 41.60963 17.58656 15.41372       31.76581 
1 1 1 -23 15 29 o 49.58934 14.77400 45.42806       32.89437 -40.28823     101.9197 55.39502       34.75424 45.59079 22.54473 53.58789 19.10024 -7.997108      29.54800 
1 1 1 -23 17 1  o 48.73094 11.34932 34.42072       17.55317 23.65229      28.17777 41.24947       22.43886 44.78147 16.98107 52.68042 15.06225 -7.898952      22.69864 
1 1 1 -23 17 2  o 106.8532 8.543294 181.9227       20.56689 102.9288      33.45034 229.9366       26.07876 83.91063 15.37118 129.7957 7.461793 -45.88507      17.08659 
1 1 1 -23 17 3  o 71.19261 13.78049 74.82092       25.46219 0.000000      0.000000 74.82092       25.46219 ?        ?        71.19261 13.78049 ?              ?        
1 1 1 -23 17 4  o 81.29591 17.98930 77.97079       30.29608 117.5946      95.79948 73.56763       31.93506 91.14462 31.77846 71.44722 16.86975 19.69740       35.97859 
1 1 1 -23 17 5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 17 6  o 26.17104 12.71446 -87.46216      23.88689 -48.16950     28.27701 -185.3626      44.63443 26.17104 12.71446 ?        ?        ?              ?        
1 1 1 -23 17 7  o 74.96236 11.25806 92.10638       20.35078 100.5958      24.07122 70.83253       38.10505 84.26694 10.60859 65.65779 19.86036 18.60915       22.51613 
1 1 1 -23 17 8  o 53.27747 12.22582 40.65530       20.70489 51.25255      25.81505 21.54508       34.66644 59.18863 15.87168 47.36630 18.60034 11.82233       24.45164 
1 1 1 -23 17 9  o 191.0134 8.484921 495.4202       43.64104 0.000000      0.000000 495.4202       43.64104 ?        ?        191.0134 8.484921 ?              ?        
1 1 1 -23 17 10 f 37.06392 11.26204 -13.67750      23.37327 17.97984      28.57111 -77.73231      40.64114 43.94536 16.98944 30.18247 14.78828 13.76289       22.52409 
1 1 1 -23 17 11 o 308.3716 6.816982 1286.288       56.60435 1286.288      56.60435 0.000000       0.000000 308.3716 6.816982 ?        ?        ?              ?        
1 1 1 -23 17 12 o 143.2294 7.451658 287.5462       27.70587 319.3074      36.07130 241.8492       43.26701 153.4108 8.732178 133.0481 12.07716 20.36270       14.90332 
1 1 1 -23 17 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 17 14 o 115.9667 16.27786 175.7834       32.44979 226.5498      98.99461 169.6720       34.34751 120.5968 30.47310 111.3365 11.45708 9.260277       32.55571 
1 1 1 -23 17 15 o 32.41511 11.96116 -103.9654      29.44189 -182.8764     92.48850 -95.06732      31.05751 42.59445 21.13551 22.23577 11.20570 20.35868       23.92232 
1 1 1 -23 17 16 o 38.67166 19.56322 -136.5247      30.58063 -275.1705     100.0455 -122.2356      32.11784 38.67166 19.56322 ?        ?        ?              ?        
1 1 1 -23 17 17 o 43.20164 21.78648 -436.8852      81.69702 -366.4720     118.5215 -500.6272      112.7672 43.20164 21.78648 ?        ?        ?              ?        
1 1 1 -23 17 18 o 532.6434 9.380408 3839.821       134.5370 0.000000      0.000000 3839.821       134.5370 ?        ?        532.6434 9.380408 ?              ?        
1 1 1 -23 17 19 o 101.0645 14.02350 85.22421       36.50467 -531.6400     125.2078 142.5307       38.16266 ?        ?        101.0645 14.02350 ?              ?        
1 1 1 -23 17 20 f 163.6387 16.20481 387.1009       69.41076 534.5411      114.1974 300.7176       87.41034 187.2313 22.65136 140.0461 23.17973 47.18526       32.40963 
1 1 1 -23 17 21 o 66.72862 18.14612 45.57368       29.16647 98.74024      100.0497 40.63574       30.49085 80.02468 31.54346 53.43256 17.94815 26.59212       36.29223 
1 1 1 -23 17 22 o 56.23729 17.04333 20.62561       28.50256 55.71939      95.50355 17.19419       29.86353 69.58484 29.47023 42.88974 17.12912 26.69510       34.08667 
1 1 1 -23 17 23 o 48.19943 14.52282 18.70227       27.52159 -68.23716     83.90048 29.18504       29.13359 48.83801 23.24589 47.56086 17.41487 1.277149       29.04564 
1 1 1 -23 17 24 o 55.38095 15.73610 40.53507       30.48473 -4.209887     85.96617 46.97110       32.60353 55.43544 25.41730 55.32645 18.55966 0.1089897      31.47221 
1 1 1 -23 17 25 o 56.53401 15.38505 49.99618       31.87706 -22.16215     85.70936 61.57977       34.34048 51.71374 24.27214 61.35428 18.91195 -9.640541      30.77009 
1 1 1 -23 17 26 o 77.61526 14.10102 136.3486       34.71677 -12.19663     94.22472 159.6815       37.34395 52.19414 24.78270 103.0364 13.46004 -50.84224      28.20203 
1 1 1 -23 17 27 o 55.52292 16.81383 50.94972       35.02280 94.86992      94.71767 43.99381       37.69430 60.80743 27.40459 50.23841 19.48866 10.56902       33.62766 
1 1 1 -23 17 28 o 54.62592 15.98646 62.93901       34.04713 53.64236      106.8879 63.98878       35.91802 52.61883 25.35758 56.63300 19.47462 -4.014175      31.97292 
1 1 1 -23 19 1  o 63.40919 9.739336 64.27410       16.39844 38.96309      25.76960 81.49825       21.25797 50.80338 16.47890 76.01499 10.38578 -25.21161      19.47867 
1 1 1 -23 19 2  o 84.82622 14.30096 144.4104       20.09860 50.53872      84.26374 150.0731       20.69593 65.14140 27.64027 104.5110 7.354269 -39.36964      28.60192 
1 1 1 -23 19 3  o 98.00740 4.689670 113.4203       11.35035 89.71049      13.21179 180.2284       22.17751 81.18941 6.043368 114.8254 7.172845 -33.63598      9.379339 
1 1 1 -23 19 4  o 79.31031 6.179940 71.82698       12.00666 49.54755      13.98336 134.3442       23.42391 59.94849 8.662635 98.67213 8.816201 -38.72364      12.35988 
1 1 1 -23 19 5  o 131.3956 5.080267 230.0212       16.42401 221.4431      19.43373 251.4619       30.72419 127.6157 5.655469 135.1756 8.441097 -7.559837      10.16053 
1 1 1 -23 19 6  o 103.3487 7.016921 128.5991       17.64805 107.3192      20.35088 193.1307       35.43927 88.56094 8.534097 118.1365 11.14082 -29.57559      14.03384 
1 1 1 -23 19 7  o 139.0192 5.851096 256.0482       21.17873 233.8636      26.30416 296.9350       35.71006 130.9371 7.460679 147.1013 9.015518 -16.16420      11.70219 
1 1 1 -23 19 8  o 53.89855 17.30697 -7.644492      36.32738 93.04431      100.4488 -22.79530      38.96477 71.93235 30.33061 35.86475 16.67869 36.06760       34.61394 
1 1 1 -23 19 9  o 179.3934 12.20814 384.9267       45.92010 663.6226      117.3199 334.5056       49.90141 205.3127 21.22132 153.4740 12.07520 51.83868       24.41628 
1 1 1 -23 19 10 o 68.90456 18.61374 -92.38497      42.91652 212.4187      114.7339 -141.9692      46.27578 110.7578 34.63932 27.05134 13.63830 83.70643       37.22748 
1 1 1 -23 19 11 o 237.4282 10.74082 701.3580       48.61928 912.1856      133.7574 669.2620       52.18908 253.1545 19.62226 221.7020 8.742319 31.45248       21.48164 
1 1 1 -23 19 12 o 49.25443 16.63878 -34.97031      40.52671 -98.45947     117.3251 -26.36868      43.18485 59.21359 27.97878 39.29526 18.01620 19.91833       33.27755 
1 1 1 -23 19 13 o 137.6357 17.35573 302.2302       40.51652 277.5623      113.4956 305.8330       43.37450 126.5133 32.97921 148.7581 10.82855 -22.24483      34.71146 
1 1 1 -23 19 14 o 44.33408 15.69808 -222.0989      75.85767 -106.6338     111.2832 -322.3214      103.6780 51.22796 24.96302 37.44020 19.04116 13.78776       31.39615 
1 1 1 -23 19 15 o 45.45026 14.42674 7.867361       29.32825 -124.3453     98.56454 20.71033       30.71969 46.89884 22.98938 44.00169 17.43594 2.897144       28.85349 
1 1 1 -23 19 16 o 40.48699 13.44107 -18.78575      29.32337 -198.9634     94.71666 0.3142695      30.83847 42.73266 21.23543 38.24132 16.48350 4.491344       26.88213 
1 1 1 -23 19 17 o 85.44772 17.20443 75.55934       26.55802 187.2585      91.56345 65.29897       27.75100 104.4666 30.59088 66.42888 15.75333 38.03768       34.40886 
1 1 1 -23 19 18 o 51.91194 14.69635 32.68352       25.98774 -74.73561     91.44245 42.12191       27.10542 50.43539 24.07829 53.38850 16.85727 -2.953106      29.39271 
1 1 1 -23 19 19 o 87.63496 16.99160 101.0938       28.65672 166.3616      89.45100 93.62916       30.25110 95.55364 30.67163 79.71627 14.63247 15.83737       33.98320 
1 1 1 -23 19 20 o 84.61946 16.12133 104.8759       28.02811 121.6959      82.68590 102.6923       29.79189 84.05073 29.51113 85.18819 12.98779 -1.137459      32.24267 
1 1 1 -23 19 21 o 46.93892 14.75109 8.253098       27.99226 4.312292      73.82486 8.914804       30.25122 54.21203 24.33375 39.66581 16.68075 14.54622       29.50219 
1 1 1 -23 19 22 o 82.55431 15.40949 120.4965       30.59240 94.22476      76.05552 125.5676       33.41476 72.20689 27.77376 92.90171 13.35769 -20.69482      30.81898 
1 1 1 -23 19 23 o 99.12646 15.60945 178.6842       32.38443 153.4056      79.33923 183.7377       35.47412 85.47802 28.95085 112.7749 11.68196 -27.29688      31.21890 
1 1 1 -23 19 24 o 57.88853 16.86419 45.31116       33.67796 95.08266      81.96241 35.20106       36.94045 66.76852 27.72009 49.00853 19.21457 17.75999       33.72837 
1 1 1 -23 19 25 o 42.58706 14.37550 -5.016147      33.60726 -5.112523     89.53542 -5.000342      36.25838 48.97549 23.50009 36.19863 16.56399 12.77686       28.75100 
1 1 1 -23 19 26 o 70.57631 15.66782 125.3656       36.14264 79.26167      105.0848 131.5510       38.49088 55.14298 26.17969 86.00964 17.22054 -30.86666      31.33565 
1 1 1 -23 21 1  o 64.96598 18.89283 93.58679       54.27267 70.99190      83.13448 110.3687       71.64666 60.45655 26.54443 69.47541 26.89142 -9.018860      37.78565 
1 1 1 -23 21 2  o 97.12357 18.29176 200.2825       53.85060 118.8962      82.23567 261.3806       71.25225 73.26486 28.68417 120.9823 22.70621 -47.71741      36.58352 
1 1 1 -23 21 3  o 51.59864 16.32806 3.034706       47.70736 46.89165      69.98186 -35.04246      65.20766 59.06246 25.12920 44.13482 20.85535 14.92764       32.65612 
1 1 1 -23 21 4  o 163.7975 12.95374 412.7175       56.58271 344.0516      76.14670 497.3785       84.55173 147.7408 19.14111 179.8543 17.45896 -32.11345      25.90748 
1 1 1 -23 21 5  o 97.12310 14.59114 192.2079       27.50520 92.23952      75.95378 207.2962       29.50799 72.26606 27.76498 121.9801 8.983944 -49.71408      29.18228 
1 1 1 -23 21 6  o 46.13443 13.43937 23.76602       21.67550 -107.6017     87.74373 32.30371       22.36877 45.20735 22.05927 47.06151 15.35757 -1.854160      26.87873 
1 1 1 -23 21 7  o 98.00822 15.83966 163.3818       24.87882 135.6554      87.98054 165.7915       25.93744 86.45119 30.43495 109.5653 8.791658 -23.11407      31.67933 
1 1 1 -23 21 8  o 56.66329 16.73320 21.80055       27.89844 66.17043      86.43353 16.64038       29.47611 70.72266 28.81721 42.60392 17.01670 28.11873       33.46640 
1 1 1 -23 21 9  o 63.42107 16.83923 40.92977       25.85391 93.40717      82.70922 35.24685       27.21783 76.77925 29.09820 50.06289 16.95680 26.71636       33.67845 
1 1 1 -23 21 10 o 46.34460 14.84729 3.645380       23.63040 -0.5444085    81.31809 4.031814       24.69611 57.25368 25.63008 35.43553 14.99559 21.81816       29.69459 
1 1 1 -23 21 11 o 118.6731 11.64124 134.4681       24.32198 325.0539      81.97343 116.0704       25.46887 145.9804 20.85427 91.36575 10.35244 54.61469       23.28248 
1 1 1 -23 21 12 o 111.2428 17.29362 225.6736       49.70304 131.3233      87.96870 269.9177       60.23989 86.39413 30.43096 136.0914 16.43880 -49.69730      34.58724 
1 1 1 -23 21 13 o 46.19739 14.24004 14.87295       22.57325 -44.89248     81.54585 19.83267       23.49122 51.03082 23.86318 41.36395 15.54553 9.666866       28.48008 
1 1 1 -23 21 14 o 72.06787 14.52357 89.80549       24.70851 18.96807      82.79140 96.73176       25.88831 61.00809 26.64524 83.12764 11.56578 -22.11954      29.04714 
1 1 1 -23 21 15 o 41.57414 12.94575 2.926773       25.44799 -125.2925     75.75895 19.23428       27.01786 40.59771 19.95179 42.55058 16.50138 -1.952869      25.89149 
1 1 1 -23 21 16 o 56.26329 15.70546 14.39523       24.41050 100.7672      71.89841 3.142018       25.95202 76.84637 27.46353 35.68021 15.24469 41.16616       31.41092 
1 1 1 -23 21 17 o 64.83646 15.44563 64.87592       26.71584 59.97343      70.72744 65.69181       28.85341 64.51827 26.15013 65.15464 16.44508 -0.6363678     30.89126 
1 1 1 -23 21 18 o 45.27752 13.94071 12.72644       27.68186 -31.36909     68.45238 21.34750       30.26716 46.68027 21.83982 43.87477 17.33192 2.805504       27.88141 
1 1 1 -23 21 19 o 80.03523 12.87653 141.9224       29.55315 -14.08168     74.65723 170.9103       32.18194 50.45129 23.33124 109.6192 10.90291 -59.16788      25.75306 
1 1 1 -23 21 20 o 69.90897 15.20877 91.63963       30.59547 51.37837      74.07117 99.92185       33.59533 60.17637 25.73395 79.64157 16.21699 -19.46520      30.41754 
1 1 1 -23 21 21 o 65.28215 12.89305 87.59691       30.04565 -55.03979     79.11103 111.6388       32.47924 44.73104 21.62032 85.83325 14.05293 -41.10221      25.78610 
1 1 1 -23 21 22 o 53.28983 16.45604 28.92415       31.55683 100.0128      87.01423 18.15829       33.86215 64.75658 27.79741 41.82307 17.62126 22.93351       32.91208 
1 1 1 -23 21 23 f 42.71303 14.24797 4.826942       32.38702 15.37673      83.43376 2.955263       35.14273 48.53423 23.12326 36.89183 16.65334 11.64241       28.49594 
1 1 1 -23 21 24 o 48.79372 15.24696 39.82514       33.46335 27.29928      95.36527 41.58399       35.73563 49.74318 23.96673 47.84425 18.85403 1.898926       30.49391 
1 1 1 -23 23 2  o 57.55941 17.97986 89.00204       55.80612 60.38660      81.00193 114.8558       76.99406 52.86125 24.39532 62.25757 26.41911 -9.396320      35.95972 
1 1 1 -23 23 3  o 54.18826 17.06452 64.69161       50.25318 63.99221      69.10526 65.47656       73.20968 54.07735 23.95213 54.29917 24.31229 -0.2218208     34.12905 
1 1 1 -23 23 4  o 108.2110 17.83082 248.6482       51.42178 210.3864      71.89723 288.7162       73.57455 96.00709 26.79267 120.4150 23.53519 -24.40791      35.66164 
1 1 1 -23 23 5  o 80.11409 19.32586 150.8024       54.67439 90.03707      78.54073 207.9351       76.15688 63.78165 26.85287 96.44653 27.80069 -32.66488      38.65171 
1 1 1 -23 23 6  o 90.42713 14.96381 100.1122       16.29128 215.1977      81.90007 95.37096       16.62348 98.22080 28.98009 82.63346 7.471067 15.58734       29.92762 
1 1 1 -23 23 7  o 110.3499 13.23888 149.0392       17.03470 270.0006      79.83370 143.2691       17.43626 118.7970 25.70393 101.9028 6.354535 16.89417       26.47776 
1 1 1 -23 23 8  o 122.0852 12.49946 205.9724       23.22645 279.4284      77.05470 198.6313       24.35944 124.6528 23.82546 119.5176 7.569238 5.135231       24.99892 
1 1 1 -23 23 9  o 41.51040 13.34569 5.982322       22.29456 -22.43977     71.16889 9.074975       23.47620 47.37960 22.19941 35.64119 14.81944 11.73841       26.69138 
1 1 1 -23 23 10 o 56.15549 15.20219 37.37990       21.81681 74.84130      69.43999 33.27708       22.98049 65.33652 26.11057 46.97446 15.57768 18.36207       30.40437 
1 1 1 -23 23 11 o 90.22457 13.74409 78.08897       21.18948 238.0232      72.76023 63.26778       22.14955 115.6832 24.13876 64.76592 13.14992 50.91730       27.48818 
1 1 1 -23 23 12 o 59.60348 14.88113 53.15025       23.18748 56.92990      68.88515 52.66726       24.62447 61.24019 25.41777 57.96677 15.48320 3.273422       29.76227 
1 1 1 -23 23 13 f 66.84891 13.12526 86.59679       22.67060 2.805168      75.54797 94.88886       23.76590 52.25070 23.90934 81.44711 10.83665 -29.19641      26.25052 
1 1 1 -23 23 14 o 90.44337 13.89865 180.1025       23.67645 67.23741      77.06326 191.8666       24.87978 63.50030 26.65958 117.3864 7.871278 -53.88614      27.79731 
1 1 1 -23 23 15 o 56.17605 13.51289 56.41124       23.63383 -41.10333     82.50350 65.12846       24.66758 47.68105 22.79323 64.67104 14.52108 -16.98999      27.02579 
1 1 1 -23 23 16 o 101.8969 14.90259 223.0553       27.55087 123.1141      80.79651 236.2049       29.30736 74.16027 28.59817 129.6335 8.396066 -55.47327      29.80519 
1 1 1 -23 23 17 o 65.04099 15.03756 79.91472       27.77834 52.59439      78.45169 83.83099       29.70264 58.03324 25.62141 72.04873 15.74979 -14.01549      30.07511 
1 1 1 -23 23 18 o 44.15879 14.04988 14.98868       28.48428 -16.64694     77.72643 19.89642       30.61409 46.91249 22.34172 41.40509 17.04241 5.507404       28.09976 
1 1 1 -23 23 19 o 37.00553 12.54196 -15.28393      29.82717 -88.80562     78.81022 -2.992163      32.22419 39.28160 19.49480 34.72946 15.78466 4.552143       25.08391 
1 1 1 -23 23 20 o 43.68033 14.13756 18.70588       30.39054 -1.631956     84.15398 21.75602       32.58985 46.35017 22.37780 41.01049 17.28341 5.339676       28.27512 
1 1 1 -23 25 8  o 40.18999 12.14267 21.36104       19.36989 -60.44645     75.21136 27.17250       20.04609 39.42036 19.46956 40.95963 14.51598 -1.539268      24.28533 
1 1 1 -23 25 9  o 65.96093 11.86635 102.7061       26.18902 -10.23106     68.49358 122.0444       28.34265 42.90206 20.57741 89.01980 11.82416 -46.11774      23.73269 
1 1 1 -23 25 10 o 33.07931 11.48227 -9.147047      18.87878 -68.14555     76.44565 -5.315166      19.48221 39.23528 19.42385 26.92334 12.25087 12.31194       22.96453 
1 1 1 -23 25 11 o 49.91234 12.52160 48.52501       20.60786 -35.43122     79.36787 54.59436       21.33975 42.50862 20.79323 57.31606 13.95719 -14.80743      25.04319 
1 1 1 -23 25 12 o 42.34011 14.19839 4.954129       22.97514 61.52139      84.19377 0.4028961      23.88152 53.45181 24.73916 31.22842 13.94100 22.22339       28.39678 
1 1 1 -23 25 13 o 59.31679 15.86436 60.75428       24.73977 124.9118      84.02446 54.66438       25.88732 63.24246 27.23441 55.39111 16.27879 7.851353       31.72873 
1 1 1 -23 25 14 o 44.37657 12.61594 31.23962       26.70151 -116.5486     79.45451 50.05529       28.35036 36.57740 18.36518 52.17574 17.30223 -15.59834      25.23187 
1 1 1 -23 25 15 o 36.98101 12.59722 -7.984583      27.14734 -50.54689     80.43047 -2.512320      28.83976 41.21796 20.31495 32.74407 14.90176 8.473892       25.19443 
1 1 1 -22 0  1  o 294.6487 6.030774 1172.118       47.72186 1203.661      69.11877 1143.385       65.96915 298.4305 8.617662 290.8668 8.439006 -0.000000      0.000000 
1 1 1 -22 0  2  o 252.7411 5.792508 863.7331       39.30367 902.8298      55.88025 825.4551       55.29200 258.4381 8.047722 247.0440 8.333472 -0.000000      0.000000 
1 1 1 -22 0  3  o 106.9593 9.282990 163.8818       24.91003 137.3972      36.33608 187.3655       34.21566 97.65157 14.83321 116.2670 11.16564 -0.000000      0.000000 
1 1 1 -22 0  4  o 242.8866 5.902686 798.1459       38.49990 790.1859      54.37190 806.1502       54.52259 241.6634 8.378483 244.1098 8.316720 -0.000000      0.000000 
1 1 1 -22 0  5  o 258.8027 5.740399 906.1769       39.88928 924.8297      55.83093 886.7271       57.01151 261.5565 7.943899 256.0489 8.288738 -0.000000      0.000000 
1 1 1 -22 0  6  o 120.3429 8.115518 200.5356       25.62720 198.3897      34.55768 203.1577       38.20012 119.7748 10.92402 120.9111 12.00467 -0.000000      0.000000 
1 1 1 -22 0  7  o 159.0767 6.481967 344.9651       26.88653 346.0159      34.51204 343.3427       42.88365 159.5944 8.078231 158.5590 10.13932 -0.000000      0.000000 
1 1 1 -22 0  8  o 142.7019 6.685883 275.8254       25.10949 263.6837      32.69801 293.2762       39.20023 138.9978 8.817706 146.4061 10.05247 -0.000000      0.000000 
1 1 1 -22 0  9  o 320.4109 5.775093 1387.530       49.68616 1397.409      68.66373 1376.671       71.98775 321.6417 7.939075 319.1801 8.389152 -0.000000      0.000000 
1 1 1 -22 0  10 o 132.4861 6.440304 240.5390       22.40500 242.7536      29.44331 237.4925       34.53268 133.4073 8.269216 131.5650 9.875734 -0.000000      0.000000 
1 1 1 -22 0  11 o 19.48058 9.714169 -34.45504      20.39089 -24.49037     26.71032 -48.37458      31.56895 19.98705 13.90986 18.97410 13.56378 -0.000000      0.000000 
1 1 1 -22 0  12 o 146.9139 6.277576 292.1111       24.53076 265.0351      33.09643 325.1189       36.54245 139.3286 8.905221 154.4992 8.850360 -0.000000      0.000000 
1 1 1 -22 0  13 o 421.9047 6.914769 2405.542       78.45710 2415.539      111.5200 2395.745       110.3987 422.7691 9.808315 421.0402 9.749516 -0.000000      0.000000 
1 1 1 -22 0  14 o 243.8284 5.615487 793.4532       36.43710 880.5837      56.40181 731.0417       47.73537 255.1604 8.228498 232.4965 7.643730 -0.000000      0.000000 
1 1 1 -22 0  15 o 271.9916 5.808910 997.2084       42.34267 1038.619      62.66004 962.4071       57.44270 277.1595 8.413647 266.8236 8.011509 -0.000000      0.000000 
1 1 1 -22 0  16 o 233.6545 6.334940 732.3940       39.39052 792.4548      60.56510 688.3636       51.85649 241.8527 9.331656 225.4563 8.570069 -0.000000      0.000000 
1 1 1 -22 0  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  18 o 99.44551 13.50653 146.5464       32.02794 125.7506      43.24965 171.7990       47.65945 90.26472 20.40063 108.6263 17.70649 -0.000000      0.000000 
1 1 1 -22 0  19 o 460.8979 7.624623 2871.853       94.45947 2940.690      132.6221 2800.979       134.5709 466.5483 10.56914 455.2476 10.99240 -0.000000      0.000000 
1 1 1 -22 0  20 o 167.0173 7.384036 378.1394       29.88885 374.6723      35.47472 386.6227       55.49004 166.1592 7.970676 167.8755 12.43239 -0.000000      0.000000 
1 1 1 -22 0  21 o 261.4557 6.325521 939.9591       43.02868 993.1418      55.40539 859.1359       68.30221 271.1384 7.602396 251.7730 10.11199 -0.000000      0.000000 
1 1 1 -22 0  22 o 486.7470 7.997702 3192.006       103.8901 3105.243      137.7918 3306.299       158.1485 479.2241 10.69029 494.2699 11.89834 -0.000000      0.000000 
1 1 1 -22 0  23 o 47.25767 16.86631 45.40319       27.12566 53.15128      31.30061 22.03119       54.36299 52.61755 22.02912 41.89778 25.54619 -0.000000      0.000000 
1 1 1 -22 0  24 o 32.19596 14.74407 1.378827       28.08942 4.215129      33.48502 -5.357119      51.60283 29.95984 19.03407 34.43209 22.52230 -0.000000      0.000000 
1 1 1 -22 0  25 f 217.9881 6.511691 656.0575       37.37511 725.8369      50.26374 569.7618       55.89662 231.4552 8.087391 204.5211 10.20797 -0.000000      0.000000 
1 1 1 -22 0  26 f 217.1452 7.270512 641.4501       42.06638 733.8113      60.94080 557.3843       58.13970 232.2731 9.783211 202.0173 10.75780 -0.000000      0.000000 
1 1 1 -22 0  27 o 33.64273 15.85114 -21.90237      39.60308 8.592785      56.89825 -50.55938      55.15678 38.89482 24.75038 28.39064 19.81043 -0.000000      0.000000 
1 1 1 -22 0  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  29 o 126.1607 15.29329 253.3475       43.16157 203.2616      69.21851 285.2113       55.20940 110.9381 26.72353 141.3833 14.87922 -0.000000      0.000000 
1 1 1 -22 0  30 o 29.19724 14.19518 -29.39125      36.25649 -26.66659     53.57608 -31.69329      49.24600 30.31190 20.74114 28.08257 19.38601 -0.000000      0.000000 
1 1 1 -22 0  31 f 32.35386 15.17185 -23.99070      37.94905 -82.47363     55.58837 27.05557       51.93395 24.45770 17.56673 40.25002 24.74167 -0.000000      0.000000 
1 1 1 -22 0  32 o 40.87793 18.08387 28.69188       40.53045 33.18462      62.23834 25.38365       53.40721 42.53809 26.56526 39.21778 24.54368 -0.000000      0.000000 
1 1 1 -22 0  33 o 176.7801 10.34540 474.4646       46.67951 381.8286      69.32785 551.2910       63.13541 157.7802 16.79708 195.7799 12.08169 -0.000000      0.000000 
1 1 1 -22 2  1  o 516.2117 5.885291 3596.340       81.79835 3571.623      114.8171 3621.814       116.5634 514.4160 8.289123 518.0073 8.356855 -3.591309      11.77058 
1 1 1 -22 2  2  o 288.2444 4.190760 1118.720       32.50521 1153.926      47.02189 1086.498       44.98440 292.5804 5.968587 283.9084 5.884374 8.671936       8.381520 
1 1 1 -22 2  3  o 57.87249 10.84659 46.22659       17.30054 58.09322      25.70174 36.39523       23.39406 64.16150 15.12376 51.58349 15.55205 12.57801       21.69319 
1 1 1 -22 2  4  o 182.3914 4.338387 448.6846       21.29807 435.8388      30.20749 461.3827       30.03332 179.7901 6.239727 184.9927 6.029278 -5.202637      8.676773 
1 1 1 -22 2  5  o 238.2845 3.954995 763.6256       25.33007 736.8995      34.58565 794.5472       37.20149 233.8036 5.493653 242.7654 5.691020 -8.961746      7.909990 
1 1 1 -22 2  6  o 320.1635 4.208337 1382.011       36.27688 1407.315      51.53102 1357.150       51.07848 323.0709 5.923624 317.2562 5.979220 5.814758       8.416674 
1 1 1 -22 2  7  o 131.6161 5.049001 233.9000       17.84957 254.9852      25.41836 213.3865       25.07142 137.4831 6.866175 125.7491 7.404411 11.73395       10.09800 
1 1 1 -22 2  8  o 646.3698 7.043425 5649.047       122.5876 5637.604      173.0598 5660.571       173.6719 645.7148 9.953410 647.0246 9.968399 -1.309753      14.08685 
1 1 1 -22 2  9  o 319.7400 4.075434 1378.468       35.08670 1376.737      49.78603 1380.176       49.45578 319.5387 5.786297 319.9413 5.740681 -0.4026184     8.150868 
1 1 1 -22 2  10 o 250.4945 3.733327 845.6888       25.17817 858.2494      35.95307 833.6002       35.27132 252.3186 5.291798 248.6704 5.267619 3.648270       7.466654 
1 1 1 -22 2  11 o 63.19295 9.068626 56.57689       15.10857 38.67961      21.60322 73.71141       21.13786 52.58846 14.69031 73.79743 10.63742 -21.20897      18.13725 
1 1 1 -22 2  12 o 478.5300 5.380948 3087.063       69.25288 3171.930      100.9050 3011.490       95.21884 484.7188 7.731070 472.3412 7.486584 12.37769       10.76190 
1 1 1 -22 2  13 o 418.8277 4.871332 2365.358       54.90601 2403.953      79.23492 2329.706       76.15431 422.1019 6.971334 415.5534 6.805880 6.548462       9.742663 
1 1 1 -22 2  14 o 150.4043 4.968158 308.0174       19.90349 281.3998      29.60485 329.9714       26.88663 144.3925 7.614388 156.4161 6.383688 -12.02357      9.936316 
1 1 1 -22 2  15 o 585.2735 6.457642 4627.693       101.7639 4598.543      143.0410 4657.568       144.8071 583.4135 9.105433 587.1335 9.159455 -3.720093      12.91528 
1 1 1 -22 2  16 o 248.3676 4.250956 826.1732       28.33213 749.7542      38.34504 918.0534       42.04552 235.8024 6.039173 260.9329 5.984220 -25.13048      8.501911 
1 1 1 -22 2  17 o 383.9075 4.831429 1977.879       49.73226 1883.665      66.74296 2095.487       74.57030 373.7035 6.632769 394.1116 7.026892 -20.40805      9.662859 
1 1 1 -22 2  18 o 304.7782 4.410892 1236.444       35.61160 1169.250      45.86531 1338.444       56.50905 294.5155 5.783526 315.0409 6.661433 -20.52536      8.821783 
1 1 1 -22 2  19 o 297.6309 4.402022 1193.925       35.03550 1191.671      46.85569 1196.783       52.76426 297.3353 5.852380 297.9264 6.577297 -0.5911560     8.804044 
1 1 1 -22 2  20 o 278.1653 4.370921 1041.654       32.60339 1027.459      44.01084 1058.918       48.53705 276.0834 5.920195 280.2473 6.432037 -4.163879      8.741842 
1 1 1 -22 2  21 o 230.0387 5.800407 713.3234       35.92880 713.3234      35.92880 0.000000       0.000000 230.0387 5.800407 ?        ?        ?              ?        
1 1 1 -22 2  22 o 129.9236 5.718583 228.7644       19.94507 243.7387      27.82380 212.9368       28.60561 134.3323 7.692237 125.5149 8.463939 8.817398       11.43717 
1 1 1 -22 2  23 o 83.54544 8.518083 94.84306       19.14331 100.6718      27.32711 89.22637       26.82532 86.08199 11.78957 81.00889 12.29784 5.073105       17.03617 
1 1 1 -22 2  24 o 92.07127 8.038730 114.6110       19.83367 122.4149      29.86720 108.4550       26.52703 94.82948 11.69682 89.31306 11.03037 5.516411       16.07746 
1 1 1 -22 2  25 o 78.01531 9.873196 84.61337       19.95210 84.77877      31.06165 84.49718       26.03282 77.29265 15.46456 78.73798 12.27873 -1.445328      19.74639 
1 1 1 -22 2  26 o 192.6825 5.638914 503.8298       28.94009 498.8481      44.17845 507.5744       38.30253 191.7500 8.556415 193.6150 7.346915 -1.865051      11.27783 
1 1 1 -22 2  27 o 33.13569 11.24178 -57.74141      28.84739 -39.60315     42.48533 -73.25710      39.29404 36.50969 17.12094 29.76169 14.57339 6.747992       22.48355 
1 1 1 -22 2  28 o 731.5939 11.58128 7263.521       228.1446 0.000000      0.000000 7263.521       228.1446 ?        ?        731.5939 11.58128 ?              ?        
1 1 1 -22 2  29 o 99.50824 10.98427 140.4961       29.42946 140.5702      41.38485 140.4203       41.85828 99.56670 15.43632 99.44978 15.63127 0.1169205      21.96853 
1 1 1 -22 2  30 o 63.34963 13.13419 60.36333       25.09083 35.93660      35.23037 85.50574       35.74275 52.05911 19.13714 74.64014 17.99437 -22.58103      26.26837 
1 1 1 -22 2  31 o 43.12001 12.94913 10.48530       26.22159 7.052878      36.91593 13.98053       37.25220 42.05082 18.07976 44.18921 18.54298 -2.138386      25.89826 
1 1 1 -22 2  32 o 50.43121 14.32439 33.49187       29.75451 27.29222      45.28403 38.20197       39.47087 49.36666 20.55893 51.49575 19.95202 -2.129089      28.64878 
1 1 1 -22 2  33 o 111.8611 10.75384 202.4786       31.56004 183.7379      48.36365 216.3776       41.65024 104.9190 17.11912 118.8032 13.01985 -13.88416      21.50769 
1 1 1 -22 4  1  o 140.1290 5.383743 265.5952       20.25285 287.2280      28.50233 243.5335       28.78344 145.9206 7.254048 134.3375 7.957233 11.58308       10.76749 
1 1 1 -22 4  2  o 81.47467 7.912897 88.76701       17.24402 98.55496      26.30987 81.39588       22.83176 85.35967 11.44676 77.58968 10.92828 7.769997       15.82579 
1 1 1 -22 4  3  f 382.5999 4.723670 1972.763       48.64832 1933.720      67.75471 2014.309       69.89336 378.6977 6.644518 386.5020 6.715847 -7.804352      9.447339 
1 1 1 -22 4  4  o 87.66584 10.33873 103.8620       24.40513 0.000000      0.000000 103.8620       24.40513 ?        ?        87.66584 10.33873 ?              ?        
1 1 1 -22 4  5  o 171.5014 4.346893 395.7692       20.02135 385.9788      27.20682 407.3337       29.56942 169.1999 5.971651 173.8029 6.318331 -4.603043      8.693787 
1 1 1 -22 4  6  o 269.9523 3.992209 981.8110       28.99941 965.9513      40.15234 999.1044       41.92799 267.6797 5.570729 272.2249 5.719957 -4.545166      7.984418 
1 1 1 -22 4  7  o 263.4979 3.901309 935.5534       27.67348 916.7213      38.61773 955.4320       39.67616 260.7744 5.499692 266.2213 5.534820 -5.446808      7.802618 
1 1 1 -22 4  8  o 210.7443 3.847918 598.7593       21.83275 603.6207      30.70871 593.7905       31.04640 211.6119 5.389372 209.8767 5.493683 1.735184       7.695836 
1 1 1 -22 4  9  o 336.9097 4.230388 1526.599       38.29317 1586.991      56.43666 1475.074       52.12895 343.0578 6.109569 330.7617 5.853025 12.29617       8.460776 
1 1 1 -22 4  10 o 27.60131 8.948140 -16.71756      15.31820 -27.26866     22.62180 -7.782890      20.81697 25.75737 12.20476 29.44526 13.08895 -3.687891      17.89628 
1 1 1 -22 4  11 o 86.14105 7.098814 100.4154       16.39643 99.43694      24.26394 101.2376       22.24366 85.73669 10.51020 86.54541 9.545065 -0.8087158     14.19763 
1 1 1 -22 4  12 o 298.0700 4.007697 1196.773       32.12035 1216.349      46.84685 1179.405       44.12527 300.3593 5.792366 295.7807 5.540310 4.578552       8.015394 
1 1 1 -22 4  13 o 58.09869 9.724999 50.18341       17.12386 9.968239      26.63707 78.50905       22.35534 40.02541 16.10917 76.17197 10.89940 -36.14656      19.45000 
1 1 1 -22 4  14 o 259.9624 5.739434 911.1208       40.17566 0.000000      0.000000 911.1208       40.17566 ?        ?        259.9624 5.739434 ?              ?        
1 1 1 -22 4  15 o 448.3887 5.229457 2710.477       63.10181 2638.261      87.43206 2788.989       91.16373 442.1683 7.343442 454.6090 7.447331 -12.44073      10.45891 
1 1 1 -22 4  16 o 732.7803 7.952274 7267.461       156.9047 7325.385      222.9105 7210.580       220.8967 735.6718 11.25287 729.8887 11.23956 5.783020       15.90455 
1 1 1 -22 4  17 o 158.2728 5.692477 366.8856       22.20926 441.7833      28.36238 248.1630       35.70880 181.0281 5.818530 135.5175 9.785801 45.51060       11.38495 
1 1 1 -22 4  18 o 398.2625 7.223309 2139.358       77.46204 0.000000      0.000000 2139.358       77.46204 ?        ?        398.2625 7.223309 ?              ?        
1 1 1 -22 4  19 o 72.13896 17.90761 73.60699       34.62301 0.000000      0.000000 73.60699       34.62301 ?        ?        72.13896 17.90761 ?              ?        
1 1 1 -22 4  20 o 354.3287 4.692060 1686.816       44.65403 1864.206      65.18993 1530.011       61.29092 371.8252 6.511158 336.8323 6.757703 34.99295       9.384121 
1 1 1 -22 4  21 o 206.3090 4.563441 575.7795       25.12357 588.3972      33.57188 559.7186       37.87650 208.9101 5.968055 203.7079 6.905237 5.202255       9.126883 
1 1 1 -22 4  22 o 125.8083 6.022679 214.1809       20.38973 209.7644      29.15899 218.4068       28.52241 124.5264 8.696161 127.0902 8.334713 -2.563820      12.04536 
1 1 1 -22 4  23 o 53.22053 11.65618 39.04361       18.46627 33.47431      28.17328 43.23848       24.45100 51.00491 17.25197 55.43616 15.67914 -4.431252      23.31236 
1 1 1 -22 4  24 o 79.11118 9.842727 83.27662       20.14240 108.9540      32.60350 67.42667       25.61551 89.26842 13.56385 68.95393 14.26671 20.31450       19.68545 
1 1 1 -22 4  25 o 41.65276 11.95179 10.45443       20.41255 11.57476      33.18352 9.772422       25.89055 44.01506 17.88613 39.29045 15.85773 4.724602       23.90358 
1 1 1 -22 4  26 o 182.8861 6.077069 458.5811       29.22473 430.0478      45.80002 478.1780       37.95626 177.8688 9.562743 187.9034 7.501800 -10.03455      12.15414 
1 1 1 -22 4  27 o 29.18745 10.25558 -90.87232      31.00694 -102.8403     47.20604 -81.79059      41.12174 29.68268 14.78957 28.69222 14.21183 0.9904556      20.51116 
1 1 1 -22 4  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 4  29 o 62.65904 14.49597 55.12204       28.30400 74.71084      43.38462 40.60649       37.34640 70.09151 21.18939 55.22657 19.78744 14.86495       28.99195 
1 1 1 -22 4  30 o 37.05793 11.83831 -15.61184      25.63084 -31.55865     36.77932 -0.5551744     35.73809 33.89641 15.90643 40.21944 17.53762 -6.323036      23.67663 
1 1 1 -22 4  31 o 31.89284 10.76640 -51.87519      27.44245 -102.1353     41.78978 -13.76947      36.38760 27.25147 13.62997 36.53421 16.66990 -9.282742      21.53280 
1 1 1 -22 4  32 o 60.48206 12.83861 61.74211       27.72694 2.489333      44.15117 100.3282       35.62898 42.46331 18.95604 78.50082 17.32016 -36.03750      25.67721 
1 1 1 -22 4  33 o 45.46030 14.36582 22.26305       34.51299 1.489174      67.73469 29.54767       40.11031 45.40637 21.39471 45.51423 19.17741 -0.1078568     28.73164 
1 1 1 -22 6  1  o 279.4826 4.186397 1053.683       31.50293 1049.795      44.75643 1057.501       44.35011 278.9682 5.958231 279.9970 5.882445 -1.028870      8.372794 
1 1 1 -22 6  2  o 494.8316 5.679275 3304.318       75.67127 3296.524      106.7887 3312.178       107.2434 494.2466 8.024135 495.4166 8.039272 -1.169983      11.35855 
1 1 1 -22 6  3  o 123.2102 5.601843 205.0928       18.55191 191.2093      26.25621 218.9344       26.21656 119.0315 8.191937 127.3888 7.642953 -8.357269      11.20369 
1 1 1 -22 6  4  o 388.3451 4.742527 2031.246       49.52937 1990.278      68.08063 2077.309       72.19010 384.2012 6.580842 392.4890 6.830724 -8.287842      9.485055 
1 1 1 -22 6  5  o 142.2192 4.838417 266.7943       18.32315 230.2187      23.90361 318.9056       28.53216 130.6603 6.794172 153.7781 6.890598 -23.11778      9.676834 
1 1 1 -22 6  6  o 267.9893 3.986479 967.9775       28.72201 966.5261      39.51831 969.6026       41.81720 267.7851 5.480606 268.1935 5.790598 -0.4083557     7.972959 
1 1 1 -22 6  7  o 108.5514 5.801971 158.0378       16.63921 153.8828      21.41422 164.3687       26.43326 106.7889 7.447196 110.3139 8.898919 -3.525002      11.60394 
1 1 1 -22 6  8  o 222.1870 5.539751 665.5107       33.14303 0.000000      0.000000 665.5107       33.14303 ?        ?        222.1870 5.539751 ?              ?        
1 1 1 -22 6  9  o 303.4997 4.100721 1242.458       33.49719 1213.605      47.69654 1270.539       47.05435 300.0133 5.904225 306.9860 5.692431 -6.972717      8.201442 
1 1 1 -22 6  10 o 28.34376 9.214175 -22.76896      16.18552 -4.375535     25.10965 -35.84424      21.17068 33.86680 14.73511 22.82071 11.06709 11.04609       18.42835 
1 1 1 -22 6  11 o 282.8053 4.001403 1076.983       30.36958 1093.222      44.96535 1063.361       41.18176 284.7492 5.864515 280.8614 5.445397 3.887817       8.002806 
1 1 1 -22 6  12 o 308.5744 4.209956 1285.064       34.88595 1266.813      51.04966 1301.055       47.78442 306.4986 6.185587 310.6502 5.712566 -4.151581      8.419911 
1 1 1 -22 6  13 o 270.8373 4.115286 988.3181       29.98098 927.0819      41.84462 1052.914       42.97709 262.2154 5.926497 279.4593 5.711300 -17.24396      8.230572 
1 1 1 -22 6  14 o 424.8754 4.982994 2434.460       56.98809 2472.374      81.90088 2398.875       79.34646 428.0736 7.105371 421.6773 6.988178 6.396301       9.965988 
1 1 1 -22 6  15 o 362.6735 4.515019 1747.610       43.57180 1614.809      56.63345 1940.240       68.20782 346.0669 6.077564 379.2800 6.678683 -33.21313      9.030038 
1 1 1 -22 6  16 o 291.0433 5.670570 1141.781       44.43935 1141.781      44.43935 0.000000       0.000000 291.0433 5.670570 ?        ?        ?              ?        
1 1 1 -22 6  17 o 126.0666 5.706961 196.4279       18.31224 163.0965      21.94534 272.8487       33.22932 109.9596 7.411837 142.1735 8.679993 -32.21394      11.41392 
1 1 1 -22 6  18 o 131.9242 6.241283 244.0061       19.95940 257.2726      23.92048 213.5994       36.21412 138.1377 6.430937 125.7107 10.69848 12.42696       12.48257 
1 1 1 -22 6  19 o 45.28334 11.29911 24.23193       18.11609 36.20458      21.60166 -4.151236      33.26001 51.14157 14.82500 39.42511 17.05575 11.71647       22.59821 
1 1 1 -22 6  20 o 395.0003 4.939876 2089.479       52.23288 1975.440      69.50208 2237.478       79.17683 382.7283 6.744097 407.2722 7.219879 -24.54388      9.879752 
1 1 1 -22 6  21 o 108.3497 6.650482 157.7711       19.07108 120.8910      25.81882 202.0541       28.29165 94.46568 10.15030 122.2337 8.595757 -27.76797      13.30096 
1 1 1 -22 6  22 o 135.4706 5.761565 248.4650       20.84467 291.2623      30.00062 208.5208       28.98332 146.8017 7.589543 124.1394 8.670718 22.66232       11.52313 
1 1 1 -22 6  23 o 195.1217 4.669261 517.8185       24.26179 488.5490      36.54237 540.8919       32.44467 190.0999 7.138901 200.1434 6.020307 -10.04355      9.338523 
1 1 1 -22 6  24 o 206.3361 4.638864 575.1613       25.00516 575.5198      40.62134 574.9425       31.72904 206.2994 7.312618 206.3728 5.709803 -0.7341003E-01 9.277728 
1 1 1 -22 6  25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  26 o 37.37572 11.96634 -31.14570      25.46267 5.564151      42.34830 -51.93182      31.86628 46.67102 19.68715 28.08042 13.60841 18.59060       23.93267 
1 1 1 -22 6  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  28 o 31.92115 11.08155 -77.47664      33.07009 -118.0815     53.04059 -51.65388      42.29809 31.00953 15.48634 32.83278 15.85484 -1.823250      22.16309 
1 1 1 -22 6  29 o 95.86681 14.46656 132.2008       37.34367 0.000000      0.000000 132.2008       37.34367 ?        ?        95.86681 14.46656 ?              ?        
1 1 1 -22 6  30 o 55.23249 13.88612 41.00520       26.14455 59.94219      40.13750 27.04897       34.45711 62.32481 20.58338 48.14017 18.64462 14.18463       27.77224 
1 1 1 -22 6  31 o 50.52627 15.10172 22.34682       30.97904 38.54323      63.25916 17.23716       35.53123 56.98949 24.05192 44.06305 18.26888 12.92644       30.20343 
1 1 1 -22 6  32 o 59.21476 14.93658 63.82762       29.63019 49.54198      57.47783 68.99799       34.57893 55.49170 23.14033 62.93783 18.89261 -7.446133      29.87316 
1 1 1 -22 6  33 o 38.06873 12.96413 -43.27445      33.94861 38.08111      61.79799 -78.43797      40.62814 48.94738 22.09056 27.19007 13.57505 21.75731       25.92826 
1 1 1 -22 8  1  o 86.59413 8.633875 107.5840       18.74599 80.35540      28.20441 129.1310       25.08977 75.53966 14.39174 97.64860 9.542171 -22.10894      17.26775 
1 1 1 -22 8  2  o 299.7583 4.310734 1211.843       34.78368 1235.201      49.94545 1189.845       48.47079 302.5580 6.130611 296.9585 6.061791 5.599518       8.621468 
1 1 1 -22 8  3  o 420.2014 5.039204 2376.948       56.94066 2472.003      83.19187 2293.170       78.10147 428.0788 7.217284 412.3239 7.034566 15.75491       10.07841 
1 1 1 -22 8  4  o 114.9806 5.903493 178.6979       18.24553 183.8870      25.30338 173.0778       26.33359 116.7320 8.050175 113.2292 8.637108 3.502831       11.80699 
1 1 1 -22 8  5  o 543.4318 6.111077 3986.170       89.41777 3974.158      125.7402 3998.459       127.1838 542.6094 8.606044 544.2541 8.678539 -1.644653      12.22215 
1 1 1 -22 8  6  o 282.0808 4.090535 1073.216       31.04216 1093.041      43.24939 1052.152       44.58139 284.7774 5.640156 279.3843 5.926089 5.393066       8.181069 
1 1 1 -22 8  7  o 282.5087 4.037592 1074.547       30.67624 1053.155      42.17965 1098.565       44.69504 279.5332 5.603845 285.4843 5.814251 -5.951019      8.075184 
1 1 1 -22 8  8  o 312.6510 4.181523 1317.379       35.18441 1327.224      50.66684 1308.211       48.89688 313.7732 5.996868 311.5288 5.829074 2.244446       8.363046 
1 1 1 -22 8  9  o 403.8904 4.864675 2200.218       52.85240 2197.160      76.44817 2203.018       73.15003 403.6056 7.034392 404.1753 6.721425 -0.5697327     9.729349 
1 1 1 -22 8  10 o 424.8015 4.991915 2434.816       57.07817 2404.630      81.54838 2463.806       79.91779 422.2067 7.173100 427.3962 6.944314 -5.189575      9.983829 
1 1 1 -22 8  11 f 89.56287 7.418640 106.3213       17.30508 116.6711      28.90417 100.5386       21.60517 92.85327 11.56059 86.27247 9.300411 6.580803       14.83728 
1 1 1 -22 8  12 o 307.2336 4.179186 1266.863       34.41851 1329.572      51.63153 1216.709       46.17458 314.0323 6.106006 300.4348 5.707808 13.59753       8.358372 
1 1 1 -22 8  13 o 326.8662 4.229986 1436.997       37.18386 1510.292      54.24810 1372.044       51.06773 334.7069 6.019168 319.0255 5.944807 15.68143       8.459971 
1 1 1 -22 8  14 o 442.8482 5.127909 2644.817       61.14190 2689.017      87.12640 2601.930       85.82373 446.4936 7.246882 439.2028 7.257030 7.290741       10.25582 
1 1 1 -22 8  15 o 247.2724 4.052662 807.6967       26.39874 750.4418      33.51485 901.2827       42.84859 235.9793 5.274486 258.5656 6.154355 -22.58629      8.105324 
1 1 1 -22 8  16 o 731.0518 11.26075 7226.528       221.6659 0.000000      0.000000 7226.528       221.6659 ?        ?        731.0518 11.26075 ?              ?        
1 1 1 -22 8  17 o 145.5693 7.940078 285.9242       31.12275 0.000000      0.000000 285.9242       31.12275 ?        ?        145.5693 7.940078 ?              ?        
1 1 1 -22 8  18 o 236.2429 4.214999 730.4524       26.23627 653.7045      33.20520 857.9830       42.80360 220.2251 5.599585 252.2607 6.301548 -32.03561      8.429998 
1 1 1 -22 8  19 o 263.2867 4.184460 929.4295       29.56612 874.1348      39.86597 997.0193       44.07590 254.6382 5.814272 271.9352 6.019389 -17.29698      8.368919 
1 1 1 -22 8  20 o 209.5278 6.182669 592.4702       34.88197 0.000000      0.000000 592.4702       34.88197 ?        ?        209.5278 6.182669 ?              ?        
1 1 1 -22 8  21 f 151.1239 5.414704 307.1766       21.82510 252.3770      29.79162 370.6557       32.06424 136.6123 8.098802 165.6354 7.189263 -29.02307      10.82941 
1 1 1 -22 8  22 o 431.7016 7.460537 2520.373       86.72356 2520.373      86.72356 0.000000       0.000000 431.7016 7.460537 ?        ?        ?              ?        
1 1 1 -22 8  23 o 121.8237 6.420349 192.5481       20.53383 266.2705      32.83358 145.1930       26.31491 140.1871 8.698148 103.4602 9.445937 36.72688       12.84070 
1 1 1 -22 8  24 o 151.4213 7.670309 310.4691       31.27398 0.000000      0.000000 310.4691       31.27398 ?        ?        151.4213 7.670309 ?              ?        
1 1 1 -22 8  25 o 212.0341 5.594954 616.6609       30.79737 579.4086      49.93701 639.5270       39.12370 206.6107 8.976070 217.4574 6.681630 -10.84665      11.18991 
1 1 1 -22 8  26 o 43.00227 13.56870 -18.22285      33.89494 -85.85615     60.07838 13.35620       41.05230 38.71598 18.74385 47.28855 19.62415 -8.572567      27.13741 
1 1 1 -22 8  27 o 82.59901 21.20844 100.6892       47.41336 0.000000      0.000000 100.6892       47.41336 ?        ?        82.59901 21.20844 ?              ?        
1 1 1 -22 8  28 o 52.66846 13.66344 28.34601       31.44666 -93.55918     66.11617 63.98611       35.74918 40.21817 19.51644 65.11877 19.12764 -24.90060      27.32688 
1 1 1 -22 8  29 o 46.65220 14.43412 2.513365       29.20889 17.07678      61.56494 -1.716992      33.18107 54.74978 23.43845 38.55462 16.85272 16.19517       28.86824 
1 1 1 -22 8  30 o 52.35056 15.47171 29.66981       30.79602 7.024040      76.94777 33.98893       33.60473 54.85747 24.71388 49.84366 18.62038 5.013809       30.94341 
1 1 1 -22 8  31 o 69.84014 14.15430 96.82942       30.47541 27.87174      67.30390 114.6143       34.18018 53.92887 23.77430 85.75141 15.36747 -31.82254      28.30859 
1 1 1 -22 8  32 o 47.02736 14.41989 28.89044       32.37776 6.263660      65.99160 36.06406       37.15750 46.42851 21.62935 47.62620 19.07627 -1.197693      28.83977 
1 1 1 -22 10 1  o 126.1176 5.705672 218.5409       18.83018 200.2361      29.69696 230.8489       24.35138 121.5458 9.073791 130.6893 6.919905 -9.143524      11.41134 
1 1 1 -22 10 2  o 182.4705 4.410378 450.8398       21.58863 431.1035      31.49894 468.3236       29.64703 178.6674 6.547374 186.2735 5.910804 -7.606125      8.820755 
1 1 1 -22 10 3  o 279.2556 4.160150 1052.189       31.27634 1051.847      43.81431 1052.545       44.66069 279.2149 5.827656 279.2963 5.938502 -0.8132935E-01 8.320300 
1 1 1 -22 10 4  o 255.0504 4.046593 870.7490       27.60233 824.3566      36.58958 932.0167       42.04842 247.2437 5.496025 262.8571 5.940821 -15.61340      8.093185 
1 1 1 -22 10 5  o 313.8794 4.277756 1328.553       36.09961 1333.865      49.75478 1322.648       52.45751 314.5545 5.874292 313.2043 6.220088 1.350189       8.555512 
1 1 1 -22 10 6  o 551.7100 6.210166 4109.432       92.25501 4094.264      130.0077 4124.817       130.9338 550.6871 8.767600 552.7328 8.797376 -2.045654      12.42033 
1 1 1 -22 10 7  o 144.8471 5.027955 283.0507       19.60412 279.6721      27.97517 286.3108       27.48026 143.9938 7.215157 145.7005 7.004488 -1.706772      10.05591 
1 1 1 -22 10 8  o 169.7823 6.025952 388.5880       27.54873 0.000000      0.000000 388.5880       27.54873 ?        ?        169.7823 6.025952 ?              ?        
1 1 1 -22 10 9  f 284.9911 4.215682 1096.987       32.24497 1064.923      47.15052 1125.157       44.19534 281.0553 6.230335 288.9270 5.680741 -7.871704      8.431363 
1 1 1 -22 10 10 o 597.6647 6.602881 4813.990       106.1328 4635.212      145.7744 5015.650       154.8229 585.8987 9.240071 609.4307 9.434684 -23.53198      13.20576 
1 1 1 -22 10 11 o 194.9599 4.154431 509.3355       21.73456 548.9172      32.42011 477.0235       29.29199 201.7957 5.966495 188.1241 5.782573 13.67162       8.308863 
1 1 1 -22 10 12 o 277.7126 4.011759 1039.459       29.97420 1097.450      42.69935 983.1190       42.08711 285.3549 5.557155 270.0702 5.787475 15.28479       8.023518 
1 1 1 -22 10 13 o 389.2579 4.710178 2037.788       49.26354 1966.690      67.08323 2121.012       72.57922 381.9197 6.523167 396.5960 6.796425 -14.67633      9.420356 
1 1 1 -22 10 14 o 308.3555 4.219881 1276.484       34.87622 1230.464      46.78183 1334.062       52.32765 302.1384 5.750266 314.5725 6.177704 -12.43411      8.439762 
1 1 1 -22 10 15 o 193.4741 4.211010 479.7084       20.94580 427.4222      25.49768 588.2171       36.73156 178.0865 5.317242 208.8618 6.531261 -30.77530      8.422021 
1 1 1 -22 10 16 o 228.4608 4.092845 693.6339       24.79419 650.4493      31.97291 758.7794       39.26993 219.6844 5.405047 237.2371 6.147437 -17.55269      8.185690 
1 1 1 -22 10 17 o 52.22155 9.197953 36.41216       17.01302 70.78600      22.00005 -14.72521      26.83360 72.32899 11.29609 32.11412 14.51922 40.21487       18.39591 
1 1 1 -22 10 18 o 237.1302 4.026518 753.1321       25.56017 806.3998      38.73640 712.0538       34.01680 244.4889 5.884054 229.7715 5.498118 14.71747       8.053036 
1 1 1 -22 10 19 o 187.7584 4.422608 476.0021       22.34971 464.7385      31.80981 486.9833       31.40854 185.5555 6.366546 189.9613 6.140436 -4.405792      8.845217 
1 1 1 -22 10 20 o 291.2089 4.359131 1144.804       34.16588 1098.273      47.98771 1192.638       48.65491 285.1974 6.248864 297.2203 6.079456 -12.02295      8.718262 
1 1 1 -22 10 21 o 136.1177 5.723024 249.9744       20.82893 257.6282      31.57702 244.0792       27.71292 137.9179 8.502902 134.3176 7.662421 3.600311       11.44605 
1 1 1 -22 10 22 o 207.7624 4.688948 585.1607       26.06546 564.4977      38.72205 602.2812       35.24680 204.3506 7.037187 211.1743 6.198624 -6.823700      9.377896 
1 1 1 -22 10 23 o 29.57864 10.13551 -54.20436      24.25350 -59.70711     38.76727 -50.66547      31.08907 31.40065 15.16697 27.75663 13.44905 3.644014       20.27102 
1 1 1 -22 10 24 o 78.96519 13.35966 83.91821       27.19144 117.1957      46.44361 66.56214       33.54099 89.92992 19.72245 68.00046 18.02629 21.92947       26.71932 
1 1 1 -22 10 25 o ?        ?        -195.5833      31.99071 -237.2307     50.65820 -167.9576      41.25837 ?        ?        ?        ?        ?              ?        
1 1 1 -22 10 26 o 365.6643 10.47389 741.6152       65.42163 4221.226      228.1509 429.8755       68.28935 554.2404 15.28765 177.0882 14.32122 377.1523       20.94778 
1 1 1 -22 10 27 o 50.80401 14.33940 20.03758       32.39703 -95.01094     73.82980 47.47309       36.05352 43.56195 21.01361 58.04607 19.51671 -14.48413      28.67881 
1 1 1 -22 10 28 o 76.71348 13.72069 107.3173       31.02482 22.74347      62.60058 134.8537       35.72020 56.10764 23.81642 97.31931 13.63112 -41.21167      27.44138 
1 1 1 -22 10 29 o 70.10003 15.76732 76.50628       28.83654 88.29530      66.96290 73.82233       31.95091 71.54085 26.37086 68.65921 17.29195 2.881638       31.53465 
1 1 1 -22 10 30 o 42.16692 13.20857 -2.555892      31.75236 -170.9681     82.16639 27.00917       34.42682 37.69695 18.89202 46.63689 18.46503 -8.939934      26.41715 
1 1 1 -22 10 31 o 63.07974 14.34236 82.38172       30.08062 7.298299      79.22894 95.02766       32.51526 50.33435 23.53249 75.82513 16.40228 -25.49077      28.68472 
1 1 1 -22 10 32 o 38.40329 13.00732 -7.484735      31.19054 -54.93781     82.53384 0.4215537      33.68886 41.33487 20.41142 35.47171 16.12872 5.863167       26.01464 
1 1 1 -22 12 1  o 186.5557 4.936242 471.2854       24.44055 465.6854      37.78712 475.3130       32.04632 185.5349 7.563708 187.5764 6.344781 -2.041428      9.872483 
1 1 1 -22 12 2  o 288.4433 4.318834 1123.711       33.52558 1123.524      48.20679 1123.886       46.65590 288.4051 6.207574 288.4815 6.006275 -0.7647705E-01 8.637669 
1 1 1 -22 12 3  o 292.3834 4.246818 1154.022       33.42813 1168.958      47.85955 1139.794       46.71042 294.2251 6.040954 290.5417 5.970654 3.683441       8.493635 
1 1 1 -22 12 4  o 131.3347 5.064050 232.0786       17.84494 206.2933      24.43302 261.5588       26.12496 123.5375 7.345053 139.1318 6.973421 -15.59430      10.12810 
1 1 1 -22 12 5  o 244.3726 4.141127 805.1629       27.21636 793.9188      37.46725 817.7241       39.60080 242.5786 5.736090 246.1665 5.974363 -3.587906      8.282254 
1 1 1 -22 12 6  o 376.3996 6.787052 1912.953       68.78815 0.000000      0.000000 1912.953       68.78815 ?        ?        376.3996 6.787052 ?              ?        
1 1 1 -22 12 7  o 375.7156 4.760299 1904.639       48.12431 1926.005      69.55157 1885.015       66.65678 377.7208 6.838372 373.7105 6.624082 4.010284       9.520598 
1 1 1 -22 12 8  o 96.35989 12.21093 134.3819       22.22345 121.4235      56.02169 136.8019       24.20984 92.10126 22.72839 100.6185 8.935741 -8.517273      24.42186 
1 1 1 -22 12 9  o 333.8349 4.473732 1481.624       39.75553 1639.710      62.11506 1371.931       51.74147 348.6809 6.615845 318.9888 6.023930 29.69211       8.947465 
1 1 1 -22 12 10 f 110.2133 5.365252 168.2721       15.43370 187.0716      20.25429 142.2426       23.83286 117.7850 6.386218 102.6416 8.623219 15.14338       10.73050 
1 1 1 -22 12 11 o 250.4719 4.043678 846.9434       27.19208 863.9296      37.27558 827.6225       39.75485 253.1734 5.467930 247.7703 5.958782 5.403091       8.087357 
1 1 1 -22 12 12 o 162.7892 4.700923 362.6025       19.85036 378.3440      25.22885 337.0199       32.16231 167.5353 5.592522 158.0432 7.557673 9.492111       9.401846 
1 1 1 -22 12 13 o 275.1743 4.110357 1017.648       30.27397 992.9113      40.43799 1049.192       45.66460 271.3993 5.533468 278.9492 6.079546 -7.549896      8.220715 
1 1 1 -22 12 14 o 254.1261 4.162715 864.9598       28.21638 830.0884      37.11387 912.7225       43.43568 248.1213 5.555062 260.1310 6.201134 -12.00972      8.325430 
1 1 1 -22 12 15 o 151.5542 4.889944 313.1807       19.38435 323.8794      24.87687 296.6444       30.92781 154.9369 5.962899 148.1714 7.751778 6.765472       9.779888 
1 1 1 -22 12 16 o 192.6669 4.268588 500.9468       22.10630 501.5999      30.38985 500.2128       32.21606 192.8134 5.853397 192.5204 6.214587 0.2929688      8.537175 
1 1 1 -22 12 17 o 74.02013 9.122156 80.81772       16.95340 33.89874      23.69802 130.0023       24.26344 50.04694 15.75750 97.99331 9.195440 -47.94637      18.24431 
1 1 1 -22 12 18 o 326.3567 4.413131 1439.117       38.69939 1423.572      56.43009 1452.919       53.17338 324.6583 6.455069 328.0551 6.019551 -3.396820      8.826262 
1 1 1 -22 12 19 o 188.8441 4.514723 473.2274       22.49406 523.1550      36.28472 442.0621       28.66743 196.7435 6.849203 180.9448 5.883819 15.79866       9.029447 
1 1 1 -22 12 20 o 148.3551 5.709225 299.4653       22.16952 291.3253      35.56715 304.6372       28.35080 146.5984 9.010242 150.1118 7.014024 -3.513382      11.41845 
1 1 1 -22 12 21 o 38.94770 17.18922 -9.329451      35.28067 -9.329451     35.28067 0.000000       0.000000 38.94770 17.18922 ?        ?        ?              ?        
1 1 1 -22 12 22 o 174.3468 22.62462 431.4663       106.2132 431.4663      106.2132 0.000000       0.000000 174.3468 22.62462 ?        ?        ?              ?        
1 1 1 -22 12 23 o 146.2894 14.68883 321.8169       33.77619 286.3674      100.5462 326.3261       35.86010 137.5683 28.09330 155.0104 8.591464 -17.44211      29.37765 
1 1 1 -22 12 24 o 122.0576 14.34470 337.5208       58.45620 -225.7367     122.9925 501.8860       66.44009 52.29556 25.64403 191.8196 12.86334 -139.5240      28.68941 
1 1 1 -22 12 25 o 57.77639 17.95762 12.56176       45.61277 -77.78451     117.4951 28.59369       49.49458 60.32292 28.34676 55.22986 22.05371 5.093060       35.91525 
1 1 1 -22 12 26 o 91.01216 15.35503 142.2184       31.65997 90.65060      75.75646 153.1310       34.84920 77.27851 28.11477 104.7458 12.35586 -27.46729      30.71005 
1 1 1 -22 12 27 o 48.38247 12.92639 22.52141       27.85234 -94.42760     62.11821 51.94920       31.16014 38.02817 18.55712 58.73677 18.00000 -20.70860      25.85279 
1 1 1 -22 12 28 o 38.54212 13.36716 -40.35650      28.55660 -41.57790     78.45152 -40.16995      30.65994 48.82354 23.01101 28.26070 13.60948 20.56284       26.73433 
1 1 1 -22 12 29 o 116.1506 17.34623 255.2466       32.40096 219.5952      105.8415 258.9331       34.03495 96.61151 33.41845 135.6896 9.315263 -39.07811      34.69246 
1 1 1 -22 12 30 o 40.65020 13.56742 -9.809886      32.96579 -133.1084     95.74737 6.771825       35.11258 41.97797 20.93913 39.32243 17.25841 2.655544       27.13485 
1 1 1 -22 12 31 o 53.27167 15.94725 56.80442       35.81382 65.82219      80.83369 54.60190       39.94875 54.03173 24.72700 52.51160 20.14535 1.520123       31.89451 
1 1 1 -22 14 1  o 115.4656 7.204470 184.6718       21.59112 167.8818      34.65989 195.3190       27.60069 110.9218 11.60451 120.0094 8.541245 -9.087608      14.40894 
1 1 1 -22 14 2  o 111.1859 7.148983 162.7547       20.94137 219.9309      32.80196 123.4182       27.20755 127.1940 9.577446 95.17783 10.61623 32.01620       14.29797 
1 1 1 -22 14 3  o 199.1669 4.558753 535.5995       24.38421 484.1530      33.93200 590.5385       35.06485 189.2603 6.658349 209.0735 6.228588 -19.81316      9.117506 
1 1 1 -22 14 4  o 69.34834 9.664467 68.42004       17.53851 52.87140      25.51547 82.34610       24.14744 60.91268 15.51407 77.78400 11.52915 -16.87132      19.32893 
1 1 1 -22 14 5  o 51.96484 11.16879 32.39870       19.15032 62.16159      27.77463 5.427621       26.43992 65.96072 15.83781 37.96896 15.75217 27.99176       22.33757 
1 1 1 -22 14 6  o 193.3670 4.591910 504.6440       23.89556 490.0755      33.12543 520.4498       34.50354 190.4638 6.459006 196.2702 6.528689 -5.806366      9.183820 
1 1 1 -22 14 7  o 349.5887 6.414793 1650.710       60.38421 0.000000      0.000000 1650.710       60.38421 ?        ?        349.5887 6.414793 ?              ?        
1 1 1 -22 14 8  o 222.0756 3.931877 665.0348       23.49544 700.9427      33.68747 631.0228       32.78601 227.9150 5.489239 216.2362 5.630886 11.67876       7.863753 
1 1 1 -22 14 9  o 293.2748 5.875856 1160.849       46.40120 0.000000      0.000000 1160.849       46.40120 ?        ?        293.2748 5.875856 ?              ?        
1 1 1 -22 14 10 o 501.2563 5.744000 3388.875       77.39036 3247.858      105.6705 3552.017       113.6586 490.0722 8.007743 512.4403 8.237123 -22.36807      11.48800 
1 1 1 -22 14 11 o 457.5358 5.405279 2829.170       66.58645 2787.546      93.41419 2872.164       94.93924 454.1165 7.639452 460.9552 7.648982 -6.838715      10.81056 
1 1 1 -22 14 12 o 92.40825 7.706061 124.1038       17.34905 139.0808      21.32419 94.78049       29.83782 101.4232 7.808212 83.39325 13.28779 18.03000       15.41212 
1 1 1 -22 14 13 o 85.14220 11.58796 140.3901       21.29442 168.7744      24.06403 37.93521       45.71891 111.7055 8.000373 58.57886 21.75126 53.12667       23.17592 
1 1 1 -22 14 14 o 192.7003 4.388453 498.4537       22.59813 478.8898      29.91936 524.4382       34.48109 188.3511 5.899304 197.0495 6.498638 -8.698425      8.776906 
1 1 1 -22 14 15 o 288.3029 4.203903 1119.160       32.51374 1155.891      48.42276 1089.003       43.87554 292.5712 6.146595 284.0346 5.736774 8.536560       8.407806 
1 1 1 -22 14 16 o 264.9507 4.255070 948.4820       30.30006 938.7363      44.09715 957.1987       41.70440 263.6347 6.211902 266.2668 5.816764 -2.632111      8.510139 
1 1 1 -22 14 17 o 33.43416 10.19297 -20.42105      17.79440 17.98543      29.07970 -43.41035      22.49834 44.31618 17.13799 22.55214 11.03975 21.76403       20.38594 
1 1 1 -22 14 18 o 310.1955 4.542838 1294.976       37.68002 1339.568      57.15328 1260.693       50.11324 314.8486 6.741491 305.5424 6.091126 9.306244       9.085676 
1 1 1 -22 14 19 o 69.49448 27.43849 -114.9351      26.76228 45.09113      75.82152 -137.7091      28.60328 69.49448 27.43849 ?        ?        ?              ?        
1 1 1 -22 14 20 o 263.2185 8.224071 892.0186       40.61333 1024.390      111.2522 871.6657       43.62403 272.5371 15.16001 253.8999 6.380870 18.63721       16.44814 
1 1 1 -22 14 21 o 49.21548 15.39031 1.644436       33.73624 -153.6420     101.8051 20.80052       35.75658 50.07181 24.27957 48.35916 18.91952 1.712650       30.78061 
1 1 1 -22 14 22 f 35.73063 13.25112 -145.3627      38.21726 -225.6917     117.3979 -135.8409      40.41889 47.16533 23.47142 24.29594 12.30697 22.86939       26.50225 
1 1 1 -22 14 23 o 427.3240 10.66811 2476.010       122.7519 0.000000      0.000000 2476.010       122.7519 ?        ?        427.3240 10.66811 ?              ?        
1 1 1 -22 14 24 o 42.57899 15.06233 -50.86052      35.58948 -162.0713     125.1611 -41.07762      37.12185 52.76210 25.87206 32.39589 15.43152 20.36621       30.12466 
1 1 1 -22 14 25 o 44.93955 14.64821 -6.062373      30.36519 -43.27215     82.66940 -0.2592566     32.64727 51.32534 24.00920 38.55376 16.78807 12.77158       29.29643 
1 1 1 -22 14 26 o 63.00432 14.63366 65.50446       28.15167 -14.71031     77.51049 77.69376       30.21499 53.97033 24.51082 72.03831 15.99362 -18.06798      29.26732 
1 1 1 -22 14 27 o 49.95292 15.11266 23.86384       29.25331 -38.93390     88.10767 31.64406       31.01256 51.60410 24.34118 48.30175 17.91862 3.302353       30.22532 
1 1 1 -22 14 28 o 54.08965 16.65195 32.74186       32.41311 -0.2692342    112.9332 35.70528       33.83672 58.50937 27.58598 49.66994 18.65915 8.839424       33.30390 
1 1 1 -22 14 29 o 38.86123 13.47684 -24.41912      32.15091 -141.4871     108.2529 -13.09384      33.67017 43.85477 21.93465 33.86769 15.66434 9.987080       26.95367 
1 1 1 -22 14 30 o 43.94331 15.26955 -21.82954      33.47652 105.1683      99.25214 -38.13179      35.56030 58.48985 26.99681 29.39677 14.27618 29.09308       30.53911 
1 1 1 -22 16 1  o 306.0392 7.195001 1264.950       59.29134 0.000000      0.000000 1264.950       59.29134 ?        ?        306.0392 7.195001 ?              ?        
1 1 1 -22 16 2  o 111.9738 16.13816 261.3034       27.74500 86.50211      97.41998 276.7330       28.94363 81.26749 31.38480 142.6801 7.533663 -61.41262      32.27633 
1 1 1 -22 16 3  o 173.9173 5.205318 420.5366       23.72387 320.8345      34.37061 511.2609       32.78664 153.5531 8.312760 194.2814 6.267327 -40.72830      10.41064 
1 1 1 -22 16 4  o 115.5319 6.773082 184.2694       20.07330 117.9953      27.65309 258.0882       29.18467 93.04191 11.03778 138.0220 7.852775 -44.98005      13.54616 
1 1 1 -22 16 5  o 175.7095 7.551360 418.1802       35.72759 0.000000      0.000000 418.1802       35.72759 ?        ?        175.7095 7.551360 ?              ?        
1 1 1 -22 16 6  o 217.7810 6.851633 641.5778       40.17884 0.000000      0.000000 641.5778       40.17884 ?        ?        217.7810 6.851633 ?              ?        
1 1 1 -22 16 7  f 201.0695 6.585483 546.4061       35.65474 0.000000      0.000000 546.4061       35.65474 ?        ?        201.0695 6.585483 ?              ?        
1 1 1 -22 16 8  o 86.83736 7.342957 100.0021       16.15601 95.54328      19.55835 109.5799       28.66525 83.98061 8.649080 89.69412 11.86884 -5.713516      14.68591 
1 1 1 -22 16 9  o 185.1751 4.352647 463.3388       21.28735 464.4034      27.56127 461.7648       33.51390 185.4950 5.518026 184.8553 6.733017 0.6396790      8.705294 
1 1 1 -22 16 10 o 253.7822 6.008755 869.6786       41.06095 869.6786      41.06095 0.000000       0.000000 253.7822 6.008755 ?        ?        ?              ?        
1 1 1 -22 16 11 o 179.3549 4.984376 442.1975       23.55604 538.8009      33.01019 341.9630       33.62485 199.7403 6.137603 158.9695 7.855309 40.77087       9.968753 
1 1 1 -22 16 12 o 185.0936 7.190668 475.5681       29.64614 484.1276      33.72348 446.4524       62.19724 189.2896 6.616409 180.8976 12.76894 8.392014       14.38134 
1 1 1 -22 16 13 o 155.2282 5.186395 325.1276       21.63808 354.2915      31.34151 298.5664       29.91035 161.8784 7.190313 148.5781 7.476239 13.30022       10.37279 
1 1 1 -22 16 14 o 318.0711 4.540750 1348.618       38.22730 1462.526      60.84436 1274.330       49.13615 328.9410 6.869403 307.2013 5.940114 21.73972       9.081500 
1 1 1 -22 16 15 o 162.6561 8.862580 243.7235       26.69686 556.5914      84.48335 209.0157       28.13872 201.1128 15.60084 124.1995 8.413974 76.91328       17.72516 
1 1 1 -22 16 16 o 408.4913 7.269261 2240.804       68.03326 2329.163      140.7000 2213.842       77.72339 412.5372 12.66624 404.4455 7.136879 8.091705       14.53852 
1 1 1 -22 16 17 o 230.3451 8.436221 691.2275       40.50549 780.2045      97.02296 672.4461       44.57597 237.8539 15.14889 222.8362 7.429022 15.01764       16.87244 
1 1 1 -22 16 18 o 141.5591 11.90666 255.4841       30.02251 308.4270      88.10549 248.5291       31.93369 147.7713 22.14264 135.3470 8.762280 12.42433       23.81332 
1 1 1 -22 16 19 o 239.3674 10.72441 800.1599       67.93391 888.7076      108.4576 742.9904       87.14718 249.2304 16.16127 229.5045 14.10194 19.72594       21.44881 
1 1 1 -22 16 20 o 33.95236 16.23456 -114.8986      39.41575 -570.0339     115.9923 -55.48168      41.90967 ?        ?        33.95236 16.23456 ?              ?        
1 1 1 -22 16 21 o 310.7437 9.601744 753.6309       56.76929 2378.291      177.6713 568.9070       59.90976 416.7480 15.83290 204.7394 10.86708 212.0086       19.20349 
1 1 1 -22 16 22 o 50.09948 15.23046 18.63903       33.93430 -211.2686     119.8523 38.67586       35.38213 47.47632 23.64074 52.72264 19.20893 -5.246319      30.46092 
1 1 1 -22 16 23 o 95.99725 16.90933 156.0707       31.45136 123.3924      97.98222 159.8245       33.20869 85.05814 31.79138 106.9364 11.53302 -21.87824      33.81867 
1 1 1 -22 16 24 o 71.18799 17.67085 61.02216       28.14297 113.1775      92.67347 55.72372       29.53792 81.70816 30.84087 60.66782 17.25909 21.04034       35.34169 
1 1 1 -22 16 25 o 82.53317 15.19459 127.6750       29.79808 59.64624      83.91795 137.4900       31.87528 66.72186 27.90361 98.34449 12.03706 -31.62263      30.38918 
1 1 1 -22 16 26 o 58.28261 14.35713 58.29331       31.19725 -102.0286     93.79783 78.23464       33.08060 46.49575 22.71413 70.06947 17.56635 -23.57372      28.71425 
1 1 1 -22 16 27 o 62.87915 15.15533 77.45394       32.89599 -46.32576     102.6965 91.60669       34.72574 51.13772 24.69675 74.62057 17.57289 -23.48285      30.31066 
1 1 1 -22 16 28 o 40.55315 13.92494 -14.35090      33.49391 -85.56242     105.4605 -6.362161      35.32271 45.47994 22.56760 35.62636 16.31928 9.853577       27.84987 
1 1 1 -22 16 29 o 52.91246 13.74434 59.75116       33.60331 -125.7508     95.99978 85.65340       35.87275 39.34407 19.81135 66.48086 19.05618 -27.13679      27.48868 
1 1 1 -22 18 1  f 190.0688 4.397946 489.0287       22.43167 450.3623      30.26863 536.1368       33.40981 181.8035 6.183113 198.3342 6.255945 -16.53075      8.795893 
1 1 1 -22 18 2  o 49.50653 7.658522 14.35014       12.99136 -15.77172     15.62056 81.93056       23.39733 22.04517 10.35181 76.96790 11.28946 -54.92273      15.31704 
1 1 1 -22 18 3  o 205.7932 9.733006 643.9682       35.06469 566.4911      95.35246 656.0839       37.70683 192.6061 18.38563 218.9804 6.394865 -26.37428      19.46601 
1 1 1 -22 18 4  o 118.3663 10.90901 190.0825       34.76937 0.000000      0.000000 190.0825       34.76937 ?        ?        118.3663 10.90901 ?              ?        
1 1 1 -22 18 5  o 138.3177 10.74641 259.4702       40.02438 0.000000      0.000000 259.4702       40.02438 ?        ?        138.3177 10.74641 ?              ?        
1 1 1 -22 18 6  o 41.48809 17.72400 -96.23600      20.58679 -148.8266     25.42838 3.808993       35.07217 ?        ?        41.48809 17.72400 ?              ?        
1 1 1 -22 18 7  o 31.69554 10.16744 -19.28622      20.42854 5.048927      26.26077 -56.58177      32.51015 36.32943 15.42354 27.06164 13.25222 9.267792       20.33488 
1 1 1 -22 18 8  o 201.9060 5.097696 541.5334       27.29480 491.1161      35.09876 618.6742       43.41543 190.3384 6.848288 213.4737 7.552945 -23.13533      10.19539 
1 1 1 -22 18 9  o 96.76636 16.22453 113.7664       33.82115 184.5332      81.58398 99.08088       37.16513 110.5109 27.52118 83.02179 17.19086 27.48913       32.44905 
1 1 1 -22 18 10 o 183.2525 9.930558 413.3946       36.85875 538.1440      94.44025 390.9778       40.03369 196.7576 17.82552 169.7474 8.758689 27.01016       19.86112 
1 1 1 -22 18 11 o 420.3316 8.636919 2387.630       94.31467 2516.651      157.1203 2314.954       117.9232 428.3472 13.62238 412.3159 10.62150 16.03131       17.27384 
1 1 1 -22 18 12 o 246.7815 8.736538 867.9362       42.26314 781.1399      103.2286 885.4147       46.32343 237.7113 16.12749 255.8517 6.724019 -18.14037      17.47308 
1 1 1 -22 18 13 o 71.72651 17.32184 62.96117       27.60119 61.07161      94.32748 63.13811       28.86454 77.23908 30.57002 66.21394 16.29902 11.02515       34.64368 
1 1 1 -22 18 14 o 43.72774 14.50419 -13.68888      27.32281 -60.52147     85.38289 -8.346003      28.83928 52.67506 24.56058 34.78042 15.43580 17.89464       29.00838 
1 1 1 -22 18 15 o 40.76541 14.59293 -87.10221      29.92232 21.67360      93.22144 -99.59652      31.59410 59.67621 27.01382 21.85461 11.04845 37.82160       29.18587 
1 1 1 -22 18 16 o 37.06913 13.52408 -94.24950      32.48957 -171.0676     105.5823 -86.21475      34.14644 48.98461 23.96554 25.15365 12.54018 23.83097       27.04817 
1 1 1 -22 18 17 o 139.4886 17.47042 241.1283       86.57121 674.3995      126.7957 -137.2181      118.4866 220.7875 21.32783 58.18982 27.67645 162.5976       34.94084 
1 1 1 -22 18 18 o 249.7658 19.59035 863.9272       131.7524 863.9272      131.7524 0.000000       0.000000 249.7658 19.59035 ?        ?        ?              ?        
1 1 1 -22 18 19 o 90.59051 16.50905 169.5814       37.95745 87.36564      102.5169 182.6429       40.86147 69.82114 30.07488 111.3599 13.62705 -41.53874      33.01810 
1 1 1 -22 18 20 o 58.66057 17.03545 29.06494       30.33648 39.92252      89.68748 27.66222       32.23658 68.63506 28.78504 48.68607 18.22766 19.94899       34.07090 
1 1 1 -22 18 21 o 54.76966 16.75029 -8.871839      28.61763 99.67500      89.58994 -21.20592      30.19979 77.71052 30.07309 31.82880 14.76136 45.88172       33.50058 
1 1 1 -22 18 22 o 38.88457 13.53524 -36.24426      26.74181 -64.37195     84.05808 -33.07689      28.20731 49.57445 23.50064 28.19468 13.43618 21.37977       27.07048 
1 1 1 -22 18 23 o 63.29059 15.99660 60.53108       28.79730 45.59838      79.05749 62.81552       30.92167 63.09146 26.77175 63.48972 17.51679 -0.3982620     31.99319 
1 1 1 -22 18 24 o 70.43620 16.71598 82.64293       32.08089 79.17977      83.57268 83.24143       34.74259 68.69900 28.20344 72.17342 17.95166 -3.474419      33.43196 
1 1 1 -22 18 25 o 44.28368 14.04971 4.304418       33.46438 -110.4908     85.95627 24.81215       36.33076 42.50348 20.95877 46.06388 18.71650 -3.560410      28.09942 
1 1 1 -22 18 26 o 98.90429 17.67941 196.4706       37.58366 217.1555      106.2691 193.5135       40.18044 84.99318 32.79163 112.8154 13.22705 -27.82222      35.35882 
1 1 1 -22 18 27 o 47.45681 15.32352 30.18026       36.00021 5.078050      106.2289 33.43727       38.26451 49.26806 24.09036 45.64555 18.94453 3.622509       30.64704 
1 1 1 -22 20 1  o 61.28121 13.66943 43.49138       9.041789 43.09547      9.112357 68.75649       72.79366 56.14347 6.027651 66.41895 26.66610 -10.27548      27.33886 
1 1 1 -22 20 2  o 158.9960 14.16315 390.1685       59.61493 354.0659      89.46452 419.0016       79.95171 150.2317 22.11597 167.7603 17.69926 -17.52867      28.32631 
1 1 1 -22 20 3  o 82.16565 20.45043 102.5809       58.18326 174.3754      90.42989 51.86481       76.00450 98.36096 30.75082 65.97034 26.96791 32.39063       40.90087 
1 1 1 -22 20 4  o 47.37804 15.52369 -12.16317      36.23023 -30.72114     88.97198 -8.474191      39.66807 54.68041 25.35137 40.07567 17.92338 14.60474       31.04737 
1 1 1 -22 20 5  o 57.61948 13.60666 54.36214       24.30291 -77.76771     84.17297 66.37854       25.38396 48.20412 23.03755 67.03484 14.48571 -18.83072      27.21331 
1 1 1 -22 20 6  o 177.2174 10.73386 471.3046       31.45006 406.6971      91.56376 479.9463       33.48740 166.5085 20.42226 187.9262 6.617754 -21.41768      21.46773 
1 1 1 -22 20 7  f 133.2795 14.44852 222.1116       30.89593 329.6791      100.7934 210.9565       32.45842 142.8040 27.20591 123.7550 9.740501 19.04902       28.89704 
1 1 1 -22 20 8  o 51.13620 24.07681 -134.6107      33.07757 -32.53825     85.49430 -152.5797      35.87112 51.13620 24.07681 ?        ?        ?              ?        
1 1 1 -22 20 9  f 40.36105 14.50000 -89.65972      32.52433 -8.824488     96.41340 -100.0400      34.54955 57.14949 26.45869 23.57260 11.87171 33.57689       28.99999 
1 1 1 -22 20 10 o 134.4552 18.27196 290.5315       61.93787 309.3728      104.5556 280.3448       76.87938 133.3029 29.86924 135.6075 21.05439 -2.304642      36.54393 
1 1 1 -22 20 11 o 99.28093 17.59557 67.71494       33.06070 350.3400      111.0362 40.22194       34.63141 144.3535 29.56097 54.20840 19.09360 90.14505       35.19115 
1 1 1 -22 20 12 o 40.61770 14.55970 -64.03247      29.70269 -48.28250     101.0674 -65.52141      31.07498 56.04115 26.32051 25.19425 12.45673 30.84690       29.11940 
1 1 1 -22 20 13 o 114.9895 20.33953 235.5083       61.59533 346.1813      104.0840 175.8604       76.41191 134.3140 29.57907 95.66501 27.92604 38.64896       40.67905 
1 1 1 -22 20 14 o 55.43630 17.40347 16.25049       34.21323 55.35968      103.1667 11.41781       36.26552 67.77849 29.66921 43.09412 18.20055 24.68437       34.80693 
1 1 1 -22 20 15 o 72.96922 17.84288 44.58906       26.38978 154.1262      93.15206 35.03073       27.51711 95.45454 31.34917 50.48390 17.05001 44.97064       35.68576 
1 1 1 -22 20 16 o 46.30962 14.04390 9.626507       29.02788 -158.1105     90.46621 28.87842       30.64848 44.07216 21.68737 48.54708 17.84888 -4.474926      28.08780 
1 1 1 -22 20 17 o 100.1366 15.48720 157.8755       29.26789 155.1552      80.54253 158.2893       31.41547 93.80228 28.97132 106.4710 10.95794 -12.66871      30.97441 
1 1 1 -22 20 18 o 77.92287 16.71451 82.82788       27.68703 123.1526      83.12631 77.79618       29.36365 83.77696 29.57374 72.06877 15.58504 11.70819       33.42902 
1 1 1 -22 20 19 o 70.03429 14.17917 88.13202       28.54273 -17.89422     82.13717 102.6938       30.43975 54.93356 25.05746 85.13503 13.27851 -30.20147      28.35834 
1 1 1 -22 20 20 o 51.17559 15.70844 8.969979       27.84007 52.13831      77.37863 2.550946       29.83824 64.73427 26.90950 37.61691 16.21417 27.11736       31.41688 
1 1 1 -22 20 21 o 128.2355 13.65955 246.8493       31.29679 273.4966      83.18227 242.4551       33.77883 124.8505 25.60261 131.6205 9.530984 -6.769989      27.31910 
1 1 1 -22 20 22 o 61.96371 14.58484 69.12613       30.63476 -4.320359     72.65134 85.00930       33.78522 51.01127 23.38047 72.91616 17.44201 -21.90489      29.16967 
1 1 1 -22 20 23 o 83.96350 15.41138 143.3200       33.43777 86.29090      83.63953 154.1687       36.47985 66.25846 27.79342 101.6685 13.32549 -35.41007      30.82276 
1 1 1 -22 20 24 o 67.93111 15.10089 101.2721       34.93400 20.49907      85.01505 117.6816       38.31855 52.58941 24.51629 83.27282 17.63800 -30.68341      30.20178 
1 1 1 -22 20 25 o 50.82343 16.51516 27.11269       35.39972 125.9819      98.61494 12.48801       37.92761 61.75965 27.88622 39.88722 17.70199 21.87243       33.03032 
1 1 1 -22 22 1  o 65.76529 18.67847 93.32175       50.77832 83.93727      74.20734 101.5850       69.63347 63.48197 26.36756 68.04861 26.46304 -4.566635      37.35694 
1 1 1 -22 22 2  o 146.8761 13.60290 349.3376       53.23780 423.8325      80.31104 290.9413       71.10582 161.7172 18.44318 132.0351 20.00012 29.68213       27.20580 
1 1 1 -22 22 3  o 74.61664 18.60405 108.2021       49.54528 65.03381      76.62556 139.2161       64.94862 63.78349 26.66826 85.44978 25.94699 -21.66630      37.20809 
1 1 1 -22 22 4  o 171.9717 11.98845 446.8281       54.83537 363.0340      74.22941 547.4886       81.35772 153.0875 18.00748 190.8559 15.83105 -37.76843      23.97689 
1 1 1 -22 22 5  f 103.0603 19.30025 191.8743       55.53849 258.4285      83.85761 139.8707       74.12613 120.1466 26.62117 85.97403 27.95196 34.17252       38.60050 
1 1 1 -22 22 6  o 57.23096 13.38152 47.70436       15.09974 -2.913898     81.09535 49.52229       15.36849 54.90718 24.98827 59.55474 9.583663 -4.647568      26.76304 
1 1 1 -22 22 7  o 74.17891 14.88326 85.74243       20.54986 69.92257      80.99004 86.83101       21.24512 69.42735 28.03789 78.93047 9.996113 -9.503120      29.76652 
1 1 1 -22 22 8  o 71.12001 16.25428 49.57830       20.73116 137.0014      80.30621 43.33626       21.45851 88.20765 29.11416 54.03238 14.46281 34.17527       32.50857 
1 1 1 -22 22 9  o 65.55032 16.21733 40.12342       20.75512 114.9535      78.58112 34.51171       21.51929 82.35711 28.77754 48.74352 14.96194 33.61359       32.43465 
1 1 1 -22 22 10 o 92.85825 14.84629 134.4354       20.56340 128.8692      77.47602 134.8572       21.32836 86.56925 28.59764 99.14725 7.989018 -12.57800      29.69258 
1 1 1 -22 22 11 o 47.82178 14.60584 10.94963       18.98951 33.66722      71.85928 9.244081       19.68944 61.16363 25.71451 34.47993 13.85954 26.68369       29.21169 
1 1 1 -22 22 12 o 133.8430 11.51534 236.6169       22.62789 290.2052      81.42387 232.1319       23.55577 137.2473 22.03253 130.4387 6.706680 6.808685       23.03068 
1 1 1 -22 22 13 o 46.39057 13.47722 21.93438       21.90639 -58.27678     73.15483 29.83556       22.96000 46.47274 21.99936 46.30841 15.57465 0.1643257      26.95444 
1 1 1 -22 22 14 o 61.95166 15.93572 45.21888       23.63831 73.67490      75.60677 42.13599       24.88586 70.62222 27.54396 53.28109 16.03495 17.34113       31.87145 
1 1 1 -22 22 15 o 74.10332 15.27153 84.68847       25.28489 86.59049      72.32398 84.42363       26.98791 72.52666 27.27298 75.67999 13.75003 -3.153328      30.54307 
1 1 1 -22 22 16 o 108.6459 14.38903 210.2592       26.42465 155.4757      73.43765 218.4072       28.32163 91.72867 27.53193 125.5632 8.376693 -33.83450      28.77805 
1 1 1 -22 22 17 o 89.31282 15.12005 122.9190       27.09999 143.7681      73.72045 119.6614       29.14034 87.10658 27.83225 91.51906 11.82496 -4.412483      30.24010 
1 1 1 -22 22 18 o 110.2933 14.76470 211.7628       31.58247 176.8082      75.38193 219.2047       34.78238 96.11007 27.64588 124.4766 10.37739 -28.36649      29.52939 
1 1 1 -22 22 19 o 67.00366 17.28094 50.32146       30.05345 154.6952      81.58940 33.93674       32.32641 85.27981 29.34997 48.72751 18.25111 36.55230       34.56189 
1 1 1 -22 22 20 o 71.36459 14.02335 103.8994       30.36195 19.47133      77.45924 119.2261       33.00296 53.70871 24.43465 89.02048 13.76828 -35.31176      28.04670 
1 1 1 -22 22 21 o 57.50174 15.88035 59.12616       32.07855 43.38390      82.23528 61.95148       34.83846 55.89641 25.33121 59.10707 19.15913 -3.210659      31.76071 
1 1 1 -22 22 22 o 53.84162 14.89687 58.93242       33.20418 -20.65211     90.56808 71.29053       35.68921 46.57443 22.65634 61.10881 19.34832 -14.53438      29.79374 
1 1 1 -22 22 23 o 51.12272 16.02089 40.70642       34.14204 96.30164      86.19498 30.36044       37.18340 57.92372 26.12028 44.32173 18.55819 13.60199       32.04178 
1 1 1 -22 24 2  o 64.18156 18.70840 120.6197       52.19280 124.3609      77.46080 117.5089       70.63418 64.10051 26.80807 64.26262 26.10256 -0.1621094     37.41679 
1 1 1 -22 24 3  o 55.25751 17.22009 70.39310       50.43674 88.32744      70.27273 51.33919       72.43297 58.61229 25.06527 51.90274 23.61903 6.709549       34.44019 
1 1 1 -22 24 4  o 68.78523 19.06683 122.5103       52.05811 150.7102      75.41122 96.83743       71.95304 74.98365 27.91701 62.58681 25.97722 12.39684       38.13365 
1 1 1 -22 24 5  o 69.00479 19.20570 113.8481       52.34285 115.8607      76.40535 112.0682       71.85223 69.07301 27.45758 68.93656 26.86108 0.1364517      38.41141 
1 1 1 -22 24 6  o 107.9760 14.99624 214.0476       18.08472 195.3534      82.48936 214.9915       18.53566 90.89811 29.48300 125.0539 5.504622 -34.15576      29.99247 
1 1 1 -22 24 7  o 75.59435 15.39379 71.19337       17.04983 158.0729      81.79870 67.24739       17.43273 82.44756 29.31166 68.74114 9.418140 13.70641       30.78758 
1 1 1 -22 24 8  o 87.23280 15.00214 103.0459       19.26249 179.1061      78.44820 98.16586       19.87083 91.03082 28.67101 83.43478 8.844748 7.596039       30.00427 
1 1 1 -22 24 9  o 101.1100 14.77110 198.3986       25.49729 140.8331      76.30356 205.6343       27.05231 81.03565 28.35509 121.1843 8.290384 -40.14865      29.54220 
1 1 1 -22 24 10 f 40.64641 13.28741 2.508830       18.95936 3.808257      69.68053 2.404939       19.70270 50.49556 23.05104 30.79726 13.22388 19.69830       26.57483 
1 1 1 -22 24 11 o 34.79827 11.54010 -4.364122      19.16999 -101.2468     68.93423 3.756254       19.95721 38.10204 18.78464 31.49450 13.41016 6.607546       23.08019 
1 1 1 -22 24 12 o 43.97682 12.96211 21.84542       21.17022 -43.94612     69.05981 28.66926       22.24102 43.80376 20.91580 44.14989 15.31648 -0.3461342     25.92422 
1 1 1 -22 24 13 o 64.06857 12.49561 83.59938       23.41905 -39.33228     78.53500 95.59771       24.53531 46.81174 22.33889 81.32539 11.20423 -34.51365      24.99122 
1 1 1 -22 24 14 o 95.52635 15.43152 146.7034       24.54751 183.2303      81.81876 143.0902       25.73298 90.71108 29.35674 100.3416 9.524134 -9.630539      30.86304 
1 1 1 -22 24 15 o 109.9767 15.43035 205.4154       25.79605 224.3707      85.73962 203.5288       27.04934 99.70924 29.70839 120.2441 8.354290 -20.53482      30.86070 
1 1 1 -22 24 16 o 50.25570 12.95820 43.00409       26.44378 -107.0148     80.78510 61.00735       27.98556 40.05386 19.85379 60.45753 16.65792 -20.40367      25.91639 
1 1 1 -22 24 17 o 47.87935 15.15858 19.34805       28.53413 55.27214      79.87592 14.09302       30.54993 56.47525 25.33316 39.28344 16.65418 17.19181       30.31717 
1 1 1 -22 24 18 o 45.44572 13.64833 28.03557       30.67825 -70.29895     78.92471 45.53724       33.29659 40.48308 19.98505 50.40835 18.59317 -9.925266      27.29667 
1 1 1 -22 24 19 o 59.81501 17.00941 69.84190       33.22133 138.2718      87.89621 58.43716       35.88308 65.07826 27.93678 54.55176 19.41177 10.52650       34.01883 
1 1 1 -22 26 9  o 51.46783 14.35642 35.23603       17.70316 95.79276      68.80167 30.94249       18.32000 59.70511 25.13455 43.23054 13.88098 16.47457       28.71284 
1 1 1 -22 26 10 o 34.34575 11.41073 1.666978       18.98751 -94.15131     75.49024 8.138185       19.61820 37.02063 18.48636 31.67086 13.38183 5.349771       22.82146 
1 1 1 -22 26 11 o 46.53898 13.44141 35.67239       21.14534 0.5777692     82.28545 38.15377       21.88012 46.00399 22.18977 47.07396 15.17565 -1.069965      26.88282 
1 1 1 -22 26 12 o 75.33795 14.67097 118.6292       25.04035 124.4961      85.72948 118.0819       26.18209 62.43109 27.19443 88.24482 11.01873 -25.81373      29.34194 
1 1 1 -21 1  1  o 765.9174 8.320752 7934.816       171.5799 7859.292      240.2349 8013.458       245.1406 762.2172 11.70507 769.6176 11.82924 -7.400391      16.64150 
1 1 1 -21 1  2  o 59.06000 9.705462 49.20238       15.98971 69.05505      22.24079 27.96332       23.00426 71.42559 11.56413 46.69441 15.59022 24.73118       19.41092 
1 1 1 -21 1  3  o 201.9863 4.125370 550.1290       22.43331 546.8262      31.96775 553.3335       31.48867 201.3859 5.895216 202.5867 5.772447 -1.200851      8.250740 
1 1 1 -21 1  4  o 257.2411 3.896162 891.4117       26.97637 914.8342      38.83419 869.5694       37.50140 260.5027 5.536287 253.9794 5.483598 6.523285       7.792324 
1 1 1 -21 1  5  o 161.9220 4.328881 353.0107       18.83442 344.9955      25.69490 362.3177       27.68847 159.9460 5.966094 163.8980 6.273960 -3.952026      8.657763 
1 1 1 -21 1  6  o 202.3755 3.908161 552.5585       21.28489 564.8095      29.83404 539.8585       30.37604 204.6678 5.413513 200.0833 5.638153 4.584442       7.816322 
1 1 1 -21 1  7  o 113.3337 5.331669 173.0209       16.23858 158.4299      22.42218 189.1152       23.54886 108.3142 7.687925 118.3532 7.389357 -10.03899      10.66334 
1 1 1 -21 1  8  o 456.8952 5.170471 2818.442       63.60726 2793.588      89.38754 2843.937       90.53186 454.8574 7.298243 458.9330 7.326031 -4.075623      10.34094 
1 1 1 -21 1  9  f 310.5117 3.973553 1300.498       33.22052 1301.218      47.28304 1299.795       46.68451 310.5931 5.653666 310.4302 5.585029 0.1629028      7.947106 
1 1 1 -21 1  10 o 132.7790 4.374650 237.2231       15.61511 250.4632      22.89600 225.7095       21.35106 136.2297 6.241722 129.3282 6.131161 6.901520       8.749299 
1 1 1 -21 1  11 o 671.5980 7.267798 6111.016       131.4152 6047.939      184.1532 6176.471       187.5927 668.0846 10.23681 675.1113 10.31947 -7.026733      14.53560 
1 1 1 -21 1  12 o 347.6646 4.236069 1630.621       39.65424 1610.297      55.89040 1651.222       56.27066 345.4811 6.007994 349.8480 5.973368 -4.366821      8.472137 
1 1 1 -21 1  13 o 201.7700 3.834237 547.8656       20.81043 577.8361      30.22331 520.8461       28.69677 207.0065 5.422188 196.5334 5.422671 10.47311       7.668473 
1 1 1 -21 1  14 o 295.9401 4.062956 1179.306       32.33934 1217.418      47.12052 1145.369       44.46445 300.4464 5.824515 291.4338 5.666169 9.012512       8.125912 
1 1 1 -21 1  15 o 288.9368 4.171353 1125.971       32.45319 1132.668      45.89525 1119.275       45.89622 289.7975 5.881522 288.0760 5.916794 1.721497       8.342707 
1 1 1 -21 1  16 o 294.4871 6.126840 1169.554       48.58320 0.000000      0.000000 1169.554       48.58320 ?        ?        294.4871 6.126840 ?              ?        
1 1 1 -21 1  17 f 289.1992 5.778748 1127.611       45.00018 1127.611      45.00018 0.000000       0.000000 289.1992 5.778748 ?        ?        ?              ?        
1 1 1 -21 1  18 o 542.3225 6.098778 3968.268       88.96102 3892.200      122.4839 4053.198       129.4224 536.8572 8.472991 547.7877 8.774327 -10.93048      12.19756 
1 1 1 -21 1  19 o 72.80249 9.993890 73.81508       18.78701 69.56645      25.07339 79.25374       28.36835 70.43984 13.71269 75.16515 14.54212 -4.725304      19.98778 
1 1 1 -21 1  20 o 178.3298 4.504281 428.2968       21.52308 424.2384      28.97370 433.2939       32.14996 177.3998 6.065511 179.2598 6.660613 -1.859985      9.008562 
1 1 1 -21 1  21 o 274.7975 5.808124 1017.868       42.97661 0.000000      0.000000 1017.868       42.97661 ?        ?        274.7975 5.808124 ?              ?        
1 1 1 -21 1  22 o 99.56411 6.965211 133.9405       18.63148 133.8705      27.27134 134.0018       25.51412 99.52787 10.17603 99.60035 9.513413 -0.7247925E-01 13.93042 
1 1 1 -21 1  23 o 58.67190 11.05144 49.61504       18.26623 33.31347      27.40263 62.65066       24.50436 50.76738 17.01515 66.57641 14.10751 -15.80902      22.10288 
1 1 1 -21 1  24 o 99.12009 7.006629 134.3275       18.38624 126.7002      28.27507 139.9155       24.20168 96.58961 10.87151 101.6506 8.842037 -5.060951      14.01326 
1 1 1 -21 1  25 o 174.3471 4.703985 409.1657       21.89680 422.8956      33.43651 398.8560       28.97415 176.8605 7.021122 171.8336 6.262089 5.026962       9.407970 
1 1 1 -21 1  26 o 100.2080 8.437396 136.8867       22.57759 161.3890      32.68139 114.5162       31.22730 108.8642 11.14890 91.55179 12.66731 17.31241       16.87479 
1 1 1 -21 1  27 f 35.83978 11.75819 -33.22882      27.29030 -21.00834     39.08035 -44.85972      38.12598 38.39450 17.42441 33.28507 15.79271 5.109425       23.51637 
1 1 1 -21 1  28 o 149.3437 13.46377 304.5937       54.14235 0.000000      0.000000 304.5937       54.14235 ?        ?        149.3437 13.46377 ?              ?        
1 1 1 -21 1  29 o 34.13041 11.51448 -51.52959      30.51188 -13.49644     42.56755 -91.71920      43.75769 39.24247 17.95333 29.01836 14.42257 10.22411       23.02895 
1 1 1 -21 1  30 o 95.21518 10.42848 130.5911       26.69109 141.0846      38.32476 120.7074       37.19440 99.08833 14.36394 91.34204 15.12250 7.746284       20.85696 
1 1 1 -21 1  31 o 78.28079 12.44466 94.55613       27.04758 137.6687      39.03279 54.73236       37.51449 97.04560 14.93724 59.51599 19.90872 37.52961       24.88932 
1 1 1 -21 1  32 f 48.75571 13.77376 27.26871       28.08405 44.94083      39.85847 9.845536       39.57672 54.34447 20.28356 43.16696 18.63982 11.17751       27.54752 
1 1 1 -21 1  33 o 73.59341 14.14003 98.16450       30.37539 139.6759      44.52940 62.03835       41.54073 89.28545 19.09948 57.90138 20.85598 31.38406       28.28006 
1 1 1 -21 1  34 o 39.13430 12.87453 -8.709906      33.45220 25.63522      48.92719 -38.85838      45.84062 44.82233 19.98600 33.44627 16.23498 11.37605       25.74907 
1 1 1 -21 3  1  o 266.2722 4.070300 955.6191       29.18255 965.8760      41.38365 945.4738       41.15799 267.6941 5.741251 264.8502 5.771257 2.843903       8.140600 
1 1 1 -21 3  2  o 186.2424 4.144559 467.7108       20.76764 464.6095      29.92612 470.5919       28.84356 185.6415 5.986760 186.8433 5.733080 -1.201767      8.289119 
1 1 1 -21 3  3  f 188.9714 4.100976 481.3313       20.86283 475.3444      29.14201 487.6257       29.88088 187.7680 5.763875 190.1748 5.835216 -2.406845      8.201951 
1 1 1 -21 3  4  o 172.1048 4.202556 399.2106       19.47143 389.4698      27.22514 409.4106       27.85935 169.9562 5.949078 174.2533 5.937540 -4.297058      8.405112 
1 1 1 -21 3  5  o 100.3607 6.114609 135.8300       16.51067 129.7193      22.82945 142.5311       23.90702 97.99784 8.651582 102.7237 8.643143 -4.725815      12.22922 
1 1 1 -21 3  6  f 247.6745 3.845085 826.9642       25.63132 823.8345      35.67957 830.3017       36.84483 247.1953 5.360384 248.1536 5.514072 -0.9582977     7.690169 
1 1 1 -21 3  7  o 129.9890 4.704599 224.6106       16.34226 194.9515      21.67842 263.6527       24.87228 120.1953 6.698180 139.7827 6.608132 -19.58746      9.409199 
1 1 1 -21 3  8  o 518.2927 5.758650 3627.687       80.34316 3675.795      115.3163 3582.304       112.0010 521.6166 8.210238 514.9689 8.077141 6.647766       11.51730 
1 1 1 -21 3  9  o 157.3018 4.039610 333.9584       17.07531 337.9017      23.48849 329.5388       24.86668 158.2968 5.510610 156.3070 5.908213 1.989792       8.079221 
1 1 1 -21 3  10 o 259.7060 3.731046 908.4521       26.07633 880.0553      36.14158 939.2856       37.66028 255.4791 5.253738 263.9329 5.299155 -8.453857      7.462091 
1 1 1 -21 3  11 o 107.0709 5.323736 153.7696       15.29446 171.8550      22.67204 138.6659       20.71893 112.8122 7.463649 101.3297 7.593589 11.48242       10.64747 
1 1 1 -21 3  12 f 430.4578 4.927395 2501.097       57.10950 2491.090      81.08595 2510.947       80.44791 429.5969 7.009727 431.3188 6.926805 -1.721863      9.854791 
1 1 1 -21 3  13 o 255.9435 3.912427 882.7281       26.90925 892.4811      39.41923 874.2172       36.82403 257.2549 5.690639 254.6320 5.370750 2.622864       7.824853 
1 1 1 -21 3  14 f 133.6746 5.210085 241.3627       18.71341 239.3418      27.30929 243.1517       25.69402 133.1341 7.617944 134.2151 7.109634 -1.081039      10.42017 
1 1 1 -21 3  15 o 169.8351 4.724818 388.7074       21.59331 376.3778      29.89458 402.1579       31.22388 167.0243 6.647058 172.6459 6.716565 -5.621643      9.449636 
1 1 1 -21 3  16 o 578.0983 6.395737 4509.411       99.48251 4666.281      144.1637 4366.802       137.4550 587.6692 9.110445 568.5275 8.978952 19.14172       12.79147 
1 1 1 -21 3  17 o 160.3471 5.073290 327.3275       20.51091 295.2449      24.48680 402.7696       37.54954 147.9686 6.145807 172.7257 8.073547 -24.75703      10.14658 
1 1 1 -21 3  18 o 508.9797 5.797669 3485.750       79.13688 3372.989      106.5176 3624.671       118.2293 499.8728 7.913679 518.0867 8.474995 -18.21396      11.59534 
1 1 1 -21 3  19 o 242.2935 4.343221 798.3276       27.89425 835.2972      36.86681 748.8231       42.66142 248.9448 5.499828 235.6422 6.723553 13.30254       8.686441 
1 1 1 -21 3  20 o 182.2940 4.452851 448.0746       21.59020 448.4325      28.40751 447.5851       33.22068 182.3995 5.783969 182.1886 6.771798 0.2109833      8.905703 
1 1 1 -21 3  21 o 55.42709 10.59740 42.29323       17.33766 20.25630      24.65943 63.83578       24.38125 43.44780 16.00478 67.40637 13.89484 -23.95857      21.19480 
1 1 1 -21 3  22 o 129.4205 5.469830 227.2525       18.88710 216.0160      28.29733 236.2800       25.36361 126.4966 8.307745 132.3444 7.117411 -5.847778      10.93966 
1 1 1 -21 3  23 o 94.84805 7.082333 124.4211       17.40801 111.6926      27.95105 132.4868       22.25013 90.71202 11.44326 98.98409 8.348023 -8.272072      14.16467 
1 1 1 -21 3  24 o 48.34203 10.92490 28.75500       18.58817 -3.827087     29.04807 51.34872       24.18921 36.60845 15.88815 60.07561 14.99935 -23.46716      21.84980 
1 1 1 -21 3  25 o 100.5403 7.652409 143.0063       19.70721 115.9619      31.35619 160.6638       25.33667 92.18487 12.63224 108.8957 8.640832 -16.71081      15.30482 
1 1 1 -21 3  26 f 126.3734 9.457540 216.9538       32.18232 0.000000      0.000000 216.9538       32.18232 ?        ?        126.3734 9.457540 ?              ?        
1 1 1 -21 3  27 o 29.49119 10.17753 -67.24963      26.41092 -72.61735     38.74343 -62.58990      36.09808 29.66121 14.51287 29.32117 14.27254 0.3400440      20.35507 
1 1 1 -21 3  28 o 588.0930 9.753907 4683.313       154.4572 0.000000      0.000000 4683.313       154.4572 ?        ?        588.0930 9.753907 ?              ?        
1 1 1 -21 3  29 o 46.20327 13.55865 4.335901       30.03453 -31.29347     43.20909 37.64354       41.77755 37.61528 17.51635 54.79127 20.70084 -17.17599      27.11729 
1 1 1 -21 3  30 o 56.36046 14.05521 45.07557       26.83644 35.18664      38.26878 54.64416       37.64387 52.50101 19.81805 60.21991 19.93592 -7.718903      28.11043 
1 1 1 -21 3  31 o 53.22247 13.95108 39.46940       27.26638 23.75419      41.12265 51.79882       36.42439 48.56520 19.84290 57.87974 19.61607 -9.314541      27.90217 
1 1 1 -21 3  32 o 46.07962 13.66011 19.84673       28.90372 3.589216      46.06088 30.40664       37.12232 43.79937 19.46971 48.35987 19.16571 -4.560509      27.32022 
1 1 1 -21 3  33 o 43.93884 14.00087 12.14420       32.50473 11.87852      60.73178 12.25085       38.48015 46.66569 21.38427 41.21198 18.07791 5.453709       28.00174 
1 1 1 -21 5  1  o 399.8378 4.851371 2154.886       52.21724 2198.619      74.92241 2113.578       72.81533 403.7780 6.891055 395.8977 6.830561 7.880219       9.702743 
1 1 1 -21 5  2  o 216.1614 3.994275 630.0294       23.23959 616.2919      33.07767 643.4203       32.65783 213.8295 5.744921 218.4933 5.550930 -4.663879      7.988551 
1 1 1 -21 5  3  o 169.1462 4.258426 384.6584       19.34970 400.7892      28.56115 370.9736       26.30687 172.4096 6.152207 165.8829 5.889577 6.526672       8.516852 
1 1 1 -21 5  4  o 258.4961 3.960859 900.9998       27.56087 908.8769      38.60212 892.8090       39.36294 259.6537 5.521197 257.3385 5.680667 2.315155       7.921717 
1 1 1 -21 5  5  o 373.2314 4.530964 1878.813       45.52972 1885.670      63.93802 1871.758       64.84914 373.9281 6.350204 372.5347 6.464785 1.393402       9.061928 
1 1 1 -21 5  6  o 52.92714 10.27997 36.49500       15.47058 22.55341      20.14837 56.52142       24.14824 42.58907 14.58858 63.26521 14.48739 -20.67614      20.55994 
1 1 1 -21 5  7  o 233.5409 3.816803 735.3610       23.99393 759.5363      34.01704 711.4246       33.84866 237.3655 5.322253 229.7163 5.472255 7.649216       7.633607 
1 1 1 -21 5  8  o 86.53868 6.624783 100.5721       15.02295 71.75754      20.25557 135.8006       22.39674 72.81465 10.33100 100.2627 8.295871 -27.44807      13.24957 
1 1 1 -21 5  9  f 258.5044 3.804379 900.3796       26.44442 912.4327      38.53400 889.6497       36.35700 260.1299 5.501364 256.8789 5.256252 3.251038       7.608757 
1 1 1 -21 5  10 o 187.0141 3.845270 471.6651       19.35910 467.0344      27.59160 476.1551       27.16908 186.1063 5.505952 187.9219 5.369256 -1.815598      7.690540 
1 1 1 -21 5  11 o 168.4857 4.109048 383.5926       18.56836 373.7317      27.30417 392.0768       25.32647 166.4530 6.091918 170.5184 5.515945 -4.065414      8.218097 
1 1 1 -21 5  12 o 241.1304 5.277504 783.9136       34.26604 0.000000      0.000000 783.9136       34.26604 ?        ?        241.1304 5.277504 ?              ?        
1 1 1 -21 5  13 o 83.98788 8.266698 96.51815       17.43207 138.1165      26.08761 62.96035       23.43113 101.0593 9.586818 66.91643 13.47019 34.14291       16.53340 
1 1 1 -21 5  14 o 383.7917 4.626756 1986.671       47.81014 2004.942      68.14691 1968.961       67.09292 385.5268 6.564600 382.0565 6.521772 3.470215       9.253512 
1 1 1 -21 5  15 o 414.7474 4.867250 2319.550       54.34298 2389.487      77.73023 2252.685       76.00399 420.8628 6.859082 408.6319 6.907497 12.23090       9.734501 
1 1 1 -21 5  16 o 257.2466 4.067997 852.3914       27.19862 751.6121      33.57299 1044.846       46.39465 236.1378 5.280087 278.3553 6.189919 -42.21754      8.135995 
1 1 1 -21 5  17 o 545.3293 8.676917 4016.545       127.4112 0.000000      0.000000 4016.545       127.4112 ?        ?        545.3293 8.676917 ?              ?        
1 1 1 -21 5  18 o 300.4806 5.694061 1217.073       46.07039 1217.073      46.07039 0.000000       0.000000 300.4806 5.694061 ?        ?        ?              ?        
1 1 1 -21 5  19 o 132.8897 5.415096 233.0183       18.57128 220.9265      22.90634 256.2118       31.72437 128.0022 6.645918 137.7771 8.551307 -9.774948      10.83019 
1 1 1 -21 5  20 o 391.2195 4.845636 2060.923       50.99004 2127.079      74.23315 2001.826       70.16067 397.1465 6.941667 385.2925 6.762693 11.85394       9.691273 
1 1 1 -21 5  21 o 59.88785 10.71718 50.58145       17.29176 49.91076      24.82521 51.21349       24.09942 59.52211 15.37934 60.25359 14.93008 -0.7314835     21.43435 
1 1 1 -21 5  22 o 227.9016 4.175652 701.9843       25.47732 687.8433      37.91625 713.6245       34.40051 225.7789 6.236754 230.0243 5.554024 -4.245392      8.351304 
1 1 1 -21 5  23 o 369.7369 4.693361 1847.588       46.60344 1822.694      68.17581 1869.422       63.85099 367.3542 6.892265 372.1196 6.372380 -4.765442      9.386722 
1 1 1 -21 5  24 o 267.4383 5.460275 965.3103       39.32072 0.000000      0.000000 965.3103       39.32072 ?        ?        267.4383 5.460275 ?              ?        
1 1 1 -21 5  25 o 56.20224 12.13659 43.83018       19.55153 40.65821      33.23095 45.50950       24.17937 55.73959 18.73720 56.66490 15.43064 -0.9253120     24.27318 
1 1 1 -21 5  26 o 165.4603 7.677999 370.8920       34.20781 0.000000      0.000000 370.8920       34.20781 ?        ?        165.4603 7.677999 ?              ?        
1 1 1 -21 5  27 o 75.36691 14.50517 95.61469       30.61798 73.37865      49.75794 109.1648       38.84234 66.99693 22.92591 83.73689 17.77646 -16.73996      29.01034 
1 1 1 -21 5  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 5  29 o 44.29380 13.38742 -4.488475      29.50662 26.91968      43.83199 -30.51659      39.90169 52.36343 20.80261 36.22417 16.85655 16.13926       26.77484 
1 1 1 -21 5  30 o 48.29138 13.50300 24.12701       26.04841 19.89606      37.98003 27.88476       35.79320 47.30216 19.16604 49.28060 19.02596 -1.978439      27.00601 
1 1 1 -21 5  31 o 41.66293 13.53875 -14.62391      30.47169 -0.1175952    59.04187 -19.89073      35.57588 48.52582 21.77283 34.80003 16.09766 13.72579       27.07749 
1 1 1 -21 5  32 o 67.12982 15.23268 83.28452       30.99392 65.93990      59.48513 89.74789       36.31244 61.12084 24.24911 73.13879 18.44231 -12.01795      30.46535 
1 1 1 -21 5  33 o 56.00789 15.57489 65.41100       34.05191 57.79567      62.91908 68.56546       40.49494 53.64357 23.33244 58.37220 20.63749 -4.728626      31.14978 
1 1 1 -21 7  1  o 265.8266 4.113835 952.0400       29.43555 970.5392      42.32621 934.7130       40.96354 268.3238 5.858235 263.3293 5.777166 4.994507       8.227671 
1 1 1 -21 7  2  o 301.1188 4.202367 1221.581       34.06372 1251.891      48.87979 1192.962       47.49673 304.7475 5.956700 297.4902 5.929358 7.257355       8.404735 
1 1 1 -21 7  3  o 101.7533 6.161243 139.6487       16.87372 145.2339      24.23307 134.3921       23.50947 103.7278 8.676208 99.77882 8.750263 3.948967       12.32249 
1 1 1 -21 7  4  o 333.8197 4.324904 1501.131       38.84506 1472.586      53.69666 1532.471       56.26362 330.4994 6.033832 337.1401 6.197747 -6.640717      8.649809 
1 1 1 -21 7  5  o 392.6903 4.727125 2079.607       49.97960 2111.129      71.23206 2049.040       70.14414 395.6207 6.686720 389.7599 6.683607 5.860840       9.454249 
1 1 1 -21 7  6  o 328.7187 4.239863 1456.021       37.51412 1493.727      53.96818 1420.768       52.18281 332.8316 6.021848 324.6058 5.970185 8.225861       8.479727 
1 1 1 -21 7  7  o 287.2842 3.992359 1112.637       30.87871 1113.463      44.06146 1111.840       43.28701 287.3857 5.693908 287.1828 5.597780 0.2028809      7.984718 
1 1 1 -21 7  8  o 291.7440 4.001637 1146.672       31.40141 1163.921      45.62670 1131.150       43.28256 293.8194 5.767070 289.6686 5.549172 4.150787       8.003275 
1 1 1 -21 7  9  o 335.7556 4.269475 1521.141       38.57114 1483.850      55.16602 1556.806       53.94997 331.7149 6.176227 339.7962 5.896431 -8.081329      8.538951 
1 1 1 -21 7  10 o 149.8329 4.625800 307.9447       18.23574 274.9511      28.08438 331.9956       23.97813 142.7422 7.306833 156.9237 5.674708 -14.18152      9.251600 
1 1 1 -21 7  11 f 98.67918 6.792938 132.4510       17.53543 128.0198      28.12743 135.2682       22.42724 97.27193 10.73889 100.0864 8.321799 -2.814522      13.58588 
1 1 1 -21 7  12 o 329.2648 4.220859 1460.776       37.37514 1482.342      54.40476 1441.502       51.43319 331.5540 6.093956 326.9757 5.841772 4.578278       8.441717 
1 1 1 -21 7  13 o 534.9302 5.932311 3858.324       85.34774 3754.395      117.3232 3975.144       124.3861 527.3138 8.262877 542.5466 8.514347 -15.23279      11.86462 
1 1 1 -21 7  14 o 461.8481 5.260745 2878.105       65.41825 2923.988      93.08011 2833.320       91.96081 465.4869 7.426188 458.2092 7.453420 7.277710       10.52149 
1 1 1 -21 7  15 o 616.9427 6.761727 5141.619       112.2668 5066.341      155.7902 5222.943       161.9261 612.2756 9.449519 621.6098 9.674212 -9.334167      13.52345 
1 1 1 -21 7  16 o 251.7751 4.117706 854.5096       27.49764 853.9161      35.90942 855.3510       42.75541 251.6994 5.298377 251.8508 6.304698 -0.1514282     8.235412 
1 1 1 -21 7  17 o 542.2985 6.049552 3947.280       87.91224 3753.571      117.6200 4192.468       132.3292 527.3553 8.283128 557.2416 8.819191 -29.88623      12.09910 
1 1 1 -21 7  18 o 238.7286 5.997795 768.2402       38.55489 0.000000      0.000000 768.2402       38.55489 ?        ?        238.7286 5.997795 ?              ?        
1 1 1 -21 7  19 o 156.3156 4.600037 329.1464       19.35128 320.2045      26.82965 338.8422       27.93764 154.1063 6.465638 158.5249 6.544988 -4.418640      9.200073 
1 1 1 -21 7  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  21 o 226.0005 4.358972 687.5443       26.49029 716.7905      38.71671 661.8019       36.32355 230.5042 6.237867 221.4967 6.090285 9.007477       8.717944 
1 1 1 -21 7  22 o 201.2357 5.921911 546.4324       32.08856 0.000000      0.000000 546.4324       32.08856 ?        ?        201.2357 5.921911 ?              ?        
1 1 1 -21 7  23 o 112.6961 6.649148 174.0663       19.31528 165.5069      31.94396 178.9994       24.25073 110.3675 10.74890 115.0246 7.829798 -4.657127      13.29830 
1 1 1 -21 7  24 o 129.0086 6.257625 220.7322       20.46033 239.7036      36.21910 211.8406       24.79570 132.8631 10.12395 125.1542 7.357793 7.708839       12.51525 
1 1 1 -21 7  25 o 144.0137 7.826470 280.9727       30.34960 0.000000      0.000000 280.9727       30.34960 ?        ?        144.0137 7.826470 ?              ?        
1 1 1 -21 7  26 o 43.39973 13.24475 -0.8533499     26.91791 -0.7402353    46.20779 -0.9114533     33.11744 46.93200 20.20350 39.86745 17.13221 7.064552       26.48951 
1 1 1 -21 7  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  28 o 32.29900 11.45792 -107.8123      37.23635 -249.4145     83.52796 -72.69162      41.59859 34.53941 17.51689 30.05859 14.77479 4.480824       22.91584 
1 1 1 -21 7  29 o 46.00813 13.68084 9.859471       30.36298 -49.51863     57.82761 32.46003       35.67645 41.31006 19.55659 50.70621 19.13637 -9.396145      27.36167 
1 1 1 -21 7  30 o 76.41167 12.65611 113.8101       29.97282 -2.498257     60.07680 152.3544       34.58450 49.33281 22.06087 103.4905 12.41074 -54.15773      25.31222 
1 1 1 -21 7  31 o 54.49597 15.64400 29.67649       30.90489 72.59830      64.75700 17.01725       35.16831 65.25430 25.47987 43.73763 18.15806 21.51667       31.28800 
1 1 1 -21 7  32 o 44.51198 13.39073 17.95696       30.00950 -47.64865     61.24397 38.68579       34.42550 39.59517 19.10993 49.42878 18.76317 -9.833607      26.78145 
1 1 1 -21 7  33 o 46.71900 14.47950 33.91248       34.02931 20.07029      63.69702 39.44109       40.25543 46.04267 21.38287 47.39533 19.52937 -1.352661      28.95900 
1 1 1 -21 9  1  o 89.60849 7.563188 110.5428       17.79643 99.77343      27.65751 118.1524       23.24867 85.75317 11.97787 93.46380 9.237857 -7.710625      15.12638 
1 1 1 -21 9  2  o 136.3179 5.087883 248.6774       18.55157 293.0222      27.48932 211.5895       25.13962 147.3991 6.926053 125.2367 7.454933 22.16239       10.17577 
1 1 1 -21 9  3  o 616.2617 6.813160 5123.933       112.9574 5268.706      163.9652 4993.158       155.8364 624.5125 9.750507 608.0108 9.518624 16.50171       13.62632 
1 1 1 -21 9  4  o 597.2990 6.617477 4812.730       106.3494 4697.640      146.9587 4939.272       154.0965 589.8295 9.253060 604.7683 9.462816 -14.93878      13.23495 
1 1 1 -21 9  5  o 119.3973 5.185462 191.9538       16.33917 190.6310      21.07223 193.9482       25.87423 118.9039 6.581592 119.8908 8.014905 -0.9868851     10.37092 
1 1 1 -21 9  6  o 148.1936 4.570461 297.7970       18.04161 308.8878      24.08626 283.6203       27.23167 151.3733 5.909309 145.0139 6.973989 6.359329       9.140922 
1 1 1 -21 9  7  o 113.8914 5.426672 175.1048       16.63535 179.1685      23.39396 170.9482       23.66018 115.2332 7.539507 112.5497 7.807107 2.683411       10.85334 
1 1 1 -21 9  8  o 181.6998 4.147465 445.0329       20.20998 446.0567      29.97258 444.1794       27.36723 181.8801 6.120060 181.5196 5.599174 0.3604584      8.294930 
1 1 1 -21 9  9  o 226.8474 4.009147 693.2645       24.30527 697.7329      36.74420 689.7885       32.40833 227.4786 5.998806 226.2162 5.320465 1.262390       8.018293 
1 1 1 -21 9  10 o 387.5042 6.425887 2025.177       67.04909 0.000000      0.000000 2025.177       67.04909 ?        ?        387.5042 6.425887 ?              ?        
1 1 1 -21 9  11 o 91.57692 6.409620 113.3958       15.68075 132.6895      22.58292 95.43299       21.79016 99.12578 8.460775 84.02807 9.630587 15.09771       12.81924 
1 1 1 -21 9  12 o 200.3924 3.872371 543.6505       20.67730 642.7949      29.55161 448.5533       28.94217 218.3888 5.025361 182.3960 5.892943 35.99281       7.744742 
1 1 1 -21 9  13 o 262.8604 3.827707 901.1876       26.45730 801.1746      33.33680 1071.377       43.48725 243.8144 5.077864 281.9064 5.728932 -38.09193      7.655414 
1 1 1 -21 9  14 o 260.9581 3.979367 919.0732       27.80423 928.9116      37.49489 907.0539       41.44313 262.5291 5.304094 259.3871 5.933635 3.142090       7.958734 
1 1 1 -21 9  15 o 168.7267 4.772738 406.8436       20.42093 490.8600      26.77568 290.0265       31.57270 190.8495 5.210338 146.6039 7.998029 44.24570       9.545475 
1 1 1 -21 9  16 o 158.2618 4.561935 325.3119       18.96836 284.8645      23.84419 395.0274       31.30418 145.3671 6.091623 171.1565 6.792434 -25.78940      9.123871 
1 1 1 -21 9  17 o 127.0120 4.947187 217.9780       16.88589 227.4106      23.50728 207.9220       24.27157 129.8646 6.722460 124.1594 7.259972 5.705231       9.894375 
1 1 1 -21 9  18 o 318.3058 4.223271 1365.831       36.19536 1346.547      51.08596 1385.270       51.29060 316.0476 6.002962 320.5640 5.942096 -4.516357      8.446542 
1 1 1 -21 9  19 o 176.0818 4.327589 418.2410       20.48569 413.6471      29.73479 422.3916       28.26348 175.1535 6.304675 177.0102 5.929853 -1.856705      8.655177 
1 1 1 -21 9  20 o 392.1714 4.845189 2073.037       51.12265 1983.575      70.64098 2171.416       74.07814 383.3033 6.844326 401.0395 6.859929 -17.73611      9.690378 
1 1 1 -21 9  21 o 56.35256 11.61947 43.50843       18.78090 53.51901      28.05171 35.37589       25.28382 61.46233 16.57185 51.24279 16.29179 10.21955       23.23895 
1 1 1 -21 9  22 o 83.92149 8.707517 93.88193       19.37673 107.9448      30.84514 84.71467       24.90401 88.95250 12.87790 78.89049 11.72361 10.06201       17.41503 
1 1 1 -21 9  23 o 185.2552 5.140509 466.5346       24.31772 456.3821      41.36685 471.8958       30.06025 183.5736 8.368719 186.9368 5.971925 -3.363266      10.28102 
1 1 1 -21 9  24 o 118.0394 9.650809 189.3102       30.67425 0.000000      0.000000 189.3102       30.67425 ?        ?        118.0394 9.650809 ?              ?        
1 1 1 -21 9  25 o 49.99781 13.21109 24.73141       25.65475 -8.413703     42.28523 44.03885       32.27315 43.08537 18.92391 56.91024 18.43955 -13.82487      26.42218 
1 1 1 -21 9  26 o 47.40225 15.44645 -31.00165      42.81609 -225.5707     108.7551 4.686881       46.57759 46.68498 23.12187 48.11952 20.48780 -1.434536      30.89289 
1 1 1 -21 9  27 o 48.88493 16.42767 -68.83716      52.09195 -28.95886     95.09248 -85.93504      62.26572 58.30627 26.73316 39.46359 19.10003 18.84267       32.85533 
1 1 1 -21 9  28 o 135.9102 12.89748 341.3830       33.37268 163.2332      65.16223 404.7252       38.85525 100.1758 24.38654 171.6447 8.406899 -71.46896      25.79495 
1 1 1 -21 9  29 f 84.37712 14.33121 122.0844       30.05992 77.85516      62.25124 135.5335       34.32727 70.88844 25.53129 97.86580 13.02642 -26.97736      28.66242 
1 1 1 -21 9  30 o 50.69741 15.65485 15.82802       30.35229 35.54285      78.17162 12.32820       32.93639 59.70385 25.98785 41.69098 17.46219 18.01286       31.30969 
1 1 1 -21 9  31 o 41.20770 12.92829 1.880490       29.47173 -111.3389     71.75163 24.85875       32.32437 37.81217 18.73693 44.60323 17.81826 -6.791065      25.85658 
1 1 1 -21 9  32 o 52.64920 14.49738 54.79218       30.73290 12.91746      68.87219 65.20348       34.34159 46.74062 21.88034 58.55777 19.02490 -11.81715      28.99476 
1 1 1 -21 11 1  o 37.53178 10.36381 9.835646       16.04682 -7.733912     25.30198 21.65768       20.75487 32.85152 14.52480 42.21202 14.78731 -9.360500      20.72762 
1 1 1 -21 11 2  o 48.78386 9.383671 31.96874       15.36163 -2.963612     23.39467 58.44642       20.36774 33.01005 14.29241 64.55767 12.16306 -31.54762      18.76734 
1 1 1 -21 11 3  o 280.5428 4.078248 1060.634       30.79615 1090.309      44.28308 1032.841       42.85662 284.3389 5.783865 276.7467 5.751116 7.592194       8.156496 
1 1 1 -21 11 4  f 166.3213 4.271352 373.3897       19.10555 387.4212      26.72280 358.7177       27.32594 169.5284 5.854046 163.1142 6.221569 6.414139       8.542704 
1 1 1 -21 11 5  o 605.9735 6.720477 4959.129       109.6390 4916.351      153.4135 5003.786       156.7462 603.3155 9.443557 608.6315 9.564437 -5.315979      13.44095 
1 1 1 -21 11 6  o 692.1404 7.563466 6453.148       140.6039 6177.312      190.7873 6781.049       208.0156 676.0634 10.48042 708.2175 10.90802 -32.15411      15.12693 
1 1 1 -21 11 7  o 148.1280 4.888714 292.1574       19.33199 324.1257      29.81135 268.9582       25.39560 155.0241 7.141656 141.2319 6.677937 13.79225       9.777428 
1 1 1 -21 11 8  o 350.6485 6.159876 1657.526       58.16040 0.000000      0.000000 1657.526       58.16040 ?        ?        350.6485 6.159876 ?              ?        
1 1 1 -21 11 9  o 539.1248 6.030208 3922.843       87.51895 3927.245      125.1719 3918.632       122.4152 539.4065 8.618013 538.8430 8.437030 0.5634766      12.06042 
1 1 1 -21 11 10 o 400.1267 4.763890 2156.026       51.26966 2216.108      74.64182 2102.361       70.54408 405.3879 6.837983 394.8656 6.634801 10.52234       9.527781 
1 1 1 -21 11 11 o 469.5399 5.377099 2965.776       67.82204 3089.888      100.1323 2860.574       92.18905 478.5701 7.770431 460.5096 7.434593 18.06042       10.75420 
1 1 1 -21 11 12 f 172.0782 4.265384 375.4675       18.91639 323.5753      23.04376 482.6856       33.12350 154.9475 5.523132 189.2090 6.501462 -34.26152      8.530767 
1 1 1 -21 11 13 o 341.2964 4.332458 1559.861       39.57318 1482.118      52.63168 1660.975       60.02396 331.5941 5.894637 350.9987 6.350907 -19.40460      8.664916 
1 1 1 -21 11 14 o 377.6180 6.458871 1922.575       65.67387 1922.575      65.67387 0.000000       0.000000 377.6180 6.458871 ?        ?        ?              ?        
1 1 1 -21 11 15 o 331.2922 4.273859 1476.686       38.07178 1428.106      52.18790 1531.952       55.66325 325.4854 5.954631 337.0990 6.132360 -11.61359      8.547717 
1 1 1 -21 11 16 o 173.4024 5.834589 405.3221       27.24261 405.3221      27.24261 0.000000       0.000000 173.4024 5.834589 ?        ?        ?              ?        
1 1 1 -21 11 17 o 135.3528 4.799531 247.1199       17.43431 246.5725      25.71006 247.5859       23.72150 135.2044 7.062019 135.5012 6.501530 -0.2968292     9.599063 
1 1 1 -21 11 18 o 160.3288 4.459386 349.4569       18.98576 329.5205      28.90144 364.5911       25.18120 156.2432 6.869654 164.4144 5.687914 -8.171219      8.918773 
1 1 1 -21 11 19 o 104.8752 6.461299 150.4116       17.58234 142.8262      28.63561 155.0017       22.27576 102.6527 10.35983 107.0978 7.724471 -4.445061      12.92260 
1 1 1 -21 11 20 o 92.34709 7.421730 114.8224       18.26722 122.1083      28.24312 109.5824       23.95160 94.80344 11.06382 89.89075 9.895463 4.912697       14.84346 
1 1 1 -21 11 21 o 33.15633 10.55045 -13.13447      19.12372 -8.283206     31.17258 -16.06211      24.21609 36.67889 16.17426 29.63376 13.55145 7.045130       21.10091 
1 1 1 -21 11 22 o 46.25357 14.03895 10.34732       23.22860 -30.62285     68.17568 15.72811       24.70691 51.36938 23.19132 41.13776 15.82819 10.23161       28.07791 
1 1 1 -21 11 23 o 50.99980 16.40869 -37.17078      47.93932 -15.88841     77.46539 -50.38021      61.02949 57.28252 25.36628 44.71708 20.82143 12.56544       32.81738 
1 1 1 -21 11 24 o 53.27353 16.79973 -2.814408      33.25533 -0.1882467    94.35284 -3.186922      35.53572 65.88826 28.61519 40.65880 17.60949 25.22946       33.59946 
1 1 1 -21 11 25 o 35.77686 12.90813 -159.0456      43.63091 -263.3137     103.0767 -136.2859      48.15795 42.86433 21.43391 28.68938 14.38982 14.17495       25.81627 
1 1 1 -21 11 26 f 94.49348 18.15542 158.0091       52.96899 38.12080      104.6742 199.2768       61.41248 71.83011 30.65129 117.1569 19.46729 -45.32675      36.31084 
1 1 1 -21 11 27 o 43.56607 14.21696 -22.52550      31.54451 -4.242544     67.60625 -27.61354      35.66475 52.99624 23.57143 34.13590 15.90204 18.86034       28.43391 
1 1 1 -21 11 28 o 61.93280 15.73131 51.01313       29.48149 66.61909      61.53004 46.36279       33.58801 67.49430 25.19961 56.37130 18.83815 11.12300       31.46261 
1 1 1 -21 11 29 f 100.8352 14.28934 182.0024       30.09178 130.0792      67.13295 195.0580       33.66301 84.14948 26.52503 117.5209 10.63786 -33.37144      28.57869 
1 1 1 -21 11 30 o 48.37399 15.13941 17.24888       30.93183 13.97892      78.07456 17.85770       33.68851 53.79604 24.49644 42.95194 17.79693 10.84409       30.27881 
1 1 1 -21 11 31 o 46.50762 15.04546 13.74241       31.88155 43.97493      80.70501 8.152065       34.70423 54.17216 24.75977 38.84308 17.10023 15.32908       30.09093 
1 1 1 -21 13 1  o 320.1638 4.424674 1384.635       38.14425 1384.481      53.78283 1384.791       54.10686 320.1490 6.238901 320.1785 6.275911 -0.2951050E-01 8.849347 
1 1 1 -21 13 2  f 241.8600 3.971592 789.0295       25.85309 807.6165      37.25866 771.7709       35.90262 244.6005 5.657004 239.1196 5.576063 5.480942       7.943184 
1 1 1 -21 13 3  o 278.4414 4.086300 1046.403       30.63599 1045.179      43.13227 1047.649       43.52202 278.2798 5.756220 278.6030 5.801494 -0.3232422     8.172601 
1 1 1 -21 13 4  o 57.19790 9.883446 46.42210       15.12374 50.76282      21.25279 41.96897       21.52621 59.89109 13.50135 54.50470 14.43757 5.386383       19.76689 
1 1 1 -21 13 5  o 38.61344 11.06569 8.462183       17.96716 11.96930      25.24031 4.859491       25.58192 39.91044 15.80783 37.31643 15.48904 2.594009       22.13138 
1 1 1 -21 13 6  o 279.6105 4.224076 1053.030       31.77865 1004.216      44.00053 1106.257       45.94618 272.8457 5.989044 286.3754 5.958409 -13.52975      8.448153 
1 1 1 -21 13 7  o 372.7409 4.667118 1868.625       46.72279 1944.412      69.07413 1804.703       63.43718 379.6723 6.756522 365.8095 6.440291 13.86279       9.334235 
1 1 1 -21 13 8  f 159.8018 3.978060 344.9540       16.88224 348.8048      22.18343 339.6544       26.02404 160.8800 5.120865 158.7236 6.089056 2.156387       7.956120 
1 1 1 -21 13 9  o 304.6971 4.067742 1250.744       33.35803 1229.821      46.33047 1273.266       48.06827 302.0562 5.696334 307.3380 5.808431 -5.281738      8.135484 
1 1 1 -21 13 10 o 143.5187 4.425928 281.3791       16.35112 290.9037      20.52011 264.8129       27.06249 146.9216 5.186932 140.1158 7.172941 6.805801       8.851855 
1 1 1 -21 13 11 o 158.9409 5.386972 340.4728       23.05493 340.4728      23.05493 0.000000       0.000000 158.9409 5.386972 ?        ?        ?              ?        
1 1 1 -21 13 12 o 195.8039 4.268209 522.3340       22.20471 558.7484      29.75856 476.5939       33.35220 203.6095 5.427883 187.9982 6.588513 15.61127       8.536417 
1 1 1 -21 13 13 o 358.8376 4.548002 1721.134       43.69500 1877.246      66.24232 1600.891       58.13629 373.1016 6.593637 344.5736 6.265878 28.52805       9.096004 
1 1 1 -21 13 14 o 52.34087 10.25628 36.44999       15.86906 18.43978      21.72863 57.03701       23.23110 41.07874 15.03996 63.60301 13.94863 -22.52427      20.51255 
1 1 1 -21 13 15 o 104.2560 6.091697 150.4585       16.69312 120.7878      24.63608 175.6449       22.69810 94.46831 9.685053 114.0437 7.391540 -19.57539      12.18339 
1 1 1 -21 13 16 o 225.3941 4.010446 684.4095       24.21565 694.4706      36.23893 676.2927       32.54959 226.8674 5.932256 223.9209 5.398430 2.946518       8.020892 
1 1 1 -21 13 17 o 70.52736 9.801913 71.26823       17.49937 61.33331      28.71077 77.14059       22.07338 65.65174 16.31308 75.40298 10.87169 -9.751244      19.60383 
1 1 1 -21 13 18 o 302.1772 4.315202 1233.343       35.09706 1207.200      49.97871 1258.779       49.29779 299.0017 6.207661 305.3527 5.995735 -6.350983      8.630404 
1 1 1 -21 13 19 o 214.9071 6.897108 667.6708       32.00997 557.9427      67.84643 699.0894       36.30460 202.2741 12.45671 227.5401 5.925436 -25.26602      13.79422 
1 1 1 -21 13 20 o 278.1050 6.706368 1081.960       47.35171 942.8357      78.77553 1160.666       59.25064 263.2826 11.11183 292.9273 7.511899 -29.64474      13.41274 
1 1 1 -21 13 21 o 77.44295 16.17251 79.18439       27.96193 87.92919      76.18072 77.82282       30.06005 81.01860 28.33321 73.86729 15.60224 7.151314       32.34502 
1 1 1 -21 13 22 o 168.3184 11.35989 305.2935       37.18690 533.8339      106.0245 273.2352       39.70951 194.9831 20.19416 141.6536 10.41079 53.32953       22.71979 
1 1 1 -21 13 23 o 92.35858 16.54586 160.7995       36.87179 34.16814      103.8345 179.0713       39.44233 71.25292 30.46963 113.4642 12.90982 -42.21131      33.09171 
1 1 1 -21 13 24 o 271.7080 18.34239 1014.137       134.1967 1014.137      134.1967 0.000000       0.000000 271.7080 18.34239 ?        ?        ?              ?        
1 1 1 -21 13 25 o 37.75833 13.31442 -71.16778      38.80502 -173.0111     101.3656 -53.67936      42.00487 43.16689 21.53418 32.34977 15.66444 10.81712       26.62885 
1 1 1 -21 13 26 o 54.83848 14.74784 39.19469       31.04424 -57.25483     77.75925 57.48255       33.85973 48.18394 22.77041 61.49302 18.74843 -13.30907      29.49568 
1 1 1 -21 13 27 o 81.14199 14.86530 103.6890       28.23928 92.88102      66.90325 106.0320       31.15016 75.81976 26.54990 86.46422 13.37952 -10.64445      29.73060 
1 1 1 -21 13 28 o 52.44769 14.06230 37.18612       30.99924 -127.4332     87.27102 60.95544       33.16179 43.02346 21.19634 61.87193 18.48535 -18.84847      28.12460 
1 1 1 -21 13 29 o 61.66758 17.20310 59.31865       32.52347 57.57086      104.6767 59.50540       34.21698 63.58525 28.71869 59.74990 18.94792 3.835346       34.40620 
1 1 1 -21 13 30 o 48.16447 15.01809 28.94982       33.21157 -32.71247     96.56743 37.22176       35.36914 48.10872 23.40085 48.22022 18.83010 -0.1114998     30.03618 
1 1 1 -21 13 31 o 51.87007 16.34683 23.52568       34.60628 148.6842      84.53220 -1.673830      37.93045 67.24762 28.05439 36.49253 16.78769 30.75509       32.69366 
1 1 1 -21 15 1  o 213.7202 4.504713 615.1452       25.79428 641.1452      38.77119 594.4987       34.54990 217.7203 6.613431 209.7202 6.118191 8.000015       9.009425 
1 1 1 -21 15 2  o 170.3504 4.655610 396.3659       21.10648 358.5670      31.38157 427.5882       28.52118 162.7934 7.159036 177.9075 5.953739 -15.11417      9.311219 
1 1 1 -21 15 3  o 71.53089 8.950991 74.82838       15.99014 56.75196      25.38319 86.72134       20.58899 63.10220 15.13392 79.95959 9.562714 -16.85739      17.90198 
1 1 1 -21 15 4  o 39.87551 10.32921 14.50803       15.98479 -6.624048     24.44781 30.28776       21.12607 32.51453 14.33157 47.23650 14.87871 -14.72197      20.65841 
1 1 1 -21 15 5  o 228.9525 4.117397 707.9622       25.36432 714.5387      35.28623 700.9312       36.48492 230.0668 5.695973 227.8381 5.947077 2.228668       8.234795 
1 1 1 -21 15 6  o 413.0427 4.980428 2304.957       55.37516 2343.320      79.50188 2268.807       77.17459 416.3685 7.091141 409.7169 6.995312 6.651642       9.960856 
1 1 1 -21 15 7  o 139.7240 4.129404 269.1654       15.06581 291.0941      19.57382 237.2913       23.59875 146.9064 4.948247 132.5415 6.612317 14.36493       8.258807 
1 1 1 -21 15 8  o 222.2046 3.767264 664.0771       22.44878 645.1455      30.22939 687.3542       33.51968 218.7003 5.133299 225.7089 5.515282 -7.008636      7.534527 
1 1 1 -21 15 9  o 463.7041 5.409207 2878.271       67.12058 2666.640      89.06968 3156.384       102.1058 444.2173 7.446479 483.1909 7.847805 -38.97354      10.81841 
1 1 1 -21 15 10 o 364.1646 4.677907 1789.177       45.84625 1833.234      66.16090 1748.480       63.58837 368.4654 6.668395 359.8638 6.562301 8.601624       9.355815 
1 1 1 -21 15 11 o 267.9080 4.264298 969.2026       30.72688 981.3900      42.60353 955.9905       44.35831 269.6814 5.866934 266.1345 6.189997 3.546875       8.528597 
1 1 1 -21 15 12 o 255.3699 4.130499 873.7647       28.29160 809.4174      38.01987 953.6046       42.35025 244.9174 5.765110 265.8224 5.916721 -20.90495      8.260998 
1 1 1 -21 15 13 o 99.21079 6.449951 131.7355       17.00900 142.7962      26.66256 124.1453       22.08704 102.6462 9.646626 95.77534 8.564467 6.870895       12.89990 
1 1 1 -21 15 14 o 325.1773 6.257949 1427.853       54.79434 1427.853      54.79434 0.000000       0.000000 325.1773 6.257949 ?        ?        ?              ?        
1 1 1 -21 15 15 o 88.43976 12.99185 104.7045       19.97788 117.0157      60.36389 103.1902       21.17096 89.61451 24.37161 87.26501 9.009836 2.349495       25.98370 
1 1 1 -21 15 16 o 401.6573 6.373690 2157.541       61.21608 2250.651      118.8795 2123.942       71.41192 406.8679 10.85101 396.4468 6.689634 10.42105       12.74738 
1 1 1 -21 15 17 o 275.7997 6.134189 998.1049       36.81414 1086.673      82.78765 976.2744       41.10149 282.6841 10.87629 268.9154 5.676210 13.76865       12.26838 
1 1 1 -21 15 18 o 312.6062 6.296448 1275.162       44.49945 1415.925      95.35533 1235.972       50.31417 322.6985 10.97399 302.5138 6.176774 20.18469       12.59290 
1 1 1 -21 15 19 o 90.83423 13.17825 181.6352       31.27376 -44.54583     79.00763 223.6583       34.05530 53.40543 24.44248 128.2630 9.860520 -74.85760      26.35649 
1 1 1 -21 15 20 o 103.1069 16.55876 129.9025       31.01057 190.3379      94.29877 122.5741       32.83694 111.6176 30.50537 94.59621 12.89156 17.02138       33.11752 
1 1 1 -21 15 21 o 147.2410 13.32268 272.2934       36.07286 360.0837      103.4977 260.1541       38.48615 156.5861 24.54674 137.8959 10.36501 18.69022       26.64537 
1 1 1 -21 15 22 o 40.09180 20.22388 -485.4711      80.66463 -753.0964     130.6865 -320.7579      102.5254 ?        ?        40.09180 20.22388 ?              ?        
1 1 1 -21 15 23 o 57.05866 19.64757 -136.0680      53.02974 21.26480      150.0101 -158.5374      56.69013 82.94300 36.05162 31.17432 15.63293 51.76868       39.29514 
1 1 1 -21 15 24 o 57.75676 18.00010 8.559842       33.34934 44.95987      108.3365 4.749508       35.05140 73.58142 31.28537 41.93209 17.81125 31.64933       36.00020 
1 1 1 -21 15 25 o 96.39803 14.35438 200.4509       29.47678 48.46374      79.10144 224.9600       31.76467 65.27770 27.17742 127.5183 9.250992 -62.24064      28.70876 
1 1 1 -21 15 26 o 37.16439 12.76368 -33.43357      26.55767 -56.49706     70.88273 -29.66725      28.64416 45.32872 21.51475 29.00006 13.73904 16.32866       25.52736 
1 1 1 -21 15 27 o 39.32634 13.31020 -19.69709      29.07500 -109.4795     86.54162 -8.273705      30.86930 43.93347 21.53697 34.71921 15.64624 9.214264       26.62040 
1 1 1 -21 15 28 f 46.40582 15.24229 8.676769       32.36165 -98.08224     119.7987 17.08043       33.61122 50.38007 24.82336 42.43157 17.69492 7.948502       30.48458 
1 1 1 -21 15 29 o 55.11993 17.56138 4.620228       33.72755 198.1479      103.3450 -18.44959      35.68124 77.02933 31.46276 33.21054 15.61099 43.81879       35.12276 
1 1 1 -21 17 1  o 394.2290 7.678677 2100.227       81.51140 0.000000      0.000000 2100.227       81.51140 ?        ?        394.2290 7.678677 ?              ?        
1 1 1 -21 17 2  o 257.4893 6.014126 908.1417       41.69798 0.000000      0.000000 908.1417       41.69798 ?        ?        257.4893 6.014126 ?              ?        
1 1 1 -21 17 3  o 144.9943 4.431028 284.3619       17.09851 229.8489      23.63129 344.2589       24.77081 130.3558 6.732459 159.6329 5.762814 -29.27707      8.862056 
1 1 1 -21 17 4  o 254.6888 4.048875 876.5894       27.67308 879.5320      37.65585 873.1336       40.80483 255.1905 5.480052 254.1871 5.961761 1.003342       8.097751 
1 1 1 -21 17 5  o 85.77943 12.96700 100.8139       29.95064 0.000000      0.000000 100.8139       29.95064 ?        ?        85.77943 12.96700 ?              ?        
1 1 1 -21 17 6  o 118.5902 9.173550 190.8563       29.29339 0.000000      0.000000 190.8563       29.29339 ?        ?        118.5902 9.173550 ?              ?        
1 1 1 -21 17 7  o 142.2643 4.754183 274.5511       17.84668 278.8118      23.14472 268.3025       28.02887 143.6876 5.982040 140.8411 7.390821 2.846436       9.508367 
1 1 1 -21 17 8  o 138.2558 5.154442 252.0082       18.85915 225.7452      24.10893 293.4179       30.27306 129.2352 6.928092 147.2764 7.633783 -18.04114      10.30888 
1 1 1 -21 17 9  o 200.8416 6.578411 544.9964       35.57608 0.000000      0.000000 544.9964       35.57608 ?        ?        200.8416 6.578411 ?              ?        
1 1 1 -21 17 10 o 213.4656 7.873453 629.2495       33.68747 605.3671      81.60858 634.1549       36.98567 210.2583 14.41449 216.6728 6.339364 -6.414505      15.74691 
1 1 1 -21 17 11 o 171.2925 8.425482 386.9977       26.95519 417.5751      73.19204 382.1997       28.99297 174.3802 15.58775 168.2048 6.401340 6.175385       16.85096 
1 1 1 -21 17 12 o 206.3064 7.774971 556.9996       27.84565 607.7513      82.62980 550.4976       29.57561 210.6472 14.56792 201.9655 5.438423 8.681702       15.54994 
1 1 1 -21 17 13 o 66.81364 15.54389 53.15813       22.36696 59.74067      73.45309 52.48538       23.48213 72.90694 27.47155 60.72034 14.55212 12.18660       31.08778 
1 1 1 -21 17 14 o 223.9501 7.161793 645.3097       30.24831 732.9686      82.25481 631.6016       32.52755 231.5976 13.18997 216.3027 5.584779 15.29488       14.32359 
1 1 1 -21 17 15 o 44.80895 14.56846 -16.27155      24.72636 -0.7870017    74.55439 -18.18528      26.20982 59.05144 25.54098 30.56647 14.02206 28.48497       29.13692 
1 1 1 -21 17 16 o 148.9695 11.38557 324.0677       28.40262 284.7080      82.57522 329.3491       30.24825 141.9607 21.60222 155.9783 7.201990 -14.01767      22.77113 
1 1 1 -21 17 17 o 189.0081 8.998209 429.5972       32.81123 580.1547      90.06282 406.5563       35.23256 204.7569 16.33517 173.2594 7.552036 31.49753       17.99642 
1 1 1 -21 17 18 o 91.07693 16.80562 123.5750       32.57222 101.0981      90.36133 126.9317       34.91980 86.03794 30.78421 96.11591 13.49252 -10.07797      33.61125 
1 1 1 -21 17 19 o ?        ?        -174.2274      34.90916 -395.0191     101.7809 -144.7912      37.16343 ?        ?        ?        ?        ?              ?        
1 1 1 -21 17 20 o 233.4198 21.30931 753.5048       133.9339 753.5048      133.9339 0.000000       0.000000 233.4198 21.30931 ?        ?        ?              ?        
1 1 1 -21 17 21 o 26.00480 13.05221 -152.3058      38.19943 -581.4379     130.1610 -111.8614      39.95899 ?        ?        26.00480 13.05221 ?              ?        
1 1 1 -21 17 22 o 76.75522 13.86474 119.5741       30.82451 -115.8227     103.5467 142.4627       32.28835 52.12947 25.08038 101.3810 11.82786 -49.25149      27.72948 
1 1 1 -21 17 23 o 89.47568 16.28703 143.0029       29.91452 89.83241      95.50887 148.7864       31.49948 75.97036 30.52916 102.9810 11.35960 -27.01063      32.57407 
1 1 1 -21 17 24 o 54.07008 16.35777 21.12399       27.73892 30.46556      89.31985 20.12686       29.18183 64.31539 27.88673 43.82476 17.10664 20.49063       32.71554 
1 1 1 -21 17 25 o 105.2102 15.67750 224.8306       32.55791 120.0555      86.01308 242.3533       35.17524 79.02320 29.73710 131.3972 9.941857 -52.37400      31.35500 
1 1 1 -21 17 26 o 48.28336 14.99019 16.70665       34.98666 -107.8525     98.75980 34.58224       37.41301 46.51593 22.84401 50.05080 19.41582 -3.534878      29.98038 
1 1 1 -21 17 27 o 69.47536 15.17013 105.6857       34.32478 -7.628548     105.2299 119.1778       36.31081 53.33199 25.56029 85.61872 16.34636 -32.28673      30.34027 
1 1 1 -21 17 28 o 43.05891 14.58779 4.001350       34.47279 -13.68453     106.6238 6.065877       36.42933 48.15140 23.66520 37.96642 17.06377 10.18498       29.17557 
1 1 1 -21 19 1  o 321.3144 7.270090 1340.569       47.79197 1294.770      52.27615 1573.691       117.9421 308.4562 6.293999 334.1726 13.10734 -25.71634      14.54018 
1 1 1 -21 19 2  o 53.95670 15.76355 -2.560128      11.63507 -4.981226     11.74482 125.1761       85.30949 21.65861 9.714873 86.25479 29.99299 -64.59618      31.52711 
1 1 1 -21 19 3  o 217.7505 12.65821 680.2392       73.14894 549.4694      102.5522 815.6812       104.3682 195.1608 19.51502 240.3403 16.12717 -45.17949      25.31643 
1 1 1 -21 19 4  o 244.6146 14.55361 839.1432       91.50651 547.9595      126.5486 1158.234       132.4742 198.4184 23.68601 290.8109 16.91754 -92.39246      29.10723 
1 1 1 -21 19 5  o 37.40908 13.75913 -130.4825      36.69836 -220.3836     113.8250 -120.0534      38.76861 49.77168 24.45945 25.04649 12.60913 24.72518       27.51826 
1 1 1 -21 19 6  o 65.10926 18.51252 34.40238       31.13868 119.9977      103.3675 25.85963       32.65561 82.94630 32.24607 47.27222 18.19464 35.67408       37.02504 
1 1 1 -21 19 7  o 127.5401 14.65418 215.3592       30.44977 310.9989      96.19447 204.7089       32.10044 133.8321 27.60991 121.2482 9.832238 12.58391       29.30836 
1 1 1 -21 19 8  o 380.0466 7.811646 1986.636       74.24306 1962.439      131.6342 1997.924       89.90794 377.0517 12.96536 383.0414 8.717037 -5.989716      15.62329 
1 1 1 -21 19 9  o 86.53748 16.23108 116.3359       29.99337 74.34985      87.63844 121.9061       31.92100 78.77520 29.92912 94.29974 12.57137 -15.52454      32.46215 
1 1 1 -21 19 10 f 86.55981 14.34293 149.9522       28.43890 -6.542888     84.61581 169.8809       30.19542 61.39557 26.87256 111.7241 10.03716 -50.32848      28.68587 
1 1 1 -21 19 11 o 335.3528 7.423405 1386.803       50.83316 1766.011      128.5199 1316.477       55.34644 358.7397 13.30477 311.9659 6.588691 46.77383       14.84681 
1 1 1 -21 19 12 o 402.1678 8.165820 2252.562       83.11420 2086.960      141.5975 2339.610       102.6602 389.5381 13.49964 414.7976 9.191418 -25.25952      16.33164 
1 1 1 -21 19 13 o 84.81724 17.86957 83.45113       29.15744 148.0279      96.66191 76.98723       30.58193 96.83017 31.94076 72.80431 16.03351 24.02586       35.73913 
1 1 1 -21 19 14 o 205.9836 10.07183 619.4540       33.91742 619.0339      102.7017 619.5055       35.93355 199.2564 19.14177 212.7108 6.273750 -13.45442      20.14366 
1 1 1 -21 19 15 o 130.9235 16.02415 256.2994       34.37440 266.6974      102.0745 254.9694       36.50672 125.7958 30.45960 136.0511 9.965227 -10.25533      32.04829 
1 1 1 -21 19 16 f 76.96922 31.77144 -291.4723      69.57989 34.83983      106.7820 -532.2564      91.72665 76.96922 31.77144 ?        ?        ?              ?        
1 1 1 -21 19 17 o 323.8834 16.00160 1435.094       139.5518 1435.094      139.5518 0.000000       0.000000 323.8834 16.00160 ?        ?        ?              ?        
1 1 1 -21 19 18 o 39.12706 19.83945 -185.1699      34.66932 -323.9032     106.7802 -168.8217      36.65514 39.12706 19.83945 ?        ?        ?              ?        
1 1 1 -21 19 19 o 66.04115 19.52053 21.82858       59.56723 85.01801      91.35921 -24.89933      78.56304 78.05504 30.32337 54.02725 24.59060 24.02779       39.04106 
1 1 1 -21 19 20 o 50.02688 15.65398 10.47702       28.72465 2.109989      85.29017 11.54748       30.50684 58.79799 26.29017 41.25577 17.00045 17.54222       31.30796 
1 1 1 -21 19 21 o 49.72068 15.37931 13.49196       28.49932 -0.6145832    80.87661 15.49194       30.45265 56.88876 25.50691 42.55260 17.18983 14.33616       30.75862 
1 1 1 -21 19 22 o 48.97767 14.46391 20.75484       29.93791 -109.7925     88.41665 37.66034       31.81735 46.06947 22.40489 51.88586 18.29863 -5.816395      28.92782 
1 1 1 -21 19 23 o 43.87662 14.24076 -4.341931      32.77291 -118.5920     91.77776 12.35562       35.08615 45.05206 22.10416 42.70117 17.96117 2.350895       28.48153 
1 1 1 -21 19 24 o 55.29905 16.78983 32.83569       34.44955 44.32682      92.74037 30.99628       37.10444 61.78715 27.53578 48.81094 19.21912 12.97620       33.57966 
1 1 1 -21 19 25 o 50.61523 15.85180 26.65227       35.56709 9.325770      90.84811 29.78867       38.65240 53.75253 25.15230 47.47792 19.29975 6.274609       31.70360 
1 1 1 -21 19 26 o 46.45288 14.13022 22.04302       38.02105 -212.0139     105.3035 57.13010       40.77140 38.34130 19.46814 54.56446 20.48522 -16.22316      28.26044 
1 1 1 -21 19 27 o 56.02303 17.42762 58.06598       38.08204 152.1526      104.6945 43.71917       40.88254 63.40836 28.67241 48.63770 19.81867 14.77066       34.85523 
1 1 1 -21 21 1  o 58.70519 17.83891 20.42972       52.49502 77.01463      78.47595 -25.39578      70.62197 68.98772 27.69089 48.42267 22.49717 20.56504       35.67783 
1 1 1 -21 21 2  o 143.4165 14.91568 313.0821       56.28426 334.4410      90.47224 299.5961       71.88974 145.5856 23.07882 141.2474 18.90180 4.338150       29.83136 
1 1 1 -21 21 3  o 135.0661 17.58477 323.1482       58.95148 179.7232      91.54889 424.7481       77.05263 99.62328 30.90702 170.5089 16.78251 -70.88560      35.16954 
1 1 1 -21 21 4  o 54.54268 17.69966 -23.23586      59.07586 3.017231      87.19871 -45.50854      80.31673 58.89170 26.43940 50.19367 23.53868 8.698029       35.39931 
1 1 1 -21 21 5  o 39.87223 12.79210 6.834711       17.15419 -82.86302     77.98078 11.39600       17.58494 45.48111 21.85202 34.26334 13.30567 11.21777       25.58421 
1 1 1 -21 21 6  o 192.6455 8.598148 468.6106       31.83866 588.2187      86.07472 449.6515       34.26926 203.5255 15.70629 181.7655 7.001803 21.75993       17.19630 
1 1 1 -21 21 7  o 73.58640 16.52433 87.18915       33.76040 32.80898      87.03035 96.82166       36.62861 66.38483 28.12474 80.78795 17.35548 -14.40311      33.04866 
1 1 1 -21 21 8  o 38.98713 13.79526 -52.94824      23.45248 -6.813470     81.75866 -57.08471      24.48129 56.19778 25.38159 21.77647 10.81717 34.42131       27.59051 
1 1 1 -21 21 9  o 87.44534 16.45866 61.70053       23.45457 276.6400      92.46635 46.92014       24.24759 119.8784 28.96833 55.01230 15.63285 64.86610       32.91732 
1 1 1 -21 21 10 o 101.6562 15.09570 134.5585       24.04669 232.9756      84.67871 125.9258       25.07917 108.9005 28.53418 94.41186 9.865138 14.48859       30.19140 
1 1 1 -21 21 11 o 65.91723 15.62888 72.42503       25.11258 38.32287      97.27292 74.86023       25.99375 61.77739 27.81326 70.05707 14.26428 -8.279682      31.25775 
1 1 1 -21 21 12 o 49.43384 16.09872 -21.70024      26.08739 89.67451      91.17876 -31.63030      27.22553 71.48371 29.41584 27.38396 13.09136 44.09975       32.19744 
1 1 1 -21 21 13 o 62.69095 16.38971 54.99250       28.80105 11.73397      93.78180 59.49728       30.26354 62.65051 27.81857 62.73139 17.33833 -0.8087921E-01 32.77942 
1 1 1 -21 21 14 o 142.0547 13.86111 304.3776       29.82249 285.5709      92.72878 306.5472       31.49579 134.1989 26.60153 149.9105 7.802557 -15.71167      27.72222 
1 1 1 -21 21 15 o 129.1541 15.04406 277.1768       30.43171 216.3214      88.84078 285.2665       32.39130 113.9307 28.91148 144.3774 8.331933 -30.44674      30.08812 
1 1 1 -21 21 16 o 48.23197 15.22516 7.179061       27.85212 -4.022459     81.93743 8.642427       29.61559 56.70983 25.52976 39.75411 16.59679 16.95572       30.45032 
1 1 1 -21 21 17 o 42.88922 13.64021 0.6505926      27.55170 -91.66582     78.20927 13.73054       29.43891 44.39085 21.46574 41.38760 16.83577 3.003246       27.28041 
1 1 1 -21 21 18 o 39.32163 13.85555 -53.92487      27.99884 -39.78328     85.85048 -55.60806      29.61827 53.08079 24.70890 25.56248 12.54492 27.51831       27.71110 
1 1 1 -21 21 19 o 46.03526 15.33419 -23.05784      30.34720 15.86099      87.09176 -28.43633      32.37632 60.42344 26.81987 31.64709 14.87427 28.77634       30.66838 
1 1 1 -21 21 20 o 42.48852 14.45198 -29.22885      30.34430 -9.707935     83.86507 -32.16941      32.54964 54.21507 24.94869 30.76198 14.59459 23.45309       28.90397 
1 1 1 -21 21 21 o 61.78635 16.30671 60.76653       31.75244 37.54203      84.62775 64.57166       34.25499 60.50539 26.66702 63.06730 18.77511 -2.561901      32.61341 
1 1 1 -21 21 22 f 57.15159 16.02873 49.84534       32.44304 47.09701      74.41725 50.49028       36.04921 58.70423 25.45401 55.59896 19.48778 3.105270       32.05745 
1 1 1 -21 21 23 o 44.60339 14.86282 -7.952226      34.62022 23.10148      82.87045 -14.51776      38.10466 53.45749 24.67210 35.74930 16.58013 17.70819       29.72563 
1 1 1 -21 21 24 o 49.85621 15.11696 42.86160       34.66981 -0.4384006    87.07267 51.01979       37.79504 47.66431 22.94891 52.04811 19.68342 -4.383804      30.23392 
1 1 1 -21 21 25 o 47.99293 15.02661 38.27635       36.23447 -24.93005     101.3945 47.53001       38.79634 46.10628 22.74061 49.87957 19.64843 -3.773289      30.05322 
1 1 1 -21 23 1  o 47.37630 15.69512 -7.295887      50.25621 -11.81154     73.72550 -3.376285      68.68765 47.37651 22.32234 47.37608 22.06944 0.4386902E-03  31.39023 
1 1 1 -21 23 2  o 77.21767 19.33052 125.1178       50.07294 133.7482      74.60651 118.0436       67.54637 78.78321 27.99506 75.65212 26.66369 3.131088       38.66103 
1 1 1 -21 23 3  o 52.34496 16.68782 10.25766       49.88891 -3.561120     74.64067 21.41599       67.07185 51.17559 23.54506 53.51432 23.65510 -2.338726      33.37564 
1 1 1 -21 23 4  o 61.04002 17.68973 50.84100       47.70240 77.48814      65.96387 21.62881       69.06577 67.19125 25.85990 54.88881 24.14482 12.30244       35.37947 
1 1 1 -21 23 5  o 104.1012 18.99775 196.8596       53.19418 211.1230      81.50151 186.2744       70.21073 106.0628 28.09176 102.1396 25.58340 3.923157       37.99549 
1 1 1 -21 23 6  o 44.13905 13.48761 17.02829       14.33211 -20.66996     79.37417 18.29880       14.57162 51.67242 23.95260 36.60567 12.40708 15.06675       26.97523 
1 1 1 -21 23 7  o 55.93838 14.88144 33.49765       16.59505 58.38897      75.15417 32.22178       17.01504 65.21072 26.75526 46.66604 13.03781 18.54469       29.76287 
1 1 1 -21 23 8  o 129.3931 12.24060 254.7415       18.24379 243.6622      75.65792 255.4255       18.79850 121.6710 23.94587 137.1152 5.091598 -15.44428      24.48120 
1 1 1 -21 23 9  o 87.21950 13.86273 97.53922       16.40912 143.2648      69.70377 94.85648       16.88363 91.26363 26.68093 83.17536 7.538548 8.088272       27.72547 
1 1 1 -21 23 10 o 55.11353 14.97291 25.07941       17.56277 73.80870      68.92679 21.69601       18.16225 69.95988 26.55143 40.26717 13.84825 29.69271       29.94582 
1 1 1 -21 23 11 o 145.4859 9.676803 287.7261       21.96545 319.6816      72.63895 284.5100       23.04430 146.4047 18.42600 144.5672 5.919847 1.837585       19.35361 
1 1 1 -21 23 12 o 140.5917 10.82601 266.1074       24.49115 313.1667      78.99460 261.1030       25.76050 143.0001 20.51529 138.1832 6.923339 4.816925       21.65201 
1 1 1 -21 23 13 o 63.58390 14.67879 64.63605       24.46061 27.00640      73.80058 69.27996       25.92606 59.07436 25.48136 68.09344 14.57972 -9.019081      29.35758 
1 1 1 -21 23 14 o 60.04641 16.41517 33.17851       24.41719 100.6619      78.93692 26.03837       25.67646 75.50119 28.47188 44.59163 16.34575 30.90956       32.83035 
1 1 1 -21 23 15 o 115.3480 14.54433 190.6070       38.09422 263.2668      80.02307 169.3165       43.31727 123.5472 24.91458 107.1488 15.01380 16.39840       29.08866 
1 1 1 -21 23 16 o 147.0327 11.18698 302.1693       29.11261 352.3463      83.42237 295.2111       31.06569 147.9993 20.93338 146.0660 7.898570 1.933304       22.37395 
1 1 1 -21 23 17 o 92.60748 15.53814 112.2022       28.42299 208.5572      78.29025 97.57435       30.50427 105.0323 27.39621 80.18264 14.66910 24.84969       31.07628 
1 1 1 -21 23 18 o 47.12979 14.17393 21.91193       29.12419 -43.02251     74.47103 33.63647       31.64446 45.83394 21.83931 48.42564 18.07336 -2.591702      28.34787 
1 1 1 -21 23 19 o 80.43053 16.63369 55.81463       32.39399 279.7596      86.88092 19.65462       34.91146 117.2693 27.91634 43.59180 18.09408 73.67747       33.26737 
1 1 1 -21 23 20 o 67.25166 14.84741 94.75363       31.85842 32.46555      78.94279 106.8717       34.81979 54.01548 24.61026 80.48785 16.61680 -26.47237      29.69483 
1 1 1 -21 23 21 o 46.54966 15.02290 21.33738       34.21047 21.53189      85.93468 21.30075       37.29301 50.43571 23.86611 42.66361 18.25266 7.772099       30.04581 
1 1 1 -21 23 22 o 41.02039 13.48185 5.041391       34.47937 -111.5051     93.36924 23.44408       37.10179 39.69731 19.92844 42.34346 18.16311 -2.646145      26.96370 
1 1 1 -21 25 3  o 47.14145 15.55674 13.58929       49.74576 -33.12680     69.48546 62.70815       71.24998 40.77120 19.83601 53.51171 23.97043 -12.74051      31.11348 
1 1 1 -21 25 4  o 72.25330 19.58031 146.2735       53.24419 162.7633      78.37415 132.1400       72.55894 75.12359 28.36036 69.38300 27.00454 5.740585       39.16063 
1 1 1 -21 25 5  o 49.39044 16.27238 13.08276       53.38070 -10.14054     79.90636 31.79984       71.73622 47.26533 22.54918 51.51556 23.46692 -4.250229      32.54477 
1 1 1 -21 25 6  o 77.31846 14.42096 109.6160       17.74462 104.3274      84.00061 109.8630       18.15430 66.20316 27.81605 88.43376 7.623917 -22.23061      28.84193 
1 1 1 -21 25 7  o 54.59152 15.03059 41.26453       20.76378 59.57116      81.59879 39.99709       21.47053 59.19085 26.13149 49.99219 14.86002 9.198654       30.06118 
1 1 1 -21 25 8  o 43.16258 12.54796 23.34052       15.67208 -49.46250     77.49348 26.44514       16.00276 44.59418 21.51589 41.73099 12.91789 2.863194       25.09592 
1 1 1 -21 25 9  o 60.15430 14.91954 45.02552       17.04625 95.90960      74.51472 42.21557       17.51060 67.82738 27.06737 52.48122 12.55897 15.34616       29.83907 
1 1 1 -21 25 10 o 39.92938 13.50539 -7.297217      16.54424 35.14531      72.84195 -9.605738      16.98821 55.36871 24.55435 24.49006 11.25461 30.87865       27.01078 
1 1 1 -21 25 11 o 59.04580 15.40356 41.29479       20.13964 103.3741      72.18566 36.05466       20.97241 70.10069 27.03171 47.99091 14.77720 22.10977       30.80712 
1 1 1 -21 25 12 o 75.56894 14.14237 105.7080       22.98813 80.86858      72.45666 108.4881       24.24049 64.31535 26.31570 86.82253 10.36873 -22.50717      28.28475 
1 1 1 -21 25 13 o 61.12597 13.90386 72.99568       26.36536 -7.417599     81.22676 82.46564       27.87463 50.01651 23.52461 72.23542 14.82775 -22.21891      27.80773 
1 1 1 -21 25 14 f 37.45324 13.14181 -31.11444      25.61651 -14.36504     80.48090 -33.00262      27.02185 48.51301 22.99679 26.39347 12.72699 22.11954       26.28362 
1 1 1 -21 25 15 o 51.61516 13.86183 46.82106       27.64328 -54.92188     83.59621 59.31219       29.29107 44.42011 21.64349 58.81020 17.32514 -14.39009      27.72365 
1 1 1 -21 25 16 o 69.43484 17.12290 82.91299       29.60651 158.7413      86.28201 72.79322       31.52025 74.64440 29.33417 64.22530 17.67147 10.41911       34.24579 
1 1 1 -21 25 17 o 54.22231 14.07585 62.22540       32.39384 -47.62486     82.60307 82.18979       35.21468 42.52461 20.88552 65.92001 18.87625 -23.39539      28.15169 
1 1 1 -21 25 18 o 44.23755 14.87896 -0.3415161E-01 32.89886 74.38874      85.90108 -12.82673      35.61430 54.97241 25.27962 33.50268 15.69953 21.46973       29.75793 
1 1 1 -20 0  1  o 844.5165 12.93284 9681.019       293.7313 9804.194      420.1765 9563.289       410.7803 849.7401 18.38321 839.2930 18.19590 -0.000000      0.000000 
1 1 1 -20 0  2  o 132.4368 6.853394 238.5184       24.02130 222.3714      32.09147 259.0936       36.22546 127.3500 9.479258 137.5235 9.900489 -0.000000      0.000000 
1 1 1 -20 0  3  o 85.59415 11.40593 109.9913       23.18083 101.8402      34.66041 116.5878       31.18033 81.36055 18.10581 89.82774 13.87663 -0.000000      0.000000 
1 1 1 -20 0  4  o 120.4703 7.333891 201.7628       23.04951 189.7294      34.91024 211.0625       30.68989 116.9059 11.33469 124.0346 9.309596 -0.000000      0.000000 
1 1 1 -20 0  5  f 504.3737 8.011452 3444.412       108.6761 3461.642      153.2545 3426.984       154.1318 505.6597 11.26831 503.0876 11.39117 -0.000000      0.000000 
1 1 1 -20 0  6  f 469.4188 7.548510 2982.998       95.28992 3004.533      134.0530 2961.001       135.4789 471.1569 10.57845 467.6806 10.77108 -0.000000      0.000000 
1 1 1 -20 0  7  o 141.2606 6.279556 269.6041       23.44039 253.3067      30.72155 292.3107       36.26274 136.2403 8.448869 146.2810 9.292358 -0.000000      0.000000 
1 1 1 -20 0  8  o 419.4323 6.778656 2378.018       76.40985 2358.751      105.8357 2398.993       110.4304 417.6869 9.421000 421.1778 9.749125 -0.000000      0.000000 
1 1 1 -20 0  9  o 487.7302 7.668282 3211.408       100.3725 3110.079      136.6582 3330.100       147.9040 479.4405 10.59734 496.0199 11.08632 -0.000000      0.000000 
1 1 1 -20 0  10 o 53.32413 13.90060 52.14457       18.64328 56.05972      24.83916 47.09358       28.21309 57.20177 18.29416 49.44650 20.93395 -0.000000      0.000000 
1 1 1 -20 0  11 o 288.8055 5.310824 1127.079       41.21758 1123.359      57.37496 1131.047       59.25123 288.3278 7.401159 289.2833 7.618547 -0.000000      0.000000 
1 1 1 -20 0  12 o 510.5474 7.987976 3525.947       109.6431 3593.717      157.9407 3462.906       152.3290 515.2629 11.39625 505.8319 11.19628 -0.000000      0.000000 
1 1 1 -20 0  13 o 318.4286 5.742999 1359.620       48.90546 1474.388      73.98447 1270.554       65.17553 330.2579 8.331611 306.5994 7.906478 -0.000000      0.000000 
1 1 1 -20 0  14 o 25.88434 12.20600 -12.01113      23.65555 -34.82660     38.90071 1.376159       29.79814 24.17229 16.81441 27.59639 17.69806 -0.000000      0.000000 
1 1 1 -20 0  15 o 193.3672 6.171474 508.4618       31.80271 499.5901      47.31805 515.7712       42.95018 191.7243 9.214226 195.0102 8.212575 -0.000000      0.000000 
1 1 1 -20 0  16 o 26.32446 12.37684 -21.50762      26.14252 9.339353      32.58750 -77.20380      43.78823 31.30497 19.40433 21.34396 15.36934 -0.000000      0.000000 
1 1 1 -20 0  17 o 436.7593 7.250105 2579.496       85.14564 2620.460      120.1046 2538.107       120.7260 440.2712 10.14324 433.2475 10.36198 -0.000000      0.000000 
1 1 1 -20 0  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  20 o 275.7780 6.020864 985.7112       41.52768 918.6971      49.54683 1143.951       76.13614 260.8125 7.066845 290.7435 9.750022 -0.000000      0.000000 
1 1 1 -20 0  21 o 371.4458 6.575558 1870.209       65.42796 1966.379      90.30924 1763.966       94.92117 381.6146 8.799248 361.2769 9.773693 -0.000000      0.000000 
1 1 1 -20 0  22 o 195.5875 6.022583 505.1101       30.12676 476.0993      36.91918 562.9286       52.12019 187.5300 7.336862 203.6449 9.552826 -0.000000      0.000000 
1 1 1 -20 0  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  24 o 39.43068 15.32132 28.83366       24.11591 38.07275      32.95824 18.18660       35.38054 43.58244 22.25696 35.27893 21.06180 -0.000000      0.000000 
1 1 1 -20 0  25 o 101.0874 11.24806 149.9849       25.71505 215.8676      38.17485 95.25771       34.79310 124.7053 11.59931 77.46959 19.27514 -0.000000      0.000000 
1 1 1 -20 0  26 o 23.22200 11.52860 -42.36074      27.73106 -56.02386     41.76093 -31.58383      37.08878 22.61088 16.06337 23.83312 16.54095 -0.000000      0.000000 
1 1 1 -20 0  27 o 65.45576 17.49088 69.11650       37.60131 145.8518      56.74541 9.049025       50.20568 93.85025 25.96255 37.06128 23.44504 -0.000000      0.000000 
1 1 1 -20 0  28 o 57.31617 19.42385 69.17456       42.44670 8.010118      67.08106 110.0179       54.81646 40.21727 26.07810 74.41507 28.79370 -0.000000      0.000000 
1 1 1 -20 0  29 o 27.64504 13.91933 -87.13879      46.24886 -149.6056     74.41030 -47.81674      59.03731 25.82934 18.78762 29.46074 20.54304 -0.000000      0.000000 
1 1 1 -20 0  30 o 109.5494 15.64685 185.3602       40.24052 215.8048      64.33953 165.7993       51.57241 116.7494 23.01105 102.3494 21.20819 -0.000000      0.000000 
1 1 1 -20 0  31 o 35.56992 16.10293 3.936725       37.02245 -38.76038     60.33815 29.71757       46.88580 30.70430 21.25888 40.43554 24.19250 -0.000000      0.000000 
1 1 1 -20 0  32 o 38.22391 17.70748 7.115990       43.52094 27.07178      71.22806 -4.772462      54.97678 42.96682 27.47893 33.48100 22.34117 -0.000000      0.000000 
1 1 1 -20 0  33 o 48.95621 18.67472 58.51884       41.99877 -7.428821     69.70322 96.10799       52.62405 35.20242 23.97165 62.71001 28.64161 -0.000000      0.000000 
1 1 1 -20 0  34 o 37.83265 17.69055 26.16854       46.35792 26.11489      73.21378 26.20444       59.89397 38.55324 25.74334 37.11205 24.27143 -0.000000      0.000000 
1 1 1 -20 2  1  o 150.5306 4.466260 305.7363       18.08939 319.5687      25.59033 291.9214       25.57418 153.9409 6.173599 147.1202 6.455742 6.820770       8.932521 
1 1 1 -20 2  2  o 253.7531 3.851382 868.0132       26.30996 844.5372      37.08479 891.8036       37.33225 250.2953 5.502494 257.2108 5.390282 -6.915497      7.702765 
1 1 1 -20 2  3  f 310.8716 4.085619 1303.241       34.19919 1293.929      48.32749 1312.582       48.40252 309.7578 5.794134 311.9854 5.761696 -2.227539      8.171238 
1 1 1 -20 2  4  o 191.3148 3.884767 493.5612       20.00876 505.4641      28.35364 481.7534       28.24002 193.6156 5.438575 189.0141 5.548653 4.601501       7.769533 
1 1 1 -20 2  5  o 262.7509 3.808706 931.0336       26.94296 952.5190      38.25496 909.8859       37.95304 265.7621 5.345783 259.7398 5.426560 6.022278       7.617412 
1 1 1 -20 2  6  o 339.8441 4.220271 1558.277       38.61328 1586.397      55.19381 1531.321       54.03935 342.8447 5.978738 336.8436 5.957972 6.001099       8.440541 
1 1 1 -20 2  7  o 198.6527 3.671191 531.3713       19.60494 518.6322      26.83661 545.9503       28.70917 196.1105 5.082103 201.1949 5.299323 -5.084366      7.342383 
1 1 1 -20 2  8  o 261.1014 3.653798 919.3176       25.68802 921.6375      36.44467 917.0273       36.21314 261.4279 5.177245 260.7749 5.157237 0.6530457      7.307596 
1 1 1 -20 2  9  o 176.1907 3.640898 418.6034       17.26012 397.0338      24.24460 440.7700       24.57780 171.5832 5.247553 180.7981 5.048540 -9.214935      7.281797 
1 1 1 -20 2  10 o 278.1890 3.703875 1043.839       27.73990 1029.106      39.40111 1058.318       39.06139 276.2371 5.297160 280.1409 5.178307 -3.903839      7.407750 
1 1 1 -20 2  11 o 426.5112 4.844398 2454.632       55.60697 2499.446      80.19527 2413.134       77.17210 430.2457 6.922274 422.7768 6.779003 7.468964       9.688795 
1 1 1 -20 2  12 o 278.8492 3.787860 1047.988       28.41603 1064.601      41.19003 1032.901       39.25261 280.9484 5.444802 276.7500 5.267415 4.198395       7.575720 
1 1 1 -20 2  13 o 147.0915 4.438878 289.9994       17.49562 312.1171      26.37062 272.6094       23.38300 152.0567 6.440675 142.1264 6.110012 9.930267       8.877755 
1 1 1 -20 2  14 o 206.4762 3.910362 574.4092       21.72606 550.2574      30.11137 600.6362       31.37838 201.9544 5.537246 210.9980 5.522919 -9.043671      7.820724 
1 1 1 -20 2  15 o 159.7381 4.567015 341.4801       19.50937 321.4535      25.84091 368.0264       29.75135 154.3507 6.217499 165.1255 6.691278 -10.77480      9.134029 
1 1 1 -20 2  16 o 467.0959 5.335279 2944.329       67.04212 2909.198      92.60957 2983.012       97.17917 464.1944 7.409222 469.9975 7.678816 -5.803101      10.67056 
1 1 1 -20 2  17 o 197.9573 5.415501 528.3217       28.86646 528.3217      28.86646 0.000000       0.000000 197.9573 5.415501 ?        ?        ?              ?        
1 1 1 -20 2  18 o 522.2830 5.884300 3673.513       82.54568 3554.113      112.1349 3814.746       121.9571 513.0807 8.116558 531.4853 8.521820 -18.40454      11.76860 
1 1 1 -20 2  19 o 93.31401 6.719947 118.0117       16.79392 121.2259      22.78657 114.1898       24.84742 94.72958 8.933260 91.89844 10.04130 2.831139       13.43989 
1 1 1 -20 2  20 o 170.9520 4.315839 393.9581       19.85480 375.7917      27.88440 412.6403       28.27758 166.9511 6.202813 174.9528 6.002580 -8.001755      8.631678 
1 1 1 -20 2  21 o 105.2684 5.985811 149.1479       16.92551 164.6780      24.58999 135.1662       23.33209 110.4674 8.266865 100.0694 8.659024 10.39803       11.97162 
1 1 1 -20 2  22 o 129.1964 5.215974 225.2600       17.82310 224.6869      27.94514 225.6530       23.14053 129.0338 8.043021 129.3590 6.643443 -0.3251648     10.43195 
1 1 1 -20 2  23 o 97.46499 6.835771 127.9831       17.76571 132.0800      27.26726 124.9611       23.41864 98.78659 10.25086 96.14339 9.046047 2.643204       13.67154 
1 1 1 -20 2  24 o 327.0502 4.362641 1444.392       38.26028 1435.996      56.65806 1451.431       51.87428 326.1375 6.451750 327.9629 5.874136 -1.825348      8.725283 
1 1 1 -20 2  25 o 35.96107 10.64728 0.3016626      18.26943 -20.58417     28.61813 14.66842       23.73530 31.78929 14.60849 40.13286 15.49356 -8.343571      21.29456 
1 1 1 -20 2  26 f 30.38676 10.00499 -25.38745      19.89579 -23.31838     28.90229 -27.25100      27.42925 31.35549 14.50612 29.41803 13.78302 1.937458       20.00998 
1 1 1 -20 2  27 o 32.96296 10.98285 -41.21420      25.71799 -62.06937     37.77602 -23.19737      35.11143 30.45175 14.77140 35.47417 16.25722 -5.022415      21.96569 
1 1 1 -20 2  28 f 28.27958 10.08556 -151.3212      34.79153 -123.0668     50.97012 -175.9703      47.60716 30.97022 15.42079 25.58895 13.00281 5.381275       20.17111 
1 1 1 -20 2  29 f 34.15413 11.69385 -65.66968      33.37733 -37.52341     47.31290 -93.55517      47.09322 37.61998 17.77312 30.68828 15.20199 6.931700       23.38769 
1 1 1 -20 2  30 o 42.74786 13.05655 3.438077       27.61995 -4.253566     39.63656 10.69828       38.50886 41.03472 18.15933 44.46099 18.76520 -3.426266      26.11310 
1 1 1 -20 2  31 o 78.04641 12.79746 95.25845       26.57989 114.4006      37.84214 76.61884       37.34212 86.59599 16.83544 69.49683 19.27870 17.09917       25.59492 
1 1 1 -20 2  32 f 90.74950 12.02690 129.4972       28.28467 138.0471      41.08573 121.7944       38.99708 93.73771 16.89939 87.76130 17.11711 5.976410       24.05379 
1 1 1 -20 2  33 o 39.11798 12.69333 -10.54530      31.93421 -59.68554     54.49731 15.15147       39.40903 35.63461 17.38744 42.60136 18.49756 -6.966759      25.38667 
1 1 1 -20 2  34 o 50.27162 15.35092 38.83422       38.16142 88.90361      60.34274 5.462453       49.26387 59.51414 24.14289 41.02911 18.96640 18.48503       30.70185 
1 1 1 -20 4  1  f 253.6447 3.937257 867.4470       26.88531 856.9841      38.25704 877.6561       37.79041 252.1293 5.635139 255.1601 5.500288 -3.030746      7.874513 
1 1 1 -20 4  2  o 319.2189 4.182310 1373.223       35.92767 1393.797      51.86207 1354.238       49.81833 321.5107 5.990611 316.9272 5.837759 4.583405       8.364619 
1 1 1 -20 4  3  o 121.3703 5.031860 199.1232       16.38246 220.4349      23.27960 178.2142       23.05858 127.8285 6.763387 114.9120 7.452185 12.91649       10.06372 
1 1 1 -20 4  4  o 267.3673 3.835490 963.3812       27.60607 987.6598      39.56402 940.3455       38.53795 270.6481 5.428902 264.0865 5.419497 6.561615       7.670979 
1 1 1 -20 4  5  o 96.09650 5.903377 125.1265       15.19182 128.5449      20.60530 121.0553       22.48673 97.55867 7.843859 94.63432 8.824585 2.924355       11.80675 
1 1 1 -20 4  6  o 167.6487 4.005126 378.8792       18.01650 376.4135      24.43723 381.8154       26.66688 167.0640 5.432323 168.2334 5.886765 -1.169342      8.010252 
1 1 1 -20 4  7  o 299.8026 3.947293 1210.356       31.83375 1266.947      46.28043 1159.537       43.85674 306.4383 5.608812 293.1668 5.555692 13.27148       7.894586 
1 1 1 -20 4  8  o 289.9620 3.822813 1134.225       29.84737 1138.370      42.26146 1130.100       42.15982 290.4909 5.402921 289.4332 5.409624 1.057739       7.645626 
1 1 1 -20 4  9  o 312.1060 3.930698 1314.077       33.03283 1318.467      46.89956 1309.754       46.53355 312.6219 5.571420 311.5901 5.546246 1.031799       7.861397 
1 1 1 -20 4  10 f 365.5259 4.335319 1803.246       42.66742 1783.614      60.41261 1822.785       60.26933 363.5349 6.171604 367.5168 6.090259 -3.981903      8.670637 
1 1 1 -20 4  11 o 57.98400 9.252057 47.39442       14.00567 48.76325      21.30383 46.35245       18.58699 58.66462 13.72960 57.30338 12.40566 1.361240       18.50411 
1 1 1 -20 4  12 o 195.0943 3.880019 508.5884       20.06927 540.6971      31.65482 487.0073       25.95174 200.1647 5.873121 190.0240 5.071947 10.14070       7.760039 
1 1 1 -20 4  13 o 91.83112 6.915703 114.8768       16.83565 110.5356      25.93459 118.0386       22.13314 90.26830 10.66991 93.39394 8.801180 -3.125648      13.83141 
1 1 1 -20 4  14 o 314.3012 4.110557 1332.373       34.78622 1318.392      48.89523 1346.702       49.50066 312.6324 5.808302 315.9701 5.818106 -3.337769      8.221114 
1 1 1 -20 4  15 o 55.28378 9.448257 48.39055       14.91488 64.81985      18.12131 13.88842       26.26050 69.21983 9.722449 41.34773 16.20346 27.87210       18.89651 
1 1 1 -20 4  16 o 293.9944 4.075118 1145.213       31.59340 1071.764      40.23180 1263.373       51.02824 281.9494 5.299256 306.0394 6.192271 -24.08997      8.150235 
1 1 1 -20 4  17 o 388.9214 4.790415 2037.530       50.09856 2193.845      72.24184 1892.707       69.53575 403.2844 6.652640 374.5584 6.894539 28.72604       9.580830 
1 1 1 -20 4  18 o 129.5477 5.807322 239.9147       18.53386 265.2972      22.83345 190.8938       31.73182 140.2669 6.045510 118.8285 9.917245 21.43843       11.61464 
1 1 1 -20 4  19 o 370.9508 6.538390 1855.832       65.30862 0.000000      0.000000 1855.832       65.30862 ?        ?        370.9508 6.538390 ?              ?        
1 1 1 -20 4  20 o 92.20880 6.761532 115.0464       16.74663 106.0325      23.73050 123.9891       23.63641 88.59215 9.947827 95.82545 9.160459 -7.233299      13.52306 
1 1 1 -20 4  21 o 41.41283 10.95399 17.38853       16.24570 17.99913      25.42595 16.96728       21.11874 42.78327 16.15290 40.04240 14.80012 2.740871       21.90799 
1 1 1 -20 4  22 o 285.6175 5.414380 1099.477       41.64059 0.000000      0.000000 1099.477       41.64059 ?        ?        285.6175 5.414380 ?              ?        
1 1 1 -20 4  23 o 251.9921 4.128701 861.2205       27.50927 832.1068      42.80012 881.7137       35.90886 248.2904 6.401793 255.6937 5.215527 -7.403275      8.257401 
1 1 1 -20 4  24 o 64.50457 10.80562 60.53938       18.06133 52.29658      29.96682 65.24191       22.63438 60.88681 17.40569 68.12233 12.80966 -7.235516      21.61123 
1 1 1 -20 4  25 o 207.0386 4.493556 580.5308       24.32801 572.9926      39.28492 585.2200       30.98410 205.8592 7.087160 208.2181 5.526333 -2.358902      8.987113 
1 1 1 -20 4  26 o 166.9530 5.556602 373.1730       24.60641 401.8531      38.83295 353.9324       31.80678 172.1841 8.375757 161.7220 7.304106 10.46204       11.11320 
1 1 1 -20 4  27 o 48.31021 13.81219 14.72469       27.57120 23.38011      42.60369 8.487535       36.16567 52.17838 20.57852 44.44205 18.42907 7.736328       27.62438 
1 1 1 -20 4  28 o 435.6910 8.375788 2566.946       98.26246 0.000000      0.000000 2566.946       98.26246 ?        ?        435.6910 8.375788 ?              ?        
1 1 1 -20 4  29 o 30.67268 10.66251 -82.24700      30.75922 -98.23476     43.92434 -66.86233      43.08794 29.18130 14.49439 32.16406 15.64190 -2.982758      21.32502 
1 1 1 -20 4  30 o 58.39062 13.34088 45.00885       26.39055 12.21150      36.04577 82.89987       38.74388 43.90358 18.31801 72.87766 19.40018 -28.97408      26.68177 
1 1 1 -20 4  31 o 48.70764 14.44287 20.27079       30.61164 19.24622      53.11779 20.78028       37.45734 51.03103 21.80683 46.38425 18.94329 4.646778       28.88574 
1 1 1 -20 4  32 o 89.43132 14.23010 143.0267       31.68012 112.2155      59.23851 155.3685       37.49191 76.60098 24.99190 102.2617 13.61574 -25.66068      28.46021 
1 1 1 -20 4  33 o 38.81028 12.93845 -15.13826      32.40128 -4.449529     57.64946 -20.07379      39.17406 43.09870 20.12422 34.52185 16.26744 8.576851       25.87690 
1 1 1 -20 6  1  o 114.9862 5.315207 177.9733       16.42891 193.2798      23.81140 164.0664       22.69664 119.6982 7.387783 110.2742 7.643714 9.423981       10.63041 
1 1 1 -20 6  2  o 330.6000 4.289339 1473.616       38.17890 1482.470      54.48609 1465.074       53.51329 331.5725 6.102725 329.6275 6.029133 1.945007       8.578677 
1 1 1 -20 6  3  o 136.3149 4.673203 251.0584       17.11143 231.1860      24.22037 270.8615       24.17811 130.9100 6.871071 141.7197 6.335904 -10.80969      9.346405 
1 1 1 -20 6  4  o 216.5820 3.807102 630.7737       22.14841 611.4767      30.10994 653.5258       32.69463 212.9880 5.250145 220.1760 5.514715 -7.187988      7.614204 
1 1 1 -20 6  5  o 369.4891 4.487845 1840.454       44.60764 1816.803      61.58554 1866.556       64.69903 367.0063 6.231921 371.9719 6.459579 -4.965637      8.975690 
1 1 1 -20 6  6  o 106.8186 5.243430 153.1191       14.89100 148.4366      19.43473 159.7764       23.17321 104.8738 6.882216 108.7635 7.912606 -3.889771      10.48686 
1 1 1 -20 6  7  o 369.9455 4.466139 1846.068       44.48091 1861.023      63.61812 1831.764       62.21630 371.4056 6.361344 368.4853 6.270477 2.920319       8.932278 
1 1 1 -20 6  8  o 157.8478 4.036971 336.3700       17.14099 325.9106      24.54213 346.3314       23.95072 155.4422 5.863541 160.2535 5.550444 -4.811279      8.073942 
1 1 1 -20 6  9  o 137.1179 4.393009 255.4972       16.09209 222.8327      23.05709 286.5183       22.46960 128.4896 6.664276 145.7462 5.725517 -17.25661      8.786018 
1 1 1 -20 6  10 o 128.1353 4.734621 220.1635       16.07560 229.6191      25.30927 213.7690       20.81319 130.4001 7.208055 125.8706 6.140886 4.529556       9.469242 
1 1 1 -20 6  11 o 134.0372 4.738320 240.0880       16.72598 253.7521      26.91651 231.4928       21.34799 137.0821 7.292131 130.9924 6.052400 6.089783       9.476641 
1 1 1 -20 6  12 o 268.5753 3.858228 972.3493       27.88856 930.4915      39.07259 1015.821       39.81875 262.6797 5.524108 274.4709 5.387757 -11.79111      7.716456 
1 1 1 -20 6  13 o 38.22614 10.22836 13.63647       14.23594 10.35467      18.39924 18.53157       22.47110 34.99670 13.60476 41.45558 15.27705 -6.458878      20.45673 
1 1 1 -20 6  14 o 193.4387 3.925236 507.1843       19.93091 516.7070      25.61664 492.5773       31.72660 195.7869 4.859092 191.0905 6.165967 4.696442       7.850472 
1 1 1 -20 6  15 o 80.38132 7.260448 76.72137       14.47302 61.90779      16.90701 117.3474       27.99877 67.67418 9.278132 93.08846 11.17017 -25.41428      14.52090 
1 1 1 -20 6  16 o 246.2568 5.107483 817.3593       33.86715 817.3593      33.86715 0.000000       0.000000 246.2568 5.107483 ?        ?        ?              ?        
1 1 1 -20 6  17 o 118.8163 5.398555 174.0668       16.38285 141.4764      19.71040 246.8983       29.46523 102.3994 7.148493 135.2332 8.091763 -32.83376      10.79711 
1 1 1 -20 6  18 o 159.1894 4.360464 339.9596       18.56785 327.3623      24.68583 356.3719       28.17693 155.8220 5.883497 162.5569 6.437318 -6.734894      8.720928 
1 1 1 -20 6  19 o 218.2435 3.952565 641.0929       23.20146 624.5099      31.91598 659.6778       33.78759 215.2581 5.506367 221.2288 5.671947 -5.970642      7.905129 
1 1 1 -20 6  20 f 88.29816 7.228433 104.0669       17.04330 125.0750      25.58280 87.30263       22.85324 96.22389 9.873742 80.37244 10.55984 15.85146       14.45687 
1 1 1 -20 6  21 o 255.3673 4.050579 880.4731       27.74195 861.6533      40.85928 896.5689       37.78671 252.8166 6.002079 257.9181 5.440939 -5.101456      8.101158 
1 1 1 -20 6  22 o 157.6849 4.687852 331.0112       19.09420 351.1508      32.31222 320.2050       23.66882 161.2762 7.440690 154.0936 5.704381 7.182587       9.375705 
1 1 1 -20 6  23 o 136.3157 5.514495 250.3946       19.48527 253.9967      32.37130 248.3479       24.40086 137.0109 8.774484 135.6205 6.681847 1.390411       11.02899 
1 1 1 -20 6  24 o 169.1588 4.978600 382.1763       21.54876 401.5585      37.14756 372.3464       26.45461 172.2526 8.009054 166.0651 5.916154 6.187424       9.957200 
1 1 1 -20 6  25 o 57.75602 11.43121 32.55364       19.12055 87.08281      35.37552 10.04866       22.72624 78.01363 17.29424 37.49841 14.95323 40.51522       22.86241 
1 1 1 -20 6  26 o 179.9244 10.03900 440.5056       48.63668 440.5056      48.63668 0.000000       0.000000 179.9244 10.03900 ?        ?        ?              ?        
1 1 1 -20 6  27 o 29.49733 10.35720 -86.99342      30.44440 -107.5133     50.35188 -75.16895      38.22252 30.95928 15.40090 28.03538 13.85275 2.923901       20.71440 
1 1 1 -20 6  28 o 439.4366 13.49103 2636.325       159.6338 2636.325      159.6338 0.000000       0.000000 439.4366 13.49103 ?        ?        ?              ?        
1 1 1 -20 6  29 o 41.13338 13.23293 -17.14999      31.04066 -27.09653     52.30747 -11.74325      38.56521 43.01807 19.76170 39.24868 17.60448 3.769382       26.46587 
1 1 1 -20 6  30 o 74.63583 12.79662 97.86153       30.11095 8.991144      53.21778 139.7092       36.51857 50.12962 21.63061 99.14205 13.67957 -49.01243      25.59324 
1 1 1 -20 6  31 o 86.21827 14.01847 123.6537       30.04663 109.4035      56.53296 129.2639       35.47145 78.53406 24.27477 93.90248 14.02873 -15.36842      28.03693 
1 1 1 -20 6  32 o 44.02306 13.52516 9.850550       26.30925 35.29686      51.85878 1.031340       30.52985 51.86967 21.82794 36.17645 15.97689 15.69322       27.05032 
1 1 1 -20 6  33 o 43.27480 13.73553 16.39925       34.24245 -24.02851     62.34690 33.86169       40.97580 40.37572 19.43449 46.17388 19.41544 -5.798157      27.47105 
1 1 1 -20 8  1  o 230.3200 3.983719 715.0245       24.67462 713.9316      35.79563 716.0140       34.05944 230.1459 5.776216 230.4941 5.487749 -0.3482361     7.967438 
1 1 1 -20 8  2  o 439.6795 5.142951 2605.542       60.84864 2660.616      87.97002 2555.021       84.25601 444.1214 7.356133 435.2376 7.189375 8.883850       10.28590 
1 1 1 -20 8  3  o 310.3648 4.135936 1298.677       34.56314 1287.585      48.92891 1309.725       48.83056 309.0397 5.879871 311.6898 5.818160 -2.650146      8.271873 
1 1 1 -20 8  4  o 197.8197 3.941851 525.0214       20.84021 507.9597      27.63455 547.5204       31.73387 194.1243 5.286755 201.5151 5.848330 -7.390854      7.883701 
1 1 1 -20 8  5  o 373.7470 4.556598 1881.904       45.79874 1845.824      62.96159 1922.447       66.74200 369.9592 6.320312 377.5349 6.565364 -7.575684      9.113196 
1 1 1 -20 8  6  o 61.91479 8.979431 57.93648       14.59090 79.34217      19.28813 29.29996       22.30929 76.62447 9.348444 47.20511 15.33386 29.41935       17.95886 
1 1 1 -20 8  7  o 564.8774 6.242591 4310.379       94.93980 4339.260      135.5158 4282.541       133.0485 566.7239 8.880448 563.0309 8.775956 3.693054       12.48518 
1 1 1 -20 8  8  o 117.4034 5.296651 189.9498       16.39314 158.5165      24.40441 215.7950       22.12905 108.3294 8.366399 126.4774 6.497801 -18.14797      10.59330 
1 1 1 -20 8  9  o 321.9460 4.170136 1398.005       36.06601 1395.371      52.81773 1400.306       49.36702 321.6429 6.098490 322.2491 5.689338 -0.6062012     8.340273 
1 1 1 -20 8  10 o 448.7867 7.182559 2718.540       86.79656 0.000000      0.000000 2718.540       86.79656 ?        ?        448.7867 7.182559 ?              ?        
1 1 1 -20 8  11 o 207.7119 3.758218 581.7188       21.01641 593.8043      29.72958 569.6461       29.71381 209.8715 5.260802 205.5522 5.368497 4.319244       7.516435 
1 1 1 -20 8  12 o 89.41496 6.155972 109.6731       14.00487 113.3344      17.34918 102.8246       23.72782 91.64447 7.030551 87.18545 10.10719 4.459023       12.31194 
1 1 1 -20 8  13 o 293.7814 4.013358 1162.566       31.70363 1251.522      45.54592 1078.951       44.15770 304.6826 5.551604 282.8803 5.797228 21.80231       8.026715 
1 1 1 -20 8  14 o 278.6573 3.998901 1047.756       29.90913 1156.525      42.66149 942.6184       41.94343 292.9083 5.409050 264.4064 5.891265 28.50186       7.997801 
1 1 1 -20 8  15 o 346.5046 4.363963 1617.206       40.68081 1716.034      58.54420 1524.933       56.56933 356.7360 6.094717 336.2732 6.247488 20.46280       8.727925 
1 1 1 -20 8  16 o 651.8220 7.105872 5740.736       124.6596 5869.329      179.6846 5621.409       173.0907 658.8326 10.12867 644.8115 9.969134 14.02106       14.21174 
1 1 1 -20 8  17 o 242.0614 5.560052 789.8053       36.23997 0.000000      0.000000 789.8053       36.23997 ?        ?        242.0614 5.560052 ?              ?        
1 1 1 -20 8  18 o 227.8963 5.336552 699.9335       32.74774 0.000000      0.000000 699.9335       32.74774 ?        ?        227.8963 5.336552 ?              ?        
1 1 1 -20 8  19 o 252.8552 5.469555 861.6787       37.23979 0.000000      0.000000 861.6787       37.23979 ?        ?        252.8552 5.469555 ?              ?        
1 1 1 -20 8  20 f 132.8506 5.381160 239.2881       19.11794 226.4478      28.29128 250.0793       25.93573 129.5355 8.111112 136.1657 7.073713 -6.630188      10.76232 
1 1 1 -20 8  21 o 267.4327 4.197855 964.5682       30.10662 964.0892      44.62387 964.9686       40.78854 267.3514 6.198712 267.5140 5.662501 -0.1625977     8.395711 
1 1 1 -20 8  22 o 159.8538 5.048983 346.3701       20.97707 340.4011      34.35513 349.9184       26.48811 158.6827 8.040416 161.0249 6.109062 -2.342163      10.09797 
1 1 1 -20 8  23 o 238.1530 4.410930 748.5766       26.86674 820.8422      46.78762 713.0253       32.81652 246.4314 7.051014 229.8745 5.301738 16.55688       8.821860 
1 1 1 -20 8  24 o 45.96723 11.41441 3.787117       18.97672 58.53201      34.95899 -19.08315      22.59554 64.36885 18.91725 27.56561 12.77861 36.80325       22.82883 
1 1 1 -20 8  25 o 68.80195 16.13940 16.88070       27.33692 -311.9869     74.55041 67.97046       29.38369 ?        ?        68.80195 16.13940 ?              ?        
1 1 1 -20 8  26 o 63.86731 14.99283 61.04856       31.40949 -61.81790     84.37186 80.81593       33.84196 52.91954 24.58757 74.81508 17.16364 -21.89553      29.98565 
1 1 1 -20 8  27 o 566.1609 9.366876 4338.346       142.7966 0.000000      0.000000 4338.346       142.7966 ?        ?        566.1609 9.366876 ?              ?        
1 1 1 -20 8  28 o 145.8046 13.47686 380.2780       37.56497 211.4567      75.87777 435.0896       43.23518 113.8627 25.39488 177.7465 9.033433 -63.88382      26.95372 
1 1 1 -20 8  29 o 71.68958 14.70903 87.05225       29.98222 50.27903      59.91961 99.33447       34.62913 62.09187 24.43134 81.28728 16.38695 -19.19541      29.41806 
1 1 1 -20 8  30 o 51.52766 14.56374 20.03397       28.38883 63.11250      53.73072 3.351122       33.43700 63.55979 23.58428 39.49552 17.09363 24.06427       29.12749 
1 1 1 -20 8  31 o 41.64036 12.69417 2.026970       28.72999 -79.41503     56.83511 29.98053       33.29745 35.87724 17.55926 47.40349 18.33686 -11.52625      25.38834 
1 1 1 -20 8  32 o 35.17305 11.82955 -24.50058      29.26333 -57.53547     55.00513 -11.45942      34.56009 35.94074 17.52170 34.40536 15.89789 1.535378       23.65910 
1 1 1 -20 8  33 o 44.86017 14.47970 20.03732       36.25015 36.55991      65.20819 12.64738       43.60974 48.63889 22.24058 41.08146 18.54733 7.557426       28.95940 
1 1 1 -20 10 1  o 157.0517 4.378770 331.0111       18.38340 344.7818      27.95668 320.5208       24.40071 159.9053 6.492908 154.1981 5.876789 5.707275       8.757540 
1 1 1 -20 10 2  o 233.2887 3.903975 733.3711       24.52111 722.8936      34.38557 744.2130       34.97822 231.5939 5.513986 234.9835 5.528113 -3.389618      7.807950 
1 1 1 -20 10 3  o 346.2114 4.384713 1614.885       40.85833 1648.312      58.83776 1583.754       56.78187 349.6659 6.249128 342.7570 6.152334 6.908844       8.769425 
1 1 1 -20 10 4  o 388.4471 4.689017 2032.147       48.99305 1983.996      67.45346 2085.913       71.27787 383.5917 6.530578 393.3025 6.730458 -9.710754      9.378034 
1 1 1 -20 10 5  o 224.1600 3.829601 672.7144       22.97154 639.2516      30.53514 716.3464       34.86759 217.7900 5.206891 230.5300 5.617087 -12.73993      7.659202 
1 1 1 -20 10 6  o 300.5360 4.058725 1217.017       32.83335 1242.000      47.20872 1193.610       45.69503 303.5192 5.776338 297.5529 5.703237 5.966370       8.117450 
1 1 1 -20 10 7  o 225.2582 3.843505 683.7075       23.26611 626.3415      32.47516 744.2010       33.34871 215.5463 5.595352 234.9701 5.270879 -19.42380      7.687010 
1 1 1 -20 10 8  o 506.4690 5.702041 3460.280       77.68550 3521.872      112.7817 3404.675       107.1614 510.7301 8.200944 502.2078 7.924495 8.522339       11.40408 
1 1 1 -20 10 9  o 269.8626 3.943694 979.3738       28.58080 1013.066      42.25605 950.9630       38.80306 274.1207 5.724844 265.6045 5.425593 8.516266       7.887388 
1 1 1 -20 10 10 o 300.4849 3.998238 1215.071       32.31904 1269.384      46.96951 1166.234       44.53930 306.8484 5.684715 294.1214 5.623846 12.72705       7.996476 
1 1 1 -20 10 11 o 39.63910 10.07643 17.97215       13.03195 18.88925      15.63332 15.88344       23.59294 38.46923 12.85204 40.80896 15.52298 -2.339733      20.15286 
1 1 1 -20 10 12 o 161.5177 4.246494 363.9265       17.76272 410.9135      23.18769 297.1933       27.63373 174.6120 4.931737 148.4233 6.914392 26.18875       8.492988 
1 1 1 -20 10 13 f 216.7188 3.834776 613.7214       21.63924 562.5908      26.88228 707.8337       36.47112 204.3150 4.886327 229.1226 5.911501 -24.80762      7.669553 
1 1 1 -20 10 14 o 433.1129 4.988368 2527.329       58.12078 2458.244      80.10637 2604.120       84.45645 426.8819 6.969087 439.3439 7.139122 -12.46201      9.976735 
1 1 1 -20 10 15 o 177.6785 3.725886 421.9477       17.74823 376.1877      23.94047 477.7859       26.44568 167.0697 5.321713 188.2873 5.216154 -21.21758      7.451771 
1 1 1 -20 10 16 o 296.9123 4.011399 1188.367       32.06643 1171.331      45.47365 1205.217       45.22493 294.7921 5.728759 299.0324 5.616635 -4.240356      8.022798 
1 1 1 -20 10 17 o 149.1401 4.406559 298.2888       17.59539 313.9771      26.59191 286.0709       23.46726 152.6022 6.471504 145.6780 5.982531 6.924240       8.813118 
1 1 1 -20 10 18 o 75.40584 8.327573 78.57294       16.24530 74.80127      24.93038 81.35632       21.41655 73.22178 13.12682 77.58990 10.25087 -4.368126      16.65515 
1 1 1 -20 10 19 o 184.6625 4.339040 458.8152       21.24988 465.0223      33.15199 454.4866       27.68518 185.6992 6.630042 183.6259 5.599251 2.073257       8.678080 
1 1 1 -20 10 20 o 141.3832 5.416145 268.3440       19.99326 276.9986      32.77015 263.2122       25.23383 143.1306 8.502809 139.6358 6.711242 3.494843       10.83229 
1 1 1 -20 10 21 o 142.1743 5.579894 274.2676       20.55894 269.5060      33.89990 277.0377       25.85660 141.1136 8.921671 143.2350 6.704077 -2.121368      11.15979 
1 1 1 -20 10 22 o 116.0286 6.702207 182.3844       20.18120 183.2523      33.34771 181.8828       25.35033 116.1352 10.66397 115.9220 8.121461 0.2131348      13.40441 
1 1 1 -20 10 23 o 46.24010 14.00891 11.75362       23.21027 -52.44245     72.74131 19.03040       24.49044 49.94225 23.07265 42.53794 15.89501 7.404305       28.01783 
1 1 1 -20 10 24 o 122.6466 11.69757 368.8183       42.11244 -134.2180     82.11969 548.3113       49.05366 44.33214 21.56747 200.9611 9.065169 -156.6290      23.39515 
1 1 1 -20 10 25 o 50.71911 13.42741 15.31544       32.17874 -277.3509     91.08848 57.04809       34.39656 38.04691 19.17585 63.39130 18.80074 -25.34439      26.85481 
1 1 1 -20 10 26 o 292.0261 7.963766 1153.087       62.62152 0.000000      0.000000 1153.087       62.62152 ?        ?        292.0261 7.963766 ?              ?        
1 1 1 -20 10 27 f 67.73783 14.29779 85.99931       36.77492 -40.23573     73.67926 127.8810       42.43920 46.33957 21.97725 89.13610 18.29502 -42.79654      28.59558 
1 1 1 -20 10 28 o 88.72617 13.72136 138.2755       29.46995 82.22908      57.64806 158.1038       34.28895 71.54926 24.66815 105.9031 12.02436 -34.35384      27.44272 
1 1 1 -20 10 29 o 51.12527 14.73884 11.23568       28.67016 62.23834      57.89296 -5.337218      33.00111 64.97196 24.40693 37.27857 16.52983 27.69339       29.47768 
1 1 1 -20 10 30 o 40.78204 13.33836 -10.45469      30.40483 -67.62581     70.64338 2.543739       33.68438 42.60832 20.55399 38.95576 17.00533 3.652557       26.67673 
1 1 1 -20 10 31 o 68.07813 12.90269 94.32349       30.96874 -8.748257     64.03511 125.7908       35.38164 45.77875 21.31985 90.37750 14.53899 -44.59875      25.80539 
1 1 1 -20 10 32 o 53.77718 15.38302 60.74464       34.24612 50.77017      64.27479 64.69875       40.46876 51.39998 22.91390 56.15438 20.53053 -4.754395      30.76605 
1 1 1 -20 12 1  o 226.5526 3.897116 692.0280       23.76645 668.8583      33.25523 716.2159       33.97808 222.6756 5.546308 230.4295 5.476177 -7.753876      7.794231 
1 1 1 -20 12 2  o 137.5279 4.330559 253.8515       15.95746 220.5368      21.80639 292.2586       23.41376 127.8535 6.334139 147.2023 5.907085 -19.34877      8.661119 
1 1 1 -20 12 3  o 289.1476 4.003933 1126.943       31.17359 1127.255      44.16983 1126.634       44.00288 289.1868 5.672361 289.1083 5.652456 0.7852173E-01  8.007867 
1 1 1 -20 12 4  o 207.4124 3.847270 579.3123       21.44169 572.4041      29.30834 587.2675       31.45120 206.0895 5.281435 208.7352 5.595748 -2.645660      7.694540 
1 1 1 -20 12 5  o 351.1698 4.489759 1653.174       42.26596 1568.460      56.64568 1759.573       63.48318 341.0924 6.167531 361.2472 6.526357 -20.15479      8.979519 
1 1 1 -20 12 6  o 514.1069 5.805714 3559.326       80.26665 3427.169      110.1535 3708.938       117.2025 503.9666 8.117332 524.2473 8.302662 -20.28073      11.61143 
1 1 1 -20 12 7  o 440.6474 5.146549 2615.356       60.97073 2680.015      89.15057 2558.538       83.57092 445.7407 7.427772 435.5542 7.125733 10.18646       10.29310 
1 1 1 -20 12 8  o 340.8498 4.288919 1566.215       39.36164 1556.213      55.82154 1576.106       55.51129 339.7648 6.101548 341.9347 6.029131 -2.169922      8.577839 
1 1 1 -20 12 9  o 198.8301 3.800272 528.0297       20.11814 651.1536      29.90806 426.2782       27.18865 219.8220 5.052820 177.8382 5.677789 41.98378       7.600544 
1 1 1 -20 12 10 o 508.8050 5.703729 3492.888       78.13703 3454.990      109.6333 3532.014       111.3926 506.0032 8.046481 511.6068 8.086052 -5.603546      11.40746 
1 1 1 -20 12 11 o 147.7518 4.302249 287.7823       16.17663 275.2567      19.66797 313.9736       28.44063 142.9204 5.110719 152.5832 6.922278 -9.662827      8.604498 
1 1 1 -20 12 12 o 248.6090 4.876583 839.1792       30.00191 848.1264      36.03569 818.9673       54.16155 250.8652 5.334688 246.3529 8.164885 4.512344       9.753165 
1 1 1 -20 12 13 o 220.5316 3.745782 651.3683       22.15409 612.4578      29.74898 699.8146       33.19470 213.1877 5.182348 227.8755 5.409881 -14.68784      7.491565 
1 1 1 -20 12 14 o 314.7265 4.074911 1333.379       34.43979 1357.696      50.80145 1312.700       46.84874 317.3668 5.944719 312.0862 5.574937 5.280579       8.149822 
1 1 1 -20 12 15 o 216.8598 3.759608 634.7978       21.87980 620.3859      32.08450 647.3264       29.91474 214.5455 5.553828 219.1742 5.068886 -4.628662      7.519216 
1 1 1 -20 12 16 o 232.7803 3.864319 732.2642       24.07563 711.3477      35.79147 749.5497       32.53692 229.7210 5.786227 235.8397 5.123612 -6.118683      7.728637 
1 1 1 -20 12 17 o 73.75924 9.686180 73.50346       19.23767 0.000000      0.000000 73.50346       19.23767 ?        ?        73.75924 9.686180 ?              ?        
1 1 1 -20 12 18 o 292.1297 6.078947 1151.358       47.81756 1151.358      47.81756 0.000000       0.000000 292.1297 6.078947 ?        ?        ?              ?        
1 1 1 -20 12 19 o 164.7253 7.578550 410.4549       24.54117 306.9459      56.85748 434.1538       27.20592 150.0558 14.07186 179.3949 5.632094 -29.33913      15.15710 
1 1 1 -20 12 20 o 351.9684 6.093251 1729.207       53.66008 1530.417      92.32955 1830.600       65.93970 335.8189 10.21062 368.1180 6.652372 -32.29904      12.18650 
1 1 1 -20 12 21 o 248.6942 6.397781 819.0902       35.48059 873.3990      76.77350 804.3408       40.00952 253.3471 11.25413 244.0414 6.088584 9.305618       12.79556 
1 1 1 -20 12 22 o 217.4096 8.030057 684.6827       40.27407 560.3647      77.26130 731.0663       47.19298 202.3398 14.18069 232.4795 7.538924 -30.13966      16.06011 
1 1 1 -20 12 23 o 146.0357 11.44429 277.7378       33.60029 322.3414      84.54408 269.3711       36.61627 151.3174 20.74966 140.7539 9.661180 10.56345       22.88857 
1 1 1 -20 12 24 o 109.2562 16.10725 224.6383       41.19118 77.22416      85.99353 268.5330       46.92478 78.68132 29.70611 139.8311 12.46279 -61.14975      32.21450 
1 1 1 -20 12 25 o 233.0318 19.52632 748.3594       122.5234 748.3594      122.5234 0.000000       0.000000 233.0318 19.52632 ?        ?        ?              ?        
1 1 1 -20 12 26 o 53.19511 13.99515 26.50917       37.25627 -183.6523     82.55782 80.25330       41.74910 37.38574 18.76400 69.00449 20.76942 -31.61876      27.99030 
1 1 1 -20 12 27 o 53.39534 14.65207 34.76513       30.91143 -19.93173     64.03899 51.38065       35.29559 48.23815 22.05070 58.55253 19.30026 -10.31438      29.30415 
1 1 1 -20 12 28 o 85.06084 13.49577 136.7945       28.45179 53.11465      60.16634 160.8969       32.29033 62.93276 24.56379 107.1889 11.18766 -44.25616      26.99154 
1 1 1 -20 12 29 o 52.96350 15.76331 2.045654       29.59162 95.30170      73.74301 -15.85316      32.30684 72.19233 27.44785 33.73468 15.50948 38.45765       31.52663 
1 1 1 -20 12 30 o 68.77661 15.75298 91.28626       31.63714 61.79330      81.52257 96.51561       34.32751 60.77566 26.49478 76.77756 17.04853 -16.00190      31.50596 
1 1 1 -20 12 31 o 60.67970 16.44469 76.74557       33.20819 102.5141      79.80216 71.34881       36.52043 60.96729 26.39705 60.39210 19.61907 0.5751915      32.88939 
1 1 1 -20 14 1  o 265.8262 4.031919 952.5913       28.83425 985.8820      41.86955 922.5599       39.76721 270.2308 5.754134 261.4216 5.649374 8.809265       8.063839 
1 1 1 -20 14 2  o 163.3026 3.810892 359.8579       16.74283 359.4060      24.17669 360.2743       23.20883 163.1964 5.501776 163.4088 5.274661 -0.2123871     7.621783 
1 1 1 -20 14 3  o 258.8079 3.898278 898.6448       27.05657 851.7477      36.33739 956.9971       40.53307 251.2848 5.370368 266.3310 5.652030 -15.04619      7.796557 
1 1 1 -20 14 4  o 118.1857 5.257401 188.9530       16.64025 186.2366      24.76242 191.1897       22.46998 117.3877 7.834065 118.9837 7.013453 -1.595978      10.51480 
1 1 1 -20 14 5  o 209.1486 4.077417 588.8324       22.93588 614.4634      33.44060 566.0650       31.51725 213.4342 5.818710 204.8631 5.713488 8.571106       8.154835 
1 1 1 -20 14 6  o 103.9996 4.893569 143.9705       13.07854 139.6414      16.11880 152.3125       22.37512 101.7702 5.882053 106.2291 7.822374 -4.458893      9.787138 
1 1 1 -20 14 7  o 275.8849 5.483996 1025.869       40.73881 0.000000      0.000000 1025.869       40.73881 ?        ?        275.8849 5.483996 ?              ?        
1 1 1 -20 14 8  o 188.6844 3.567326 464.1931       17.60839 419.0616      22.00299 544.5792       29.36513 176.3570 4.633460 201.0118 5.425340 -24.65477      7.134653 
1 1 1 -20 14 9  o 534.7521 8.560782 3860.246       123.2677 3860.246      123.2677 0.000000       0.000000 534.7521 8.560782 ?        ?        ?              ?        
1 1 1 -20 14 10 o 287.5428 4.094933 1093.974       31.30091 993.7078      40.52352 1242.274       49.28347 271.5252 5.542602 303.5604 6.029382 -32.03519      8.189865 
1 1 1 -20 14 11 o 53.80122 9.545157 43.46103       15.59096 63.00517      19.55735 9.383903       25.82457 68.26826 10.63917 39.33419 15.85081 28.93408       19.09031 
1 1 1 -20 14 12 f 321.8504 6.098719 1396.523       52.85378 1396.523      52.85378 0.000000       0.000000 321.8504 6.098719 ?        ?        ?              ?        
1 1 1 -20 14 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 14 f 162.6487 4.128169 358.1951       17.74062 348.6737      27.72432 364.7970       23.08584 160.7865 6.403655 164.5110 5.211555 -3.724518      8.256337 
1 1 1 -20 14 15 o 264.6498 5.496642 923.6850       32.89267 988.2198      69.89978 905.3304       37.27792 270.2003 9.607414 259.0992 5.343210 11.10110       10.99328 
1 1 1 -20 14 16 o 311.2200 5.600081 1272.629       40.20530 1380.467      83.26798 1239.844       45.91180 319.2760 9.685642 303.1641 5.624231 16.11185       11.20016 
1 1 1 -20 14 17 o 103.7827 10.87533 168.2284       21.42483 123.0178      49.34333 178.7322       23.78378 92.57724 20.34910 114.9881 7.681475 -22.41084      21.75066 
1 1 1 -20 14 18 o 228.5120 7.394684 709.6870       45.45090 691.8516      65.28398 726.4633       63.31577 225.6695 10.74361 231.3545 10.16367 -5.685013      14.78937 
1 1 1 -20 14 19 o 254.6713 7.232525 881.6183       49.54759 861.9047      71.16824 900.1612       69.02276 251.8474 10.49459 257.4952 9.954967 -5.647766      14.46505 
1 1 1 -20 14 20 o 126.6005 10.46861 226.9495       26.49618 208.5665      63.47984 230.8279       29.15754 122.6284 19.22478 130.5725 8.293077 -7.944077      20.93722 
1 1 1 -20 14 21 o 35.65928 12.68444 -205.2725      51.74651 -225.3101     84.18535 -193.1044      65.60310 38.41245 19.23179 32.90612 16.54443 5.506329       25.36887 
1 1 1 -20 14 22 o 80.26826 18.03530 55.68402       31.53657 165.7745      92.46284 41.19114       33.54823 104.6543 30.76785 55.88227 18.82623 48.77200       36.07059 
1 1 1 -20 14 23 o 87.85698 16.34393 155.3817       39.59507 54.82725      99.39679 174.3479       43.16800 66.80538 29.18578 108.9086 14.72029 -42.10320      32.68787 
1 1 1 -20 14 24 o 511.1486 10.00997 1764.216       87.20921 6816.437      322.3709 1365.282       90.58692 705.0030 16.98171 317.2941 10.60279 387.7089       20.01993 
1 1 1 -20 14 25 f 54.74402 16.34537 -2.198549      47.33043 -106.4354     79.65407 54.69086       58.84546 44.56307 21.57657 64.92496 24.55884 -20.36190      32.69074 
1 1 1 -20 14 26 o 65.82141 14.07013 76.28114       28.83320 -5.305439     69.10280 93.47942       31.72697 52.41769 23.53451 79.22513 15.42730 -26.80743      28.14026 
1 1 1 -20 14 27 o 43.71519 13.87518 -0.2312238     27.45016 -8.148326     63.87331 1.562255       30.40076 49.75914 22.45753 37.67125 16.30158 12.08789       27.75036 
1 1 1 -20 14 28 o 49.56488 15.87142 10.61164       32.01596 5.050946      93.56747 11.34901       34.07264 57.41687 26.39627 41.71289 17.63078 15.70398       31.74283 
1 1 1 -20 14 29 o 80.91306 15.95832 132.7143       32.45214 91.42492      99.24543 137.6576       34.33987 66.06670 29.00529 95.75942 13.31784 -29.69272      31.91663 
1 1 1 -20 14 30 f 60.59032 16.95900 77.03347       34.59092 110.9714      100.7505 72.49838       36.82965 60.34623 27.61270 60.83442 19.69696 -0.4881897     33.91801 
1 1 1 -20 16 1  o 168.2008 4.336064 373.2812       19.24035 427.0656      31.18374 340.2201       24.44885 177.7078 6.516859 158.6937 5.721571 19.01407       8.672129 
1 1 1 -20 16 2  o 440.1642 7.467503 2620.868       88.50616 0.000000      0.000000 2620.868       88.50616 ?        ?        440.1642 7.467503 ?              ?        
1 1 1 -20 16 3  o 292.1770 5.724947 1152.485       45.04027 0.000000      0.000000 1152.485       45.04027 ?        ?        292.1770 5.724947 ?              ?        
1 1 1 -20 16 4  o 303.1549 4.122987 1240.148       33.63801 1219.798      46.67657 1262.136       48.51959 300.5785 5.767103 305.7313 5.893778 -5.152863      8.245975 
1 1 1 -20 16 5  o 145.3615 3.896580 281.5667       14.47882 274.0230      17.75076 296.5630       25.02763 142.5418 4.624784 148.1812 6.272535 -5.639450      7.793159 
1 1 1 -20 16 6  o 166.8683 3.611544 375.2942       16.03347 373.4190      21.08164 377.8670       24.69390 166.3996 4.705098 167.3371 5.480423 -0.9374084     7.223087 
1 1 1 -20 16 7  o 382.1714 4.682319 1968.450       48.13200 1876.294      66.26231 2071.389       70.03186 372.7257 6.602279 391.6171 6.641262 -18.89139      9.364637 
1 1 1 -20 16 8  o 258.7077 5.701140 903.1016       39.71499 0.000000      0.000000 903.1016       39.71499 ?        ?        258.7077 5.701140 ?              ?        
1 1 1 -20 16 9  o 155.8281 4.569142 314.8337       18.66216 274.9168      23.35118 385.4023       31.04817 142.7235 6.076171 168.9327 6.825568 -26.20923      9.138284 
1 1 1 -20 16 10 o 280.9579 5.549221 1082.639       38.81459 1109.400      47.02644 1025.443       68.74946 286.7087 6.091410 275.2072 9.277398 11.50153       11.09844 
1 1 1 -20 16 11 o 269.3464 6.221569 1003.106       36.30242 945.6880      79.25704 1018.350       40.83812 263.9455 11.15168 274.7474 5.520123 -10.80188      12.44314 
1 1 1 -20 16 12 o 115.3860 13.19922 199.0415       37.22123 142.4522      59.30088 235.8288       47.81260 99.24673 22.68512 131.5254 13.50049 -32.27865      26.39844 
1 1 1 -20 16 13 o 182.8440 6.984091 472.0842       23.63075 427.6436      62.14628 479.5957       25.54991 177.1242 13.03028 188.5638 5.032082 -11.43954      13.96818 
1 1 1 -20 16 14 f 167.4244 7.789577 410.5348       27.56488 333.1406      59.58570 431.6074       31.09187 156.0906 14.17692 178.7581 6.459481 -22.66754      15.57915 
1 1 1 -20 16 15 o 242.5952 6.097064 800.6742       31.52260 791.3149      71.17715 802.9578       35.15859 241.2610 10.95645 243.9293 5.352838 -2.668274      12.19413 
1 1 1 -20 16 16 o 277.0295 7.147518 1032.458       52.68034 1103.506      82.10269 982.7374       68.68307 284.9106 10.70201 269.1484 9.477077 15.76215       14.29504 
1 1 1 -20 16 17 o 70.64651 12.51899 90.12705       22.93411 -2.419674     59.00300 106.5977       24.89140 52.70876 22.75967 88.58427 10.43540 -35.87551      25.03798 
1 1 1 -20 16 18 o 190.0286 8.068313 447.6362       31.18822 562.1364      79.00372 426.4980       33.94523 202.4674 14.49136 177.5898 7.098678 24.87764       16.13663 
1 1 1 -20 16 19 o 155.0981 11.41751 330.1353       35.99559 336.8108      86.57417 328.7401       39.57881 154.6690 20.78747 155.5271 9.450903 -0.8580627     22.83503 
1 1 1 -20 16 20 o 49.20255 15.86258 -25.79989      31.40233 15.56584      84.68170 -32.39517      33.81315 65.64143 27.77247 32.76366 15.33542 32.87776       31.72515 
1 1 1 -20 16 21 o 140.9079 12.92373 231.0446       37.95073 462.5942      99.76035 191.8651       41.03606 167.0930 22.17258 114.7228 13.28411 52.37022       25.84745 
1 1 1 -20 16 22 o 423.0498 15.52885 2444.164       176.8944 2444.164      176.8944 0.000000       0.000000 423.0498 15.52885 ?        ?        ?              ?        
1 1 1 -20 16 23 o 32.37328 15.60012 -79.93493      38.41927 -371.3402     123.0596 -48.46451      40.44064 ?        ?        32.37328 15.60012 ?              ?        
1 1 1 -20 16 24 f 44.69516 15.18814 -36.08957      31.01818 -4.069192     90.47268 -40.35468      33.01944 59.30661 26.75069 30.08370 14.39165 29.22290       30.37629 
1 1 1 -20 16 25 o 143.8627 12.28654 320.0282       39.74678 268.5576      78.11143 338.0116       46.17118 132.0644 21.96572 155.6611 11.01558 -23.59666      24.57307 
1 1 1 -20 16 26 o 33.79749 11.90884 -52.51164      28.41008 -158.1261     81.78549 -38.01848      30.29675 39.23695 19.53646 28.35804 13.62383 10.87891       23.81768 
1 1 1 -20 16 27 o 60.37550 15.00233 65.65878       31.82034 -70.83657     100.7748 80.77479       33.53604 50.07298 24.25037 70.67801 17.66917 -20.60503      30.00467 
1 1 1 -20 16 28 o 48.77853 16.37426 11.09430       34.93518 -15.93675     137.9855 12.94567       36.11173 56.17217 27.46409 41.38490 17.83786 14.78727       32.74852 
1 1 1 -20 16 29 o 45.41643 15.25895 11.54052       34.73496 49.38365      102.2725 6.606155       36.93014 52.68568 25.23679 38.14718 17.15946 14.53850       30.51790 
1 1 1 -20 18 1  o 334.0896 13.95464 1533.730       125.5350 0.000000      0.000000 1533.730       125.5350 ?        ?        334.0896 13.95464 ?              ?        
1 1 1 -20 18 2  o 357.8724 6.866080 1644.473       53.46999 1570.249      59.43883 1959.353       122.4254 340.0074 6.492298 375.7374 12.10051 -35.72998      13.73216 
1 1 1 -20 18 3  o 52.85754 14.31638 -6.058081      13.43689 -10.35833     13.70446 100.8546       68.33286 21.91372 10.08464 83.80135 26.79804 -61.88763      28.63276 
1 1 1 -20 18 4  o 251.8329 9.771282 864.1622       65.98626 791.4095      88.62230 954.6776       98.85065 240.0724 13.70936 263.5933 13.92714 -23.52081      19.54256 
1 1 1 -20 18 5  o 103.6216 14.66172 148.4490       23.86087 159.8220      79.46224 147.3219       25.01529 103.0645 27.93460 104.1787 8.917498 -1.114235      29.32343 
1 1 1 -20 18 6  o 35.56096 12.80778 -65.50497      21.23304 -40.47035     73.87734 -67.75913      22.16837 52.05785 23.75289 19.06407 9.589400 32.99378       25.61555 
1 1 1 -20 18 7  o 234.1622 9.021885 747.5363       56.52214 755.7888      85.05379 741.0095       75.64044 235.1460 13.43299 233.1785 12.04709 1.967545       18.04377 
1 1 1 -20 18 8  o 220.9143 7.201512 596.0574       31.59591 766.0272      82.94857 567.2106       34.17206 236.8948 13.00379 204.9339 6.192614 31.96088       14.40302 
1 1 1 -20 18 9  o 532.5618 8.000582 3889.496       109.3490 3752.722      183.2576 3965.119       136.2660 524.3629 12.97916 540.7607 9.358343 -16.39783      16.00116 
1 1 1 -20 18 10 o 187.5858 7.525218 480.5035       23.89238 475.0241      71.23810 481.1979       25.36130 186.3096 14.20018 188.8620 4.987047 -2.552444      15.05044 
1 1 1 -20 18 11 o 232.8331 6.571830 709.5547       27.99562 770.4108      78.11898 700.5872       29.98741 237.7728 12.20144 227.8933 4.886794 9.879471       13.14366 
1 1 1 -20 18 12 f 251.1444 6.666218 794.6204       30.92038 941.9517      87.10458 773.3782       33.07438 262.8748 12.30577 239.4140 5.130490 23.46077       13.33244 
1 1 1 -20 18 13 o 63.88680 15.16788 15.03610       19.52644 128.8650      71.61742 5.894781       20.29536 93.68931 26.94591 34.08428 13.93470 59.60503       30.33576 
1 1 1 -20 18 14 o 239.1435 6.800475 695.7875       31.02134 897.3889      85.64127 665.3414       33.28146 256.3099 12.40893 221.9770 5.568150 34.33293       13.60095 
1 1 1 -20 18 15 o 190.7298 9.207285 539.3279       32.22203 442.8488      83.03546 556.4316       34.96170 178.5981 17.26647 202.8616 6.400434 -24.26353      18.41457 
1 1 1 -20 18 16 o 218.5299 8.257622 648.9785       34.39169 656.7126      89.64717 647.6437       37.24119 218.1936 15.25848 218.8661 6.319192 -0.6725159     16.51524 
1 1 1 -20 18 17 o 61.60452 16.26812 46.31528       28.74964 -15.67766     90.24033 53.31833       30.33005 61.99616 27.41956 61.21288 17.51499 0.7832756      32.53625 
1 1 1 -20 18 18 o 203.3563 9.490693 530.2682       36.87360 690.0152      100.4916 505.4136       39.63847 214.9907 17.35908 191.7219 7.678243 23.26883       18.98139 
1 1 1 -20 18 19 o 37.27953 18.71054 -380.7019      67.74555 -692.8453     119.9892 -234.6397      82.07935 ?        ?        37.27953 18.71054 ?              ?        
1 1 1 -20 18 20 o 152.3975 15.38269 160.5923       49.10571 798.4345      127.7852 50.08014       53.18988 239.9279 19.77955 64.86703 23.56434 175.0609       30.76538 
1 1 1 -20 18 21 o 57.23859 17.00227 32.51448       35.80862 -27.91770     103.5248 40.72736       38.16438 59.60556 27.53281 54.87163 19.95629 4.733929       34.00454 
1 1 1 -20 18 22 o 55.49833 17.53583 -6.712049      32.16565 80.91682      102.3357 -16.31828      33.88287 75.71931 31.16179 35.27736 16.09235 40.44195       35.07166 
1 1 1 -20 18 23 o 121.3284 17.48626 272.8434       41.30712 182.7422      102.9365 290.1374       45.09746 98.77054 32.97862 143.8863 11.63990 -45.11574      34.97252 
1 1 1 -20 18 24 o 59.87162 17.79975 35.98962       33.00505 64.46233      104.0710 32.80566       34.80154 69.75394 30.17315 49.98931 18.89194 19.76463       35.59950 
1 1 1 -20 18 25 o 86.67397 17.53306 136.0505       36.41100 122.6630      105.7710 137.8502       38.78130 77.15845 31.70865 96.18948 14.97309 -19.03104      35.06611 
1 1 1 -20 18 26 o 51.22276 16.08852 26.49389       35.70560 -13.46587     102.9445 31.95845       38.06879 53.99515 25.71398 48.45036 19.34302 5.544788       32.17703 
1 1 1 -20 18 27 o 51.21220 16.36968 31.06977       34.67941 69.04082      102.4202 26.15266       36.85650 57.98389 26.99027 44.44051 18.53082 13.54338       32.73936 
1 1 1 -20 18 28 o 49.92551 15.67023 44.50609       36.97571 23.92785      104.0456 47.48069       39.55798 49.99947 24.31347 49.85156 19.77574 0.1479073      31.34046 
1 1 1 -20 20 1  o 92.90617 20.48105 137.4616       58.70103 203.3427      89.02941 86.79371       78.07637 109.5589 29.51564 76.25343 28.40282 33.30549       40.96210 
1 1 1 -20 20 2  o 204.5684 12.31265 615.1685       67.33902 717.0242      98.13171 524.5223       92.57457 221.4764 16.45502 187.6604 18.32043 33.81599       24.62531 
1 1 1 -20 20 3  o 142.9723 18.81953 311.1421       69.76662 311.9945      99.88686 310.3301       97.48672 142.9742 26.93389 142.9703 26.29190 0.3921509E-02  37.63905 
1 1 1 -20 20 4  o 230.0480 14.92435 750.3546       87.92533 487.4100      123.3320 1022.121       125.3838 186.9333 24.50224 273.1627 17.04655 -86.22937      29.84869 
1 1 1 -20 20 5  o 85.96852 18.63124 51.87461       25.70449 200.9309      110.1904 43.29671       26.43377 116.1883 33.42579 55.74870 16.46843 60.43963       37.26249 
1 1 1 -20 20 6  o 258.5993 8.852791 937.8666       45.21022 928.0012      111.4854 939.8083       49.45961 254.5383 16.26602 262.6603 6.993151 -8.121994      17.70558 
1 1 1 -20 20 7  o 148.6442 12.40639 343.4304       35.85212 331.9817      86.86405 345.7812       39.36118 140.2558 23.00043 157.0326 9.308823 -16.77684      24.81277 
1 1 1 -20 20 8  o 308.3187 7.648149 1307.071       54.24367 1330.665      110.6078 1299.600       62.24250 307.9830 13.33753 308.6544 7.489127 -0.6713562     15.29630 
1 1 1 -20 20 9  o 146.7756 10.36323 229.1258       21.30928 396.0999      88.34616 218.8115       21.95758 166.4801 19.70797 127.0710 6.417331 39.40909       20.72646 
1 1 1 -20 20 10 o 211.3590 8.851764 656.5339       28.59095 565.5872      91.71323 666.3238       30.09046 200.6721 16.97311 222.0458 5.032721 -21.37369      17.70353 
1 1 1 -20 20 11 o 93.30174 18.55944 102.1376       43.01770 217.3233      92.53326 70.37992       48.58732 116.8671 29.42415 69.73635 22.62810 47.13078       37.11889 
1 1 1 -20 20 12 o 400.1610 7.541629 2248.307       61.82291 2181.331      145.2122 2263.135       68.32434 392.4858 13.74029 407.8362 6.221660 -15.35046      15.08326 
1 1 1 -20 20 13 o 140.7295 14.62616 279.5578       31.81047 379.7934      103.2109 269.0367       33.43829 142.7667 27.84830 138.6923 8.953818 4.074402       29.25233 
1 1 1 -20 20 14 o 53.40087 15.85664 22.25856       33.43824 -116.3282     103.2804 38.48650       35.34180 52.44574 25.18494 54.35600 19.27305 -1.910255      31.71327 
1 1 1 -20 20 15 f 278.3709 10.54562 1011.826       75.80255 1221.593      131.2319 906.7932       92.86071 298.6883 16.31691 258.0535 13.36407 40.63477       21.09123 
1 1 1 -20 20 16 o 294.2504 16.25775 1184.813       128.8134 1184.813      128.8134 0.000000       0.000000 294.2504 16.25775 ?        ?        ?              ?        
1 1 1 -20 20 17 o 143.4752 17.30342 341.3131       36.69534 287.0952      116.2878 347.3089       38.67117 127.8513 33.40882 159.0991 9.026848 -31.24783      34.60683 
1 1 1 -20 20 18 o 88.61678 16.54205 138.8911       33.77700 68.14455      96.88177 148.6803       36.03817 74.31566 30.42112 102.9179 13.00434 -28.60224      33.08410 
1 1 1 -20 20 19 o 58.96864 16.55791 42.00047       33.57391 -2.729715     88.68535 49.48356       36.27372 59.57191 26.70993 58.36536 19.57646 1.206551       33.11583 
1 1 1 -20 20 20 o 56.33407 14.90513 45.00248       30.30653 -68.28267     87.00814 60.64468       32.33123 49.75661 23.68020 62.91152 18.10801 -13.15491      29.81026 
1 1 1 -20 20 21 o 36.78368 12.85434 -54.75862      31.52868 -128.3599     83.96538 -42.67764      34.01798 43.27612 21.21458 30.29124 14.52163 12.98488       25.70868 
1 1 1 -20 20 22 o 55.91911 16.83231 24.25345       31.10811 68.39677      88.20965 17.98357       33.24400 67.96639 28.52793 43.87183 17.87354 24.09456       33.66461 
1 1 1 -20 20 23 o 67.30888 18.07804 57.20273       33.76062 135.8834      90.31106 44.42128       36.39963 80.57493 30.43748 54.04282 19.51468 26.53211       36.15609 
1 1 1 -20 20 24 o 47.68294 14.70398 21.44095       32.46667 -73.21289     91.69049 35.00988       34.71587 46.42832 22.63188 48.93755 18.77835 -2.509232      29.40796 
1 1 1 -20 20 25 o 54.92300 17.08907 21.20457       35.24380 145.4333      91.58398 -0.3905162     38.18439 71.65031 29.48238 38.19569 17.28971 33.45462       34.17814 
1 1 1 -20 20 26 o 51.54477 16.67908 36.07116       36.99609 124.0448      102.9030 23.01190       39.64705 60.34806 27.72088 42.74148 18.55586 17.60658       33.35817 
1 1 1 -20 22 1  o 70.41965 17.91560 74.11601       50.98800 -9.838572     75.83923 143.3660       68.87817 52.22622 23.91915 88.61308 26.67863 -36.38685      35.83120 
1 1 1 -20 22 2  o 81.82947 19.41655 114.6264       49.86131 114.1932      80.36520 114.8975       63.57763 81.23722 29.03529 82.42172 25.78685 -1.184502      38.83310 
1 1 1 -20 22 3  o 201.1899 10.86238 585.7748       57.84198 569.0571      89.44830 597.7896       75.83004 197.3818 16.82990 204.9979 13.73752 -7.616150      21.72476 
1 1 1 -20 22 4  o 82.31538 20.08225 117.3972       55.16752 90.72559      81.74734 139.7028       74.75768 75.26834 28.83152 89.36241 27.96302 -14.09407      40.16450 
1 1 1 -20 22 5  o 69.23269 14.73468 53.07014       15.05066 100.6418      74.45861 51.04364       15.36789 77.73763 27.93058 60.72775 9.398178 17.00988       29.46936 
1 1 1 -20 22 6  o 108.7152 12.85245 135.9871       18.15072 228.2490      76.93392 130.5490       18.67798 119.5952 24.70775 97.83528 7.090076 21.75989       25.70490 
1 1 1 -20 22 7  o 169.5013 10.03890 355.7648       30.81749 473.5482      90.37048 340.2654       32.78252 181.0242 18.53987 157.9784 7.706572 23.04578       20.07780 
1 1 1 -20 22 8  o 98.80311 14.28602 141.4561       17.42528 149.0377      75.97019 141.0350       17.90257 95.72822 27.81676 101.8780 6.526068 -6.149780      28.57205 
1 1 1 -20 22 9  o 69.62299 15.68869 57.81124       19.27341 86.65453      81.19639 56.08908       19.84045 76.79176 28.89344 62.45421 12.23560 14.33755       31.37739 
1 1 1 -20 22 10 o 110.8051 14.03795 146.9765       21.83759 235.0661      84.64770 140.6957       22.60270 120.2341 26.82712 101.3760 8.280215 18.85806       28.07591 
1 1 1 -20 22 11 o 185.2812 9.409091 418.7540       28.52424 568.0434      94.36526 403.7418       29.92406 198.2340 17.67871 172.3284 6.448822 25.90567       18.81818 
1 1 1 -20 22 12 o 58.83367 16.84643 11.05447       26.34366 97.40353      85.40392 1.974671       27.69409 80.73389 29.77798 36.93345 15.76327 43.80043       33.69286 
1 1 1 -20 22 13 o 186.9611 10.04320 451.4451       31.79086 545.5881      98.46784 440.4901       33.58964 193.9762 18.85222 179.9460 6.932338 14.03021       20.08640 
1 1 1 -20 22 14 o 104.1094 16.17045 194.1506       28.03367 130.5205      91.74348 200.7036       29.44185 87.45496 31.04766 120.7638 9.054089 -33.30888      32.34090 
1 1 1 -20 22 15 o 100.1515 16.14594 130.8278       28.83886 207.8433      89.67945 121.9449       30.45661 107.3330 29.91235 92.96996 12.16622 14.36300       32.29188 
1 1 1 -20 22 16 o 51.69953 14.60014 29.53970       30.77535 -116.3426     90.36675 48.67918       32.73199 46.25844 22.53124 57.14062 18.57415 -10.88218      29.20027 
1 1 1 -20 22 17 o 49.87651 15.48150 11.10334       30.10073 -0.2392434    80.15160 12.96571       32.47802 57.06019 25.50148 42.69284 17.56079 14.36735       30.96300 
1 1 1 -20 22 18 o 39.49291 13.40194 -29.25288      31.13135 -120.4186     85.44683 -15.29926      33.42901 43.96561 21.52050 35.02020 15.97860 8.945412       26.80387 
1 1 1 -20 22 19 o 58.53290 16.47169 44.04931       30.42539 46.54310      83.89577 43.67166       32.64798 63.19812 27.21444 53.86768 18.56449 9.330444       32.94337 
1 1 1 -20 22 20 o 51.66985 16.04434 1.827709       30.16549 79.85582      81.02891 -10.72633      32.50171 68.36606 27.88441 34.97364 15.87900 33.39242       32.08868 
1 1 1 -20 22 21 o 44.16480 14.63999 -6.002922      31.44936 -11.83497     84.45940 -5.064126      33.88618 51.72913 24.22021 36.60047 16.45290 15.12866       29.27997 
1 1 1 -20 22 22 o 83.35442 13.79547 161.6907       33.93808 22.03125      82.87529 189.8300       37.20031 53.67082 24.73631 113.0380 12.22190 -59.36720      27.59093 
1 1 1 -20 22 23 o 51.21506 16.56129 22.50043       44.58130 99.20287      86.74722 -5.028798      51.96943 61.33736 27.01810 41.09275 19.16056 20.24462       33.12257 
1 1 1 -20 22 24 o 46.31503 15.34660 18.86152       42.14339 38.85917      87.41128 12.80540       48.10335 50.48870 23.94294 42.14137 19.20436 8.347324       30.69319 
1 1 1 -20 24 1  o 45.94204 15.33614 -15.05850      49.54695 -18.95071     73.41363 -11.80260      67.14515 46.22578 21.92744 45.65830 21.44705 0.5674744      30.67228 
1 1 1 -20 24 2  o 65.81580 17.98256 80.65918       49.99141 21.13423      75.55746 127.0053       66.67061 53.55050 24.27337 78.08110 26.53854 -24.53060      35.96512 
1 1 1 -20 24 3  f 80.04166 18.30348 124.0001       47.11285 165.7645      67.25426 83.75689       66.01819 92.92596 25.90614 67.15735 25.86390 25.76861       36.60696 
1 1 1 -20 24 4  o 87.35629 18.42021 146.7672       49.44756 188.4335      67.40633 98.22109       72.75881 102.4408 24.72015 72.27174 27.31540 30.16911       36.84042 
1 1 1 -20 24 5  o 63.08907 10.74304 88.62849       14.47826 -58.51220     67.34490 95.75878       14.82491 42.66967 20.44958 83.50846 6.592926 -40.83879      21.48608 
1 1 1 -20 24 6  o 42.98488 13.08049 14.06113       14.07100 10.27351      64.37206 14.25118       14.41971 52.13668 23.10372 33.83308 12.27254 18.30360       26.16098 
1 1 1 -20 24 7  o 82.98019 14.01055 104.7937       14.06863 113.2555      70.94213 104.4473       14.35371 78.56516 27.34920 87.39523 6.099483 -8.830070      28.02110 
1 1 1 -20 24 8  o 67.14557 11.68957 94.86234       15.08937 -20.35176     68.20477 100.7918       15.47278 48.54802 22.39802 85.74312 6.701711 -37.19510      23.37914 
1 1 1 -20 24 9  o 48.00828 12.38629 33.14659       16.15741 -43.82515     68.52017 37.67852       16.62627 45.55441 21.48089 50.46214 12.33904 -4.907734      24.77258 
1 1 1 -20 24 10 o 45.40553 13.77147 14.28857       19.23249 17.04760      64.37223 14.01815       20.15298 54.13931 23.57421 36.67174 14.24325 17.46758       27.54294 
1 1 1 -20 24 11 o 73.51057 12.49662 115.6879       22.21031 -19.25104     73.75830 129.1435       23.29137 50.60442 23.32759 96.41673 8.971380 -45.81232      24.99324 
1 1 1 -20 24 12 o 121.6070 14.67168 236.0584       25.82507 232.2259      85.60421 236.4421       27.08708 112.2704 28.31986 130.9435 7.682364 -18.67308      29.34337 
1 1 1 -20 24 13 o 83.13184 15.89836 101.5967       25.64275 134.7170      82.11511 98.01785       26.99263 83.47189 29.40113 82.79177 12.10806 0.6801224      31.79672 
1 1 1 -20 24 14 o 80.83031 15.84630 99.21445       26.44300 123.0096      80.72627 96.35440       27.98707 79.91535 29.03022 81.74528 12.71485 -1.829926      31.69260 
1 1 1 -20 24 15 o 40.16953 13.40583 -12.19073      27.85240 -74.13391     79.81964 -3.602843      29.72050 45.04275 21.75795 35.29631 15.66706 9.746433       26.81166 
1 1 1 -20 24 16 o 113.7770 13.53187 170.4717       29.22509 271.4460      79.09441 154.5062       31.45079 123.6678 24.61781 103.8863 11.24320 19.78151       27.06375 
1 1 1 -20 24 17 o 56.32385 16.39182 5.413949       28.18765 138.1849      81.44513 -12.65363      30.04440 79.87527 29.13725 32.77243 15.02620 47.10284       32.78363 
1 1 1 -20 24 18 o 55.19967 16.00566 44.25420       42.14232 -35.57630     80.80745 74.07771       49.39082 47.08549 22.52216 63.31384 22.74813 -16.22834      32.01133 
1 1 1 -20 24 19 o 52.80872 16.79945 24.08187       44.00107 81.84103      85.86769 3.514687       51.23972 61.96204 27.09684 43.65540 19.86575 18.30664       33.59891 
1 1 1 -20 24 20 o 52.23449 16.41742 44.22339       42.39632 72.37551      80.41636 33.38633       49.89359 56.66869 25.41941 47.80030 20.78412 8.868393       32.83483 
1 1 1 -20 24 21 o 42.96678 14.50622 -2.610475      44.16108 -18.15939     84.02424 3.323824       51.90859 44.58630 21.71884 41.34726 19.23574 3.239037       29.01244 
1 1 1 -20 26 3  o 48.94971 16.04660 12.67032       54.61265 -79.34822     79.01689 96.82806       75.56651 38.84011 19.31666 59.05931 25.62890 -20.21920      32.09320 
1 1 1 -20 26 4  o 43.13811 14.68917 -26.77453      52.45730 -94.79516     78.32082 28.56430       70.64344 37.88091 18.90225 48.39532 22.48982 -10.51441      29.37835 
1 1 1 -20 26 5  o 42.83070 13.37655 17.78334       14.72643 36.43829      76.83902 17.07200       15.00457 51.08916 23.64152 34.57223 12.52227 16.51693       26.75311 
1 1 1 -20 26 6  o 57.64907 12.52572 55.44973       13.36732 38.30403      71.83595 56.06471       13.60493 52.43588 23.72705 62.86226 8.037538 -10.42638      25.05145 
1 1 1 -20 26 7  o 35.71512 11.48288 8.584482       14.50864 -73.72663     71.44567 12.12486       14.81738 39.53574 19.41884 31.89450 12.26112 7.641235       22.96576 
1 1 1 -20 26 8  o 50.92902 15.21787 17.15987       16.47866 111.4382      77.48692 12.69409       16.86442 68.57590 27.51928 33.28214 13.00089 35.29376       30.43574 
1 1 1 -20 26 9  o 35.69009 12.15236 -17.76490      24.91463 -52.23531     67.49799 -12.32759      26.80770 40.97270 19.84397 30.40747 14.03341 10.56523       24.30472 
1 1 1 -20 26 10 o 35.88702 12.01460 -1.780549      19.18514 -71.81944     73.94988 3.273683       19.86531 40.95517 20.04131 30.81886 13.25701 10.13631       24.02920 
1 1 1 -20 26 11 o 43.49973 13.04316 22.10992       22.71404 -48.66708     73.14754 29.66288       23.89528 42.86949 20.73717 44.12997 15.82611 -1.260487      26.08632 
1 1 1 -20 26 12 o 49.14371 13.41774 39.51901       23.87167 -28.39010     73.15443 47.61201       25.25408 44.77740 21.42103 53.51003 16.16424 -8.732628      26.83548 
1 1 1 -20 26 13 o 41.08292 14.08954 -17.46058      26.83331 32.57410      82.90363 -23.31567      28.35991 53.40921 24.65936 28.75663 13.63731 24.65259       28.17907 
1 1 1 -20 26 14 o 39.72575 13.22690 -0.1620844     27.59932 -59.56928     84.49796 6.932694       29.20090 43.18776 21.19348 36.26373 15.83161 6.924023       26.45380 
1 1 1 -20 26 15 o 57.70660 15.27809 74.86086       37.97698 -17.14857     86.04205 97.12240       42.32259 45.92429 22.28049 69.48891 20.91077 -23.56462      30.55618 
1 1 1 -20 26 16 o 38.92454 13.59599 -41.31793      39.03807 1.671423      83.79708 -53.23403      44.11797 46.62710 22.46556 31.22198 15.32000 15.40512       27.19198 
1 1 1 -20 26 17 o 39.79828 13.46123 -15.27288      40.23440 -72.14523     78.38036 5.074516       46.88254 39.19530 19.45020 40.40125 18.61473 -1.205948      26.92246 
1 1 1 -19 1  1  o 368.1935 4.462120 1828.817       44.23839 1824.929      62.46568 1832.729       62.65985 367.8013 6.307319 368.5858 6.313460 -0.7844849     8.924239 
1 1 1 -19 1  2  o 221.5426 3.666088 661.7884       21.86673 659.4339      31.15298 664.0750       30.70043 221.1513 5.231506 221.9340 5.137328 -0.7826843     7.332176 
1 1 1 -19 1  3  o 217.4415 3.693577 637.5275       21.62089 627.7744      30.18474 647.8041       30.98404 215.7363 5.196140 219.1467 5.250731 -3.410339      7.387155 
1 1 1 -19 1  4  o 171.4920 3.914199 396.4625       18.06066 418.9318      25.85179 375.0399       25.24238 176.2408 5.447545 166.7432 5.622104 9.497559       7.828397 
1 1 1 -19 1  5  f 494.0854 5.523675 3299.007       73.46883 3341.611      105.3319 3258.642       102.5261 497.1765 7.868032 490.9943 7.754870 6.182220       11.04735 
1 1 1 -19 1  6  o 438.7039 4.986236 2597.949       58.87320 2652.286      84.87415 2547.560       81.73322 443.1095 7.113462 434.2982 6.989194 8.811249       9.972471 
1 1 1 -19 1  7  o 223.1484 3.572741 671.2382       21.46433 658.3595      30.06618 684.6243       30.65261 220.9661 5.053232 225.3307 5.052004 -4.364609      7.145481 
1 1 1 -19 1  8  o 254.1147 3.526484 869.9699       24.11891 850.3364      33.49701 891.1077       34.75642 251.1420 4.953399 257.0874 5.020775 -5.945435      7.052968 
1 1 1 -19 1  9  o 298.1630 3.751055 1198.603       30.11125 1207.010      43.00684 1190.519       42.17289 299.1855 5.338431 297.1404 5.270942 2.045013       7.502111 
1 1 1 -19 1  10 o 102.1396 4.888342 141.0232       13.42481 135.4498      19.24795 146.3027       18.73361 100.1629 7.136648 104.1162 6.682202 -3.953369      9.776685 
1 1 1 -19 1  11 o 334.8213 4.031881 1511.979       36.34322 1517.694      51.94373 1506.499       50.86733 335.4357 5.750961 334.2068 5.652496 1.228851       8.063763 
1 1 1 -19 1  12 o 290.1741 3.786347 1134.764       29.57298 1104.423      41.13839 1167.210       42.54194 286.1647 5.338851 294.1836 5.370510 -8.018890      7.572695 
1 1 1 -19 1  13 o 209.4969 3.765841 591.7828       21.23493 599.9442      30.54193 584.1459       29.54436 210.8906 5.378434 208.1033 5.272447 2.787323       7.531683 
1 1 1 -19 1  14 o 185.2574 4.108867 463.0499       20.48598 443.2347      28.79786 483.3505       29.14842 181.2389 5.900996 189.2759 5.719213 -8.036957      8.217734 
1 1 1 -19 1  15 o 168.2408 4.513217 382.0655       20.35558 382.4180      27.53347 381.6405       30.22929 168.3461 6.073994 168.1355 6.677059 0.2106628      9.026435 
1 1 1 -19 1  16 o 124.2728 5.726128 221.7545       18.00108 277.9240      24.00035 149.5217       27.21667 143.4896 6.211748 105.0559 9.621243 38.43372       11.45226 
1 1 1 -19 1  17 o 131.5294 4.934689 237.2138       17.19605 265.2253      23.31368 203.7905       25.46643 140.2169 6.174860 122.8419 7.699071 17.37501       9.869377 
1 1 1 -19 1  18 o 623.9310 6.817669 5256.814       114.3973 5111.240      157.1403 5420.956       166.8613 614.7985 9.492300 633.0634 9.788703 -18.26489      13.63534 
1 1 1 -19 1  19 o 717.3960 10.99190 6964.343       212.3319 6964.343      212.3319 0.000000       0.000000 717.3960 10.99190 ?        ?        ?              ?        
1 1 1 -19 1  20 o 385.6483 6.488667 2005.882       67.37988 0.000000      0.000000 2005.882       67.37988 ?        ?        385.6483 6.488667 ?              ?        
1 1 1 -19 1  21 o 93.81951 6.509445 117.8064       16.28309 143.5188      24.19486 96.51890       22.01476 103.1087 8.714538 84.53030 9.672039 18.57841       13.01889 
1 1 1 -19 1  22 o 336.9715 4.207375 1525.021       38.00534 1587.542      56.93957 1474.787       51.03866 343.1622 6.162137 330.7808 5.730277 12.38147       8.414749 
1 1 1 -19 1  23 o 215.0564 3.874853 620.6442       22.38078 661.3643      33.13570 586.4833       30.34988 221.5115 5.555415 208.6013 5.403268 12.91017       7.749706 
1 1 1 -19 1  24 o 204.3656 4.009949 563.9849       22.04296 547.1654      31.59564 579.9344       30.76775 201.3827 5.826687 207.3485 5.510761 -5.965790      8.019898 
1 1 1 -19 1  25 o 135.6494 5.088452 248.4350       18.52532 252.5172      27.42520 245.0092       25.12338 136.6529 7.453285 134.6459 6.929496 2.006989       10.17690 
1 1 1 -19 1  26 o 55.28287 11.23144 40.89265       18.83240 64.15263      27.15602 19.34203       26.13914 67.08575 15.36380 43.47998 16.38703 23.60577       22.46288 
1 1 1 -19 1  27 o 162.5631 6.214482 358.6608       27.20002 362.0464      38.79220 355.3865       38.14915 163.3127 8.821471 161.8135 8.755615 1.499222       12.42896 
1 1 1 -19 1  28 o 28.56863 14.14498 -136.7501      29.45162 -80.32965     40.58683 -199.5009      42.80326 28.56863 14.14498 ?        ?        ?              ?        
1 1 1 -19 1  29 o 38.57142 12.92899 -55.92537      35.95178 -48.41589     51.80358 -62.90284      49.93489 40.10223 18.83753 37.04061 17.71391 3.061619       25.85798 
1 1 1 -19 1  30 o 54.73903 14.28756 39.41413       28.05344 29.60040      39.20238 49.71429       40.16215 50.88486 19.83706 58.59320 20.56766 -7.708340      28.57512 
1 1 1 -19 1  31 o 79.91458 13.20109 99.22816       27.89180 98.51591      39.68390 99.92350       39.21029 79.54469 18.82125 80.28447 18.51583 -0.7397766     26.40219 
1 1 1 -19 1  32 o 132.2717 8.236604 250.1424       29.15503 290.7527      42.74478 214.8140       39.86823 142.6240 11.13031 121.9194 12.14425 20.70460       16.47321 
1 1 1 -19 1  33 o 83.36891 15.28597 129.3702       33.73451 134.8760      56.61293 126.3389       42.00676 81.42429 24.11323 85.31354 18.79350 -3.889244      30.57194 
1 1 1 -19 1  34 o 50.39531 15.13965 48.74859       37.38575 21.10840      60.01029 66.28061       47.79377 45.60064 21.02815 55.18998 21.78652 -9.589336      30.27929 
1 1 1 -19 3  1  o 128.7274 4.532877 222.9197       15.68656 234.1564      22.99743 213.1430       21.45145 131.7500 6.482544 125.7048 6.337549 6.045143       9.065754 
1 1 1 -19 3  2  o 329.2955 4.171849 1462.072       36.98045 1479.512      53.05727 1445.597       51.57090 331.1997 5.949378 327.3914 5.849975 3.808258       8.343699 
1 1 1 -19 3  3  o 176.1219 3.856147 418.5464       18.28132 411.0091      26.02891 425.8842       25.68196 174.5514 5.537953 177.6925 5.367545 -3.141144      7.712293 
1 1 1 -19 3  4  o 223.8424 3.668995 675.0368       22.08908 661.6642      30.40179 689.9904       32.14872 221.5034 5.097244 226.1815 5.278656 -4.678040      7.337990 
1 1 1 -19 3  5  o 269.5253 3.763753 979.1302       27.29634 964.6823      37.79546 994.8821       39.46429 267.4547 5.248147 271.5958 5.396323 -4.141083      7.527506 
1 1 1 -19 3  6  o 448.0234 5.076792 2711.587       61.24045 2734.480      87.28321 2689.390       85.94640 449.8801 7.205275 446.1667 7.153971 3.713440       10.15358 
1 1 1 -19 3  7  o 301.8630 3.827620 1228.965       31.10607 1218.244      43.51056 1240.172       44.48693 300.5206 5.376963 303.2054 5.448942 -2.684845      7.655240 
1 1 1 -19 3  8  o 382.0861 4.437508 1967.057       45.59021 2029.424      66.62585 1912.144       62.51856 387.7559 6.381179 376.4164 6.168181 11.33957       8.875016 
1 1 1 -19 3  9  o 149.8053 3.811185 302.5554       15.35436 304.8842      22.31523 300.4615       21.15953 150.3466 5.512193 149.2641 5.264624 1.082458       7.622370 
1 1 1 -19 3  10 o 272.4198 3.646660 1000.565       26.74021 1007.720      38.38673 993.8209       37.27071 273.3607 5.215087 271.4789 5.098567 1.881866       7.293321 
1 1 1 -19 3  11 o 266.0150 3.661647 954.3574       26.21771 953.4358      37.59930 955.2294       36.57673 265.8836 5.251760 266.1464 5.103885 -0.2628174     7.323294 
1 1 1 -19 3  12 o 145.6710 4.339355 286.3033       16.91663 287.4361      25.38904 285.3989       22.68597 145.9100 6.462162 145.4320 5.793141 0.4780121      8.678711 
1 1 1 -19 3  13 o 135.6641 4.851018 249.4963       17.55477 241.3339      26.46927 255.9058       23.45545 133.6441 7.355443 137.6842 6.326687 -4.040085      9.702037 
1 1 1 -19 3  14 o 411.5983 4.776433 2286.857       52.92638 2272.862      74.01038 2301.505       75.71722 410.3190 6.698655 412.8776 6.810672 -2.558533      9.552865 
1 1 1 -19 3  15 f 172.7690 4.247286 402.3553       18.84268 401.2327      23.34950 404.4514       31.90576 172.4862 5.027358 173.0518 6.847147 -0.5655670     8.494572 
1 1 1 -19 3  16 o 302.8468 4.139035 1239.436       33.58437 1259.688      45.49588 1215.188       49.78423 305.6031 5.528800 300.0904 6.161072 5.512695       8.278069 
1 1 1 -19 3  17 o 288.8571 4.069081 1112.558       31.44035 1306.526      47.17293 957.5301       42.17279 311.2646 5.628331 266.4496 5.878059 44.81506       8.138163 
1 1 1 -19 3  18 o 322.6783 4.238650 1404.407       36.79101 1411.478      50.96804 1396.714       53.16198 323.5389 5.850432 321.8177 6.134904 1.721222       8.477300 
1 1 1 -19 3  19 o 323.0885 4.191942 1407.978       36.44184 1392.897      52.39317 1422.113       50.72061 321.4016 6.054011 324.7754 5.799866 -3.373749      8.383883 
1 1 1 -19 3  20 o 197.7157 3.883165 528.4804       20.58721 507.4239      30.16837 546.8323       28.16426 194.0063 5.775008 201.4251 5.192798 -7.418793      7.766329 
1 1 1 -19 3  21 o 214.4587 5.039433 619.7560       29.10106 0.000000      0.000000 619.7560       29.10106 ?        ?        214.4587 5.039433 ?              ?        
1 1 1 -19 3  22 o 181.3132 4.099525 444.6440       19.57239 435.7565      30.95813 450.5616       25.26160 179.7753 6.395305 182.8511 5.130740 -3.075745      8.199050 
1 1 1 -19 3  23 f 247.5663 3.980458 826.6699       26.09040 823.7362      40.76054 828.7063       33.95860 247.1647 6.124493 247.9678 5.085938 -0.8031311     7.960916 
1 1 1 -19 3  24 o 216.2812 4.195573 633.2021       23.95821 620.7318      37.59537 641.7294       31.08853 214.4332 6.511168 218.1291 5.293015 -3.695908      8.391146 
1 1 1 -19 3  25 o 191.9540 4.344806 499.0497       22.31340 483.7332      33.20850 511.6562       30.12778 189.2243 6.517621 194.6837 5.747172 -5.459381      8.689612 
1 1 1 -19 3  26 o 76.58864 10.31587 85.52352       20.29990 61.03139      30.51397 104.9696       27.18955 65.35575 17.13088 87.82153 11.49788 -22.46577      20.63173 
1 1 1 -19 3  27 o 89.18562 11.06755 111.8371       25.86774 98.04222      36.42370 125.8752       36.74341 82.69412 16.92782 95.67711 14.26225 -12.98299      22.13511 
1 1 1 -19 3  28 o ?        ?        -199.3491      34.24236 -212.7550     50.85444 -188.2295      46.31524 ?        ?        ?        ?        ?              ?        
1 1 1 -19 3  29 f 70.08128 15.40378 80.91261       33.82117 50.63052      48.87973 108.7270       46.84579 58.92221 22.36004 81.24035 21.19278 -22.31813      30.80755 
1 1 1 -19 3  30 o 32.39050 10.92626 -45.67419      26.82581 -65.09349     37.92834 -26.23629      37.94650 29.36892 14.36764 35.41207 16.46522 -6.043146      21.85252 
1 1 1 -19 3  31 o 36.59810 12.12752 -29.79329      29.61648 -53.15952     49.67610 -16.90781      36.88955 36.77236 17.60741 36.42383 16.68190 0.3485298      24.25504 
1 1 1 -19 3  32 o 87.52377 13.72277 135.5500       41.42956 245.8843      55.94906 1.608248       61.64465 126.4583 16.43093 48.58929 21.98368 77.86897       27.44554 
1 1 1 -19 3  33 o 41.68544 13.28258 5.825385       30.79204 9.715439      49.10459 3.304486       39.52956 43.81665 19.74098 39.55423 17.77644 4.262424       26.56516 
1 1 1 -19 5  1  o 341.2318 4.281356 1570.107       39.33796 1573.192      55.57581 1567.008       55.68890 341.5688 6.042605 340.8947 6.066874 0.6741028      8.562712 
1 1 1 -19 5  2  o 422.0522 4.916378 2403.182       55.86103 2436.934      79.97387 2371.026       78.05975 424.9399 6.989357 419.1646 6.916066 5.775330       9.832756 
1 1 1 -19 5  3  o 141.8773 4.258421 271.2779       16.26066 260.5016      22.64670 282.7457       23.36207 138.9701 6.052019 144.7845 5.992469 -5.814407      8.516843 
1 1 1 -19 5  4  o 183.0482 3.747765 450.8805       18.44534 433.6720      25.26485 470.5222       26.99202 179.3206 5.232425 186.7757 5.367001 -7.455002      7.495530 
1 1 1 -19 5  5  o 90.25584 5.950944 108.6745       14.35908 96.98729      18.99433 124.2612       21.93532 84.67584 8.330690 95.83585 8.500268 -11.16000      11.90189 
1 1 1 -19 5  6  o 306.7864 3.919623 1265.274       32.30001 1212.358      43.86058 1327.975       47.74436 299.8127 5.433017 313.7601 5.651204 -13.94742      7.839246 
1 1 1 -19 5  7  o 425.8328 4.873562 2447.651       55.86312 2480.614      80.23655 2416.641       77.82346 428.6033 6.952377 423.0622 6.831608 5.541138       9.747124 
1 1 1 -19 5  8  o 235.7087 3.560819 749.0507       22.59478 757.5101      32.37067 741.0134       31.55272 237.0034 5.072404 234.4141 4.998845 2.589233       7.121639 
1 1 1 -19 5  9  o 413.6655 4.739276 2310.803       52.77719 2308.999      75.42925 2312.533       73.87156 413.4939 6.774657 413.8372 6.629250 -0.3432617     9.478552 
1 1 1 -19 5  10 o 246.8091 3.580954 821.2309       23.72669 825.2236      34.97462 817.8267       32.29460 247.3488 5.251215 246.2694 4.870079 1.079422       7.161908 
1 1 1 -19 5  11 o 164.9752 3.950434 365.0882       17.31857 379.6849      26.98217 354.8616       22.58467 167.7399 5.973888 162.2106 5.170723 5.529312       7.900868 
1 1 1 -19 5  12 o 379.3029 4.445255 1941.560       45.39973 1922.430      63.94431 1961.005       64.46873 377.4182 6.292101 381.1876 6.280974 -3.769409      8.890511 
1 1 1 -19 5  13 o 130.9854 4.586608 233.6677       15.95007 246.0254      21.21022 217.5839       24.19744 135.0393 5.833128 126.9316 7.079724 8.107742       9.173216 
1 1 1 -19 5  14 o 61.51620 8.882245 50.03521       13.55825 43.17887      16.44993 64.56001       23.94268 55.38817 11.40947 67.64423 13.61621 -12.25606      17.76449 
1 1 1 -19 5  15 o 389.9972 4.588426 2047.834       48.02028 1995.490      64.92705 2111.043       71.34802 384.5412 6.270460 395.4532 6.700442 -10.91202      9.176851 
1 1 1 -19 5  16 o 70.85683 8.400257 68.59061       14.48638 67.48497      17.45085 71.04132       25.98090 70.64706 9.173587 71.06659 14.07489 -0.4195328     16.80051 
1 1 1 -19 5  17 o 151.5431 4.472712 312.0070       17.52601 318.0244      22.02838 301.6283       28.92996 153.5900 5.326431 149.4963 7.186775 4.093658       8.945423 
1 1 1 -19 5  18 o 82.74400 6.716006 93.26520       14.82867 99.84407      20.14623 85.48685       21.90593 85.97896 8.701983 79.50903 10.23203 6.469925       13.43201 
1 1 1 -19 5  19 o 85.86346 6.671083 99.80396       15.39298 106.2366      21.65939 93.23949       21.88021 88.67587 9.071047 83.05106 9.784145 5.624802       13.34217 
1 1 1 -19 5  20 f 59.02034 9.637694 47.99860       14.93081 58.51140      23.00134 40.34306       19.62825 64.50290 13.66790 53.53778 13.59151 10.96512       19.27539 
1 1 1 -19 5  21 o 196.6549 4.009285 522.2015       20.66750 517.0349      33.19438 525.4722       26.41133 195.8339 6.294964 197.4760 4.966982 -1.642075      8.018571 
1 1 1 -19 5  22 o 58.97051 10.50652 48.22869       16.19523 51.71273      26.98418 46.26713       20.24736 60.64230 16.21258 57.29873 13.36787 3.343575       21.01304 
1 1 1 -19 5  23 o 251.9851 4.048317 842.0168       26.60159 913.5947      44.20324 801.3746       33.30838 260.1855 6.309394 243.7848 5.074152 16.40071       8.096634 
1 1 1 -19 5  24 o 269.5095 5.401161 979.9786       39.19626 0.000000      0.000000 979.9786       39.19626 ?        ?        269.5095 5.401161 ?              ?        
1 1 1 -19 5  25 o 82.37842 9.657578 99.88477       19.14381 79.25642      32.62850 110.7136       23.64049 74.43677 16.69093 90.32008 9.720502 -15.88331      19.31516 
1 1 1 -19 5  26 o 99.62506 8.773481 132.4624       22.93209 149.3128      37.71514 122.5787       28.88497 104.4126 13.41465 94.83753 11.31119 9.575058       17.54696 
1 1 1 -19 5  27 o 86.95563 12.34787 113.3973       27.98656 68.64967      41.75572 149.8950       37.71063 69.34966 20.74805 104.5616 13.39393 -35.21195      24.69573 
1 1 1 -19 5  28 o 530.7194 7.931119 3766.051       105.6784 3973.682      189.2827 3672.020       127.3797 540.4984 13.00569 520.9404 9.080900 19.55804       15.86224 
1 1 1 -19 5  29 o 39.95985 13.09309 -30.71167      32.25034 -20.96921     52.57394 -36.58949      40.83611 44.31810 20.15009 35.60160 16.72392 8.716499       26.18617 
1 1 1 -19 5  30 o 40.27615 12.25297 -16.65828      28.50331 -90.59378     46.28316 28.51612       36.17785 31.05249 15.32477 49.49981 19.12308 -18.44731      24.50593 
1 1 1 -19 5  31 o 42.77444 13.47969 -19.95282      29.57693 35.07724      53.78366 -43.80947      35.41237 55.02777 22.61212 30.52111 14.67992 24.50666       26.95938 
1 1 1 -19 5  32 o 157.6272 8.248410 343.8975       32.66110 411.3686      59.66111 315.0233       39.02897 166.3670 13.31806 148.8875 9.735215 17.47949       16.49682 
1 1 1 -19 5  33 o 46.70590 14.09548 14.70473       29.29817 77.72340      54.70703 -10.63833      34.69269 59.39730 23.35297 34.01449 15.79141 25.38281       28.19095 
1 1 1 -19 7  1  o 270.9866 3.923398 988.8594       28.59266 1010.932      41.66269 969.2078       39.31189 273.8354 5.650337 268.1379 5.444806 5.697510       7.846797 
1 1 1 -19 7  2  o 146.9283 4.253288 291.2495       16.81319 277.4879      23.77550 305.0156       23.77939 143.4494 6.155277 150.4073 5.871491 -6.957901      8.506577 
1 1 1 -19 7  3  o 250.6347 3.780770 846.7887       25.51427 858.7784      36.22428 834.9849       35.94264 252.3962 5.330078 248.8732 5.363503 3.523071       7.561540 
1 1 1 -19 7  4  o 156.3827 4.069232 328.7091       17.03721 320.0143      22.77373 339.7601       25.67483 154.0540 5.490069 158.7115 6.007805 -4.657471      8.138463 
1 1 1 -19 7  5  o 403.7519 4.732179 2199.955       51.44495 2210.706      72.55634 2189.086       72.95360 404.7488 6.657426 402.7550 6.727015 1.993835       9.464357 
1 1 1 -19 7  6  o 91.54527 5.480174 110.0444       13.27418 96.91073      16.95426 130.8475       21.33784 84.69991 7.433826 98.39063 8.054032 -13.69073      10.96035 
1 1 1 -19 7  7  o 212.4149 3.603984 608.9251       20.59632 596.9811      29.55779 620.1982       28.71567 210.3799 5.217763 214.4499 4.972901 -4.069977      7.207967 
1 1 1 -19 7  8  f 279.7475 3.845468 1056.011       28.92024 1051.208      42.05727 1060.320       39.83218 279.1272 5.595714 280.3678 5.276217 -1.240540      7.690935 
1 1 1 -19 7  9  o 275.3435 3.756778 1023.767       27.81386 997.2787      40.09392 1048.339       38.61712 271.8902 5.476481 278.7968 5.144092 -6.906586      7.513556 
1 1 1 -19 7  10 o 233.0911 4.884244 742.2216       27.07293 715.8735      52.03417 752.0016       31.70175 230.0429 8.400331 236.1394 4.985761 -6.096451      9.768488 
1 1 1 -19 7  11 o 116.0217 4.671241 181.8391       14.58147 190.8987      20.67355 172.8705       20.56946 118.9062 6.456947 113.1373 6.752022 5.768951       9.342482 
1 1 1 -19 7  12 o 68.13045 7.374519 64.22574       12.56780 65.08223      15.66753 62.68005       21.04753 69.36383 8.388494 66.89706 12.13125 2.466766       14.74904 
1 1 1 -19 7  13 o 260.7507 3.715626 916.8426       25.93120 916.6608      34.81563 917.0692       38.86157 260.7447 4.958786 260.7567 5.534793 -0.1205444E-01 7.431251 
1 1 1 -19 7  14 o 255.6729 4.954358 881.1946       34.10794 881.1946      34.10794 0.000000       0.000000 255.6729 4.954358 ?        ?        ?              ?        
1 1 1 -19 7  15 o 49.96449 8.671090 39.65290       13.18532 56.67684      15.94900 2.895174       23.43568 64.74455 9.148434 35.18443 14.73287 29.56012       17.34218 
1 1 1 -19 7  16 o 257.4767 3.756336 893.9175       26.03433 906.5781      36.52729 880.8457       37.11596 259.3351 5.230856 255.6184 5.392438 3.716782       7.512672 
1 1 1 -19 7  17 o 737.3394 11.30045 7358.948       224.3606 0.000000      0.000000 7358.948       224.3606 ?        ?        737.3394 11.30045 ?              ?        
1 1 1 -19 7  18 o 307.1360 4.121083 1270.119       34.05453 1229.711      47.01815 1314.707       49.39011 302.0081 5.781807 312.2639 5.874012 -10.25577      8.242167 
1 1 1 -19 7  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 7  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 7  21 o 63.41123 10.27953 54.53257       16.66871 65.81772      27.93043 48.28976       20.77370 68.28123 15.54047 58.54122 13.45989 9.740013       20.55906 
1 1 1 -19 7  22 o 121.5627 5.728207 191.0231       17.53547 223.6296      31.91412 176.9218       20.98746 128.6186 9.215008 114.5067 6.806839 14.11185       11.45641 
1 1 1 -19 7  23 o 145.3906 5.542760 280.7306       19.90786 298.2704      36.79430 273.4706       23.67207 148.4361 9.205720 142.3451 6.176042 6.090912       11.08552 
1 1 1 -19 7  24 o 73.73982 10.71140 87.46369       18.38877 52.07077      35.61943 100.3243       21.47133 61.45864 19.31338 86.02100 9.269814 -24.56236      21.42279 
1 1 1 -19 7  25 o 71.33521 14.48394 68.45827       22.30698 67.87671      63.29390 68.54075       23.83641 72.91908 25.79885 69.75135 13.17411 3.167725       28.96787 
1 1 1 -19 7  26 o 134.6923 10.53470 205.5922       31.71958 337.7839      74.14190 175.9762       35.09336 155.8451 17.66799 113.5394 11.47876 42.30571       21.06940 
1 1 1 -19 7  27 o 28.81309 14.25749 -120.2449      36.46021 -267.6910     79.65450 -81.16458      41.00839 ?        ?        28.81309 14.25749 ?              ?        
1 1 1 -19 7  28 o 163.5785 11.83484 353.2946       45.85324 417.0123      92.57482 332.5808       52.78276 171.5806 20.03740 155.5763 12.59985 16.00430       23.66967 
1 1 1 -19 7  29 o 37.60868 12.47268 -35.37966      31.63290 -77.02409     55.53177 -15.37565      38.48767 37.09682 17.97466 38.12054 17.29689 -1.023724      24.94536 
1 1 1 -19 7  30 o 46.03445 13.38536 12.38068       28.78905 -35.72369     50.36628 35.72404       35.08564 40.12595 18.76075 51.94294 19.09728 -11.81698      26.77073 
1 1 1 -19 7  31 o 60.33408 14.40904 61.47681       29.01450 26.03302      55.22282 74.99213       34.10059 52.47678 22.32481 68.19137 18.22319 -15.71459      28.81808 
1 1 1 -19 7  32 o 47.18964 13.38389 25.66003       30.05628 -45.13912     56.14884 54.09475       35.58371 38.38530 18.46805 55.99398 19.37641 -17.60868      26.76778 
1 1 1 -19 7  33 o 63.19862 16.05718 88.47459       33.78060 103.2646      57.35949 80.62094       41.79807 64.55329 24.28550 61.84396 21.01302 2.709332       32.11437 
1 1 1 -19 9  1  o 346.1357 4.386973 1611.637       40.80969 1671.000      59.97350 1560.449       55.69134 352.0488 6.326640 340.2226 6.079126 11.82623       8.773947 
1 1 1 -19 9  2  o 126.8504 4.714788 217.2930       16.02947 214.2092      23.75286 219.8718       21.72132 126.0113 7.000404 127.6895 6.317534 -1.678276      9.429576 
1 1 1 -19 9  3  o 30.37296 9.167885 -0.5213781     13.26458 1.243983      18.38182 -2.439430      19.16029 30.78943 12.97828 29.95650 12.95240 0.8329296      18.33577 
1 1 1 -19 9  4  o 209.2809 3.735310 591.1871       20.96552 600.1155      28.52787 580.7017       30.91529 211.0133 5.020836 207.5485 5.531849 3.464828       7.470619 
1 1 1 -19 9  5  o 633.2472 6.934252 5419.732       118.1995 5345.475      164.6716 5498.652       169.7634 628.7966 9.725799 637.6979 9.886568 -8.901306      13.86850 
1 1 1 -19 9  6  o 267.9145 3.805280 967.2881       27.44523 944.3985      38.33932 991.3460       39.30555 264.6653 5.379775 271.1637 5.383181 -6.498413      7.610559 
1 1 1 -19 9  7  o 158.2599 3.992309 336.8582       16.92951 346.4737      25.37670 329.1465       22.72591 160.2788 5.879977 156.2411 5.401852 4.037735       7.984619 
1 1 1 -19 9  8  o 292.4090 3.992273 1154.320       31.39863 1109.214      44.83993 1197.714       43.98127 286.7844 5.806656 298.0337 5.480485 -11.24933      7.984546 
1 1 1 -19 9  9  o 153.5991 4.057318 318.0606       16.68902 319.2369      24.96121 317.1097       22.44283 153.8425 6.025678 153.3557 5.434935 0.4868469      8.114635 
1 1 1 -19 9  10 o 437.2863 4.972584 2580.002       58.53479 2621.244      83.97498 2541.026       81.63597 440.6771 7.076949 433.8956 6.987358 6.781494       9.945168 
1 1 1 -19 9  11 o 174.0645 3.649573 403.9512       16.66500 389.3260      21.11797 428.0928       27.13216 169.9585 4.614514 178.1706 5.655422 -8.212128      7.299146 
1 1 1 -19 9  12 o 177.6577 3.849502 420.0829       17.48227 408.6302      21.43030 442.8672       30.22671 174.1240 4.570738 181.1915 6.195403 -7.067520      7.699004 
1 1 1 -19 9  13 o 92.59921 5.812113 120.3239       13.38964 128.8928      16.43670 103.4201       23.08570 97.75391 6.244492 87.44451 9.804538 10.30939       11.62423 
1 1 1 -19 9  14 o 280.2619 3.875456 1056.090       29.20476 1113.569      42.70555 1005.592       40.02790 287.4040 5.518336 273.1198 5.442850 14.28424       7.750912 
1 1 1 -19 9  15 o 175.0485 3.698051 413.0128       17.41953 432.9940      24.78707 393.5147       24.48558 179.2352 5.135924 170.8618 5.322088 8.373383       7.396103 
1 1 1 -19 9  16 o 90.72432 6.102750 115.2123       14.35131 84.11859      21.10727 141.9454       19.57129 78.87859 9.937782 102.5701 7.086235 -23.69147      12.20550 
1 1 1 -19 9  17 o 221.6893 3.798393 663.1539       22.63881 647.3075      32.70642 677.7297       31.36773 219.1358 5.542892 224.2428 5.194949 -5.107010      7.596786 
1 1 1 -19 9  18 o 435.3319 5.090237 2555.752       59.65183 2571.215      85.47330 2541.070       83.28993 436.6075 7.270360 434.0563 7.126283 2.551178       10.18047 
1 1 1 -19 9  19 o 264.2476 5.619546 941.1259       39.98487 0.000000      0.000000 941.1259       39.98487 ?        ?        264.2476 5.619546 ?              ?        
1 1 1 -19 9  20 o 259.7980 6.356613 910.0441       44.46774 910.0441      44.46774 0.000000       0.000000 259.7980 6.356613 ?        ?        ?              ?        
1 1 1 -19 9  21 o 140.2457 5.676700 272.3397       20.04880 246.0371      34.29926 285.9907       24.70965 134.8871 9.443458 145.6043 6.302445 -10.71722      11.35340 
1 1 1 -19 9  22 o 84.73137 9.273344 103.4018       18.83117 88.35813      32.78682 110.8073       23.00387 79.00063 15.96222 90.46211 9.443889 -11.46148      18.54669 
1 1 1 -19 9  23 o 104.2988 12.13405 132.5527       22.00364 181.5517      65.65656 126.3531       23.35419 112.0354 22.54470 96.56222 8.982024 15.47314       24.26810 
1 1 1 -19 9  24 o 164.9950 9.713621 450.3628       28.13113 273.4139      69.90316 484.5574       30.72926 140.5586 18.46954 189.4315 6.024438 -48.87292      19.42724 
1 1 1 -19 9  25 o 185.4022 8.770159 484.1113       32.12308 449.7207      78.36111 491.0579       35.21827 180.2980 16.14085 190.5064 6.865547 -10.20844      17.54032 
1 1 1 -19 9  26 o 140.2704 14.72941 364.0847       34.15443 190.9752      84.14600 398.2301       37.37137 109.5519 28.31853 170.9890 8.116851 -61.43700      29.45883 
1 1 1 -19 9  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 9  28 o 44.91972 14.19017 -11.89684      32.21399 2.558745      58.45409 -18.20213      38.60552 51.78112 22.50579 38.05831 17.28969 13.72281       28.38034 
1 1 1 -19 9  29 o 49.80604 14.09763 25.67596       27.93498 10.50320      50.24327 32.46501       33.60857 49.29598 21.14066 50.31610 18.65597 -1.020115      28.19526 
1 1 1 -19 9  30 o 47.45180 14.44591 -0.8341152     29.20510 52.74549      59.69448 -17.69454      33.48641 60.75648 24.23257 34.14711 15.73275 26.60938       28.89181 
1 1 1 -19 9  31 o 41.44999 13.56775 -14.24457      30.52810 11.97701      60.94942 -23.02602      35.27144 49.53482 22.18089 33.36516 15.63148 16.16967       27.13550 
1 1 1 -19 9  32 o 43.21704 13.91637 10.66894       33.15702 11.88589      61.58599 10.17222       39.34625 45.99071 21.24106 40.44338 17.98552 5.547329       27.83274 
1 1 1 -19 11 1  o 229.7952 3.768762 710.9800       23.28733 723.9882      33.96511 699.4405       31.99006 231.7719 5.442380 227.8186 5.214859 3.953354       7.537524 
1 1 1 -19 11 2  o 245.2983 3.778162 810.7542       24.94688 816.2784      35.79326 805.5358       34.78862 246.1081 5.401220 244.4885 5.284396 1.619598       7.556324 
1 1 1 -19 11 3  f 504.1082 5.686790 3428.542       77.18274 3467.408      110.2196 3391.145       108.1165 506.9063 8.075099 501.3102 8.009439 5.596161       11.37358 
1 1 1 -19 11 4  o 187.8920 3.849654 474.5320       19.43919 455.8000      26.51011 496.3185       28.58987 183.8957 5.353732 191.8882 5.533253 -7.992523      7.699307 
1 1 1 -19 11 5  o 359.2582 4.417838 1740.295       42.72733 1730.900      59.73690 1750.136       61.13862 358.2708 6.192242 360.2456 6.302801 -1.974823      8.835675 
1 1 1 -19 11 6  o 378.8245 6.451697 1935.518       65.81054 0.000000      0.000000 1935.518       65.81054 ?        ?        378.8245 6.451697 ?              ?        
1 1 1 -19 11 7  o 429.1964 7.034244 2485.249       81.29371 0.000000      0.000000 2485.249       81.29371 ?        ?        429.1964 7.034244 ?              ?        
1 1 1 -19 11 8  o 335.8898 4.200578 1520.065       37.96984 1489.128      52.62804 1553.651       54.83484 332.3330 5.881124 339.4465 5.999317 -7.113495      8.401155 
1 1 1 -19 11 9  o 438.6091 5.035761 2595.426       59.47180 2576.811      83.68201 2614.424       84.53615 437.0214 7.111251 440.1967 7.132016 -3.175262      10.07152 
1 1 1 -19 11 10 o 174.2179 3.790844 409.7234       17.47069 412.3396      22.71889 405.9376       27.32973 174.9195 4.823535 173.5163 5.849402 1.403168       7.581688 
1 1 1 -19 11 11 o 118.4705 4.985239 202.8700       14.59038 232.5767      18.26819 150.5401       24.24618 131.3599 5.164749 105.5810 8.528528 25.77890       9.970477 
1 1 1 -19 11 12 o 124.2137 4.443425 206.9654       14.53420 202.9186      18.61020 213.2932       23.27127 122.6857 5.633441 125.7418 6.873168 -3.056145      8.886849 
1 1 1 -19 11 13 o 205.7585 3.564073 570.5453       19.73506 572.4291      28.41656 568.7901       27.42883 206.0829 5.120898 205.4340 4.958515 0.6489410      7.128146 
1 1 1 -19 11 14 o 188.6678 5.365025 479.8077       27.25543 479.8077      27.25543 0.000000       0.000000 188.6678 5.365025 ?        ?        ?              ?        
1 1 1 -19 11 15 f 172.7724 3.810752 404.3390       17.40117 391.4305      27.12677 413.3647       22.68309 170.3983 5.912203 175.1464 4.809697 -4.748032      7.621504 
1 1 1 -19 11 16 o 349.9318 6.260086 1650.869       58.98575 1650.869      58.98575 0.000000       0.000000 349.9318 6.260086 ?        ?        ?              ?        
1 1 1 -19 11 17 o 426.3796 7.089014 2451.848       81.38899 2451.848      81.38899 0.000000       0.000000 426.3796 7.089014 ?        ?        ?              ?        
1 1 1 -19 11 18 o 635.5756 9.814620 5457.399       167.9671 0.000000      0.000000 5457.399       167.9671 ?        ?        635.5756 9.814620 ?              ?        
1 1 1 -19 11 19 o 297.5948 6.113950 1199.038       47.16296 1183.188      77.82045 1208.240       59.29258 295.9216 9.766380 299.2681 7.357945 -3.346466      12.22790 
1 1 1 -19 11 20 o 173.6651 7.483649 449.3502       27.28711 344.4477      58.56273 478.4409       30.83941 159.0340 13.67565 188.2962 6.082485 -29.26222      14.96730 
1 1 1 -19 11 21 o 115.9773 11.52443 227.0773       24.49647 132.4760      54.99788 250.4898       27.36033 95.81664 21.80692 136.1379 7.463783 -40.32124      23.04885 
1 1 1 -19 11 22 f 58.68599 13.01625 52.57081       23.05535 -14.07951     56.94907 65.63590       25.21400 49.34070 21.80430 68.03128 14.22195 -18.69058      26.03251 
1 1 1 -19 11 23 o 49.56262 14.76953 12.22144       25.02506 5.556591      67.13850 13.29682       26.96850 57.79102 24.60142 41.33422 16.35009 16.45679       29.53905 
1 1 1 -19 11 24 o 177.8384 8.706930 372.1420       31.54632 532.0192      81.85051 344.2500       34.18752 196.3076 15.48463 159.3692 7.966725 36.93842       17.41386 
1 1 1 -19 11 25 o 72.46098 15.84491 86.11028       33.12207 -8.208762     88.43677 101.4992       35.72209 61.18436 27.09818 83.73760 16.42966 -22.55325      31.68983 
1 1 1 -19 11 26 o 712.4055 10.33418 6266.934       165.0418 8146.470      369.7755 5799.367       184.4314 770.6245 17.82018 654.1866 10.47008 116.4379       20.66836 
1 1 1 -19 11 27 o 57.32339 14.23360 39.99035       33.21983 -57.32442     63.43699 76.75983       38.99392 43.50381 20.56118 71.14297 19.68804 -27.63916      28.46719 
1 1 1 -19 11 28 o 62.59345 12.93400 63.27250       28.48271 -12.52823     50.75248 98.12244       34.41293 44.37711 20.02440 80.80979 16.37609 -36.43268      25.86799 
1 1 1 -19 11 29 o 65.61854 14.51053 70.89672       27.22251 55.95671      55.06204 75.72984       31.31774 61.40857 23.62871 69.82851 16.84949 -8.419937      29.02105 
1 1 1 -19 11 30 o 44.18533 12.75820 6.137495       30.67056 -178.9536     72.34555 46.69286       33.86439 34.03664 17.14638 54.33401 18.89679 -20.29736      25.51641 
1 1 1 -19 11 31 o 48.11542 14.90792 20.23301       30.93318 57.74839      66.27007 9.782211       34.97739 56.53732 24.26367 39.69352 17.32798 16.84379       29.81585 
1 1 1 -19 11 32 o 43.88710 14.04793 20.79379       33.31435 11.38292      66.33215 23.96834       38.52568 45.08735 21.22237 42.68684 18.41165 2.400513       28.09587 
1 1 1 -19 13 1  o 225.8522 3.703960 687.0740       22.50074 703.6893      32.74037 672.2027       30.97469 228.4309 5.322865 223.2735 5.152125 5.157425       7.407920 
1 1 1 -19 13 2  o 44.61950 8.980585 27.72768       11.52217 20.54303      16.84601 34.04333       15.79440 40.05970 13.33995 49.17929 12.02703 -9.119595      17.96117 
1 1 1 -19 13 3  o 225.1079 3.623638 682.8512       21.96376 676.1898      30.94266 689.6158       31.18162 224.0012 5.130077 226.2146 5.119112 -2.213364      7.247275 
1 1 1 -19 13 4  f 475.7472 5.453801 3053.568       69.86408 3050.985      98.54816 3056.178       99.05929 475.5471 7.696116 475.9474 7.729527 -0.4002686     10.90760 
1 1 1 -19 13 5  o 537.8244 7.621365 3918.877       102.6693 3885.030      182.0068 3934.675       124.3408 535.7225 12.61724 539.9263 8.552551 -4.203735      15.24273 
1 1 1 -19 13 6  o 604.7540 6.639416 4932.571       108.0272 4792.220      149.1171 5087.585       156.7129 595.7303 9.295959 613.7778 9.482221 -18.04755      13.27883 
1 1 1 -19 13 7  o 246.3213 3.608660 813.6768       23.87563 878.5616      35.28293 758.8677       32.42793 255.3350 5.131814 237.3076 5.074860 18.02737       7.217321 
1 1 1 -19 13 8  o 305.9331 3.982995 1261.416       32.80864 1282.988      46.61378 1240.238       46.18602 308.5262 5.610982 303.3399 5.654545 5.186340       7.965990 
1 1 1 -19 13 9  o 279.4016 3.908092 1051.163       29.37914 1111.438      42.21140 994.5315       40.91564 287.1664 5.458994 271.6368 5.593935 15.52960       7.816184 
1 1 1 -19 13 10 o 120.5908 4.849507 190.9135       14.99814 180.0014      18.34220 212.9296       26.05355 115.5555 5.894912 125.6261 7.702005 -10.07052      9.699014 
1 1 1 -19 13 11 o 188.3134 3.770041 475.7974       19.05939 451.9219      25.76736 504.6406       28.32142 183.1240 5.225662 193.5029 5.435559 -10.37891      7.540082 
1 1 1 -19 13 12 o 120.6077 4.604451 199.5984       14.69071 167.2586      21.63089 227.2860       20.01470 111.3591 7.213821 129.8562 5.724043 -18.49719      9.208902 
1 1 1 -19 13 13 o 211.5159 5.553953 602.9725       31.63214 602.9725      31.63214 0.000000       0.000000 211.5159 5.553953 ?        ?        ?              ?        
1 1 1 -19 13 14 o 250.0277 5.628847 842.5618       37.89579 842.5618      37.89579 0.000000       0.000000 250.0277 5.628847 ?        ?        ?              ?        
1 1 1 -19 13 15 o 53.12689 13.01909 31.04203       16.88514 36.92832      47.93012 30.20800       18.04176 59.50511 22.23623 46.74867 13.54758 12.75644       26.03819 
1 1 1 -19 13 16 o 169.1359 6.436731 390.1959       21.81445 380.4770      53.15784 392.1641       23.92148 167.6858 11.77302 170.5859 5.207887 -2.900162      12.87346 
1 1 1 -19 13 17 o 176.4077 6.449706 428.3270       23.51362 407.8972      54.76909 432.9435       26.03509 173.5934 11.71707 179.2220 5.394913 -5.628632      12.89941 
1 1 1 -19 13 18 o 202.8230 5.882915 566.6519       26.69249 537.3489      55.86914 575.3191       30.38465 199.1174 10.42028 206.5286 5.463748 -7.411194      11.76583 
1 1 1 -19 13 19 o 82.92226 12.72443 101.2865       21.44670 86.38860      53.22372 104.1745       23.43337 78.16342 23.43356 87.68110 9.925338 -9.517677      25.44885 
1 1 1 -19 13 20 o 222.3684 7.797488 672.4572       46.63946 679.5532      64.69485 664.7784       67.29848 223.6444 10.74307 221.0924 11.30441 2.552017       15.59498 
1 1 1 -19 13 21 o 246.2932 6.440516 873.5646       36.72424 720.0881      70.29273 931.1832       43.06961 230.0100 11.34959 262.5764 6.091607 -32.56639      12.88103 
1 1 1 -19 13 22 o 124.6963 13.97358 303.9618       33.79270 98.96999      67.09023 373.6489       39.11716 83.36794 26.54205 166.0247 8.750064 -82.65677      27.94717 
1 1 1 -19 13 23 o 100.4442 15.00564 92.63024       38.85476 293.6953      82.23131 34.83717       44.08662 144.3546 21.15550 56.53376 21.28667 87.82080       30.01129 
1 1 1 -19 13 24 o 35.89216 12.62421 -76.12281      37.05610 -155.7253     86.51604 -58.23850      41.00806 40.41178 20.11687 31.37254 15.25761 9.039234       25.24842 
1 1 1 -19 13 25 o 378.4176 10.85419 1942.501       110.5993 0.000000      0.000000 1942.501       110.5993 ?        ?        378.4176 10.85419 ?              ?        
1 1 1 -19 13 26 o 58.59370 15.65514 43.37220       33.28226 -9.498480     71.73877 57.87308       37.57022 54.33725 24.21671 62.85014 19.84654 -8.512897      31.31029 
1 1 1 -19 13 27 o 36.85315 12.51278 -42.80584      28.50615 -30.09620     59.70615 -46.55838      32.44260 45.04280 20.84224 28.66350 13.85207 16.37930       25.02556 
1 1 1 -19 13 28 o 40.93237 13.06584 -4.108932      28.06310 -56.14324     62.39828 9.084524       31.42006 41.61813 19.87476 40.24660 16.96641 1.371529       26.13169 
1 1 1 -19 13 29 o 78.54497 15.48374 112.3152       31.99690 85.48497      75.20567 118.2453       35.35655 68.28014 27.21000 88.80981 14.78515 -20.52967      30.96748 
1 1 1 -19 13 30 o 50.00634 15.54000 25.31710       31.64517 55.86359      77.72060 19.24659       34.64720 57.45992 25.42824 42.55276 17.87096 14.90715       31.08001 
1 1 1 -19 13 31 o 49.53522 15.31344 43.35583       34.73790 33.10335      86.31657 45.33729       37.94655 49.84916 23.68400 49.22128 19.41838 0.6278839      30.62687 
1 1 1 -19 15 1  o 240.3046 3.732614 778.9249       24.14801 761.5336      33.79453 797.0685       34.51785 237.5644 5.283012 243.0448 5.274412 -5.480331      7.465228 
1 1 1 -19 15 2  o 112.9678 4.594676 180.4422       13.33240 132.8242      20.24255 216.9246       17.71830 99.12308 7.584152 126.8125 5.188916 -27.68938      9.189353 
1 1 1 -19 15 3  f 111.3412 4.859646 165.3251       14.00238 174.8001      23.57654 160.1617       17.40442 113.7334 7.698547 108.9490 5.932706 4.784332       9.719292 
1 1 1 -19 15 4  o 291.0324 3.913854 1139.321       30.59394 1100.799      41.55133 1184.931       45.21297 285.6874 5.401450 296.3774 5.665452 -10.68994      7.827708 
1 1 1 -19 15 5  o 178.1721 3.387764 420.5742       15.86306 396.5778      20.08972 460.3110       25.85212 171.5534 4.349017 184.7909 5.195559 -13.23746      6.775528 
1 1 1 -19 15 6  o 330.3568 4.168743 1471.274       37.08073 1471.278      52.71531 1471.271       52.16909 330.3549 5.926149 330.3587 5.864676 -0.3784180E-02 8.337486 
1 1 1 -19 15 7  o 530.0126 5.947431 3789.289       84.81915 3854.470      122.6701 3729.579       117.4077 534.3582 8.525557 525.6669 8.294734 8.691345       11.89486 
1 1 1 -19 15 8  o 289.8924 4.026971 1113.684       31.04382 1019.473      40.24880 1252.035       48.77468 275.0287 5.434900 304.7562 5.943723 -29.72754      8.053942 
1 1 1 -19 15 9  o 377.9409 4.646954 1925.672       47.28434 1899.308      66.20949 1953.115       67.55100 375.3032 6.551708 380.5786 6.591801 -5.275360      9.293907 
1 1 1 -19 15 10 o 421.5357 4.931257 2380.630       55.75422 2221.373      74.90957 2578.421       83.48190 405.8479 6.854734 437.2235 7.090966 -31.37564      9.862514 
1 1 1 -19 15 11 o 548.2057 7.701972 4062.373       104.8303 4066.764      189.3026 4060.430       125.8968 547.9628 12.82987 548.4485 8.525022 -0.4857788     15.40394 
1 1 1 -19 15 12 o 124.6273 10.16277 209.3434       32.58633 215.2330      55.22055 206.1967       40.36353 125.8305 16.29789 123.4241 12.14523 2.406380       20.32554 
1 1 1 -19 15 13 o 39.05331 12.13595 2.100285       16.53762 -11.80996     49.90422 3.816325       17.52805 46.86406 20.57150 31.24257 12.88171 15.62150       24.27190 
1 1 1 -19 15 14 o 131.0188 8.232857 239.3653       18.68523 223.8719      53.53556 241.5145       19.93913 128.2021 15.50829 133.8355 5.532880 -5.633453      16.46571 
1 1 1 -19 15 15 o 165.2385 7.116367 398.7079       22.60717 329.4139      55.40586 412.5488       24.76225 155.5776 13.22590 174.8994 5.257974 -19.32179      14.23273 
1 1 1 -19 15 16 o 431.4388 6.476529 2495.008       67.99915 2576.514      128.0608 2463.004       80.24660 435.8198 10.91254 427.0579 6.978411 8.761902       12.95306 
1 1 1 -19 15 17 o 283.5106 5.874434 1109.301       39.45471 1041.627      75.71538 1134.527       46.22695 277.1050 10.14744 289.9162 5.921605 -12.81122      11.74887 
1 1 1 -19 15 18 o 116.8999 9.824790 168.9834       24.06312 216.7694      58.90651 159.4122       26.36304 125.3449 17.45313 108.4549 9.027407 16.88998       19.64958 
1 1 1 -19 15 19 o 158.0040 8.351438 323.5377       27.21579 366.5649      66.18530 314.7816       29.85686 163.4428 15.03877 152.5653 7.267835 10.87753       16.70288 
1 1 1 -19 15 20 o 53.71527 15.59747 15.94821       26.75149 32.60362      70.78918 13.17335       28.89414 65.13055 26.24431 42.30000 16.86300 22.83054       31.19494 
1 1 1 -19 15 21 o 126.3382 13.42651 184.8816       36.13667 292.3935      89.78881 164.1013       39.47480 143.3112 23.26798 109.3652 13.40472 33.94605       26.85303 
1 1 1 -19 15 22 o 46.36517 15.60242 -35.64454      37.19617 -89.48450     99.95672 -26.99069      40.07416 55.14327 25.98485 37.58707 17.27801 17.55620       31.20484 
1 1 1 -19 15 23 o 47.90768 16.75387 -259.0629      81.47455 -407.9903     130.9761 -165.0599      104.0580 45.28931 22.84732 50.52606 24.51059 -5.236755      33.50774 
1 1 1 -19 15 24 o 62.51257 18.36252 45.13606       44.68068 7.325562      107.0339 53.11538       49.16975 64.02113 28.96646 61.00401 22.57593 3.017113       36.72504 
1 1 1 -19 15 25 o 78.60243 16.85835 81.21510       33.94753 142.7461      71.88945 63.55661       38.51190 92.44690 27.11579 64.75797 20.03870 27.68893       33.71669 
1 1 1 -19 15 26 o 57.23992 15.85420 38.38971       28.32971 34.74574      74.37495 39.00813       30.63948 61.96013 26.11090 52.51971 17.99012 9.440414       31.70841 
1 1 1 -19 15 27 o 70.96664 16.71679 80.56858       31.48223 85.92377      80.85014 79.61149       34.17995 71.01141 28.23964 70.92188 17.89768 0.8952332E-01  33.43358 
1 1 1 -19 15 28 o 57.30085 16.95791 44.26728       33.12503 27.13639      107.2127 46.07517       34.82910 60.60485 28.00301 53.99686 19.13413 6.607994       33.91582 
1 1 1 -19 15 29 o 38.74708 13.65121 -36.54867      34.14015 -108.3124     109.5751 -28.83322      35.92854 45.58539 22.68367 31.90877 15.19452 13.67662       27.30242 
1 1 1 -19 15 30 o 49.08646 15.61391 38.52819       35.99063 42.67718      97.64357 37.87588       38.71662 51.39188 24.62814 46.78104 19.19979 4.610840       31.22783 
1 1 1 -19 17 1  o 72.60914 26.59509 -74.34533      18.24374 -85.15851     18.93907 64.85760       67.95260 ?        ?        72.60914 26.59509 ?              ?        
1 1 1 -19 17 2  o 266.2761 6.036093 900.1384       32.44321 871.4571      35.34161 1053.797       81.80228 254.1390 5.164539 278.4131 10.91170 -24.27406      12.07219 
1 1 1 -19 17 3  o 301.9769 5.703963 1222.331       39.90662 1210.746      45.84218 1258.580       81.08965 299.4702 5.684971 304.4837 9.890493 -5.013580      11.40793 
1 1 1 -19 17 4  o 120.7679 3.954296 201.5899       12.47440 221.1240      16.30467 174.0141       19.37218 128.0374 4.729245 113.4984 6.338774 14.53902       7.908591 
1 1 1 -19 17 5  o 230.7043 6.069095 709.6267       29.24533 738.6635      68.67314 703.1940       32.32286 233.1212 10.94011 228.2875 5.258287 4.833694       12.13819 
1 1 1 -19 17 6  o 66.85217 13.28304 54.92536       17.29296 70.13791      54.48453 53.22121       18.23586 72.09267 23.98989 61.61167 11.41236 10.48101       26.56608 
1 1 1 -19 17 7  o 223.4779 5.999855 605.5592       27.25598 788.0231      69.72138 572.6442       29.61249 240.9307 10.74708 206.0251 5.337912 34.90562       11.99971 
1 1 1 -19 17 8  o 57.10492 14.39256 32.84123       22.71081 55.67051      53.65211 27.85771       25.06738 67.01229 23.74800 47.19755 16.26699 19.81474       28.78511 
1 1 1 -19 17 9  o 48.19682 13.81500 13.96005       19.47357 27.11749      56.28851 12.17115       20.75523 59.07311 23.54055 37.32053 14.46582 21.75259       27.63001 
1 1 1 -19 17 10 o 90.02306 12.67366 134.2217       16.55890 86.91645      57.65370 138.4748       17.28727 78.76679 24.54187 101.2793 6.339021 -22.51254      25.34732 
1 1 1 -19 17 11 o 259.9840 5.962125 923.8428       31.27591 900.3274      75.50264 928.7135       34.36274 257.5411 10.88760 262.4270 4.862906 -4.885925      11.92425 
1 1 1 -19 17 12 o 117.4263 11.65866 234.1688       18.21220 146.6950      60.07758 243.0209       19.11150 100.6369 22.70974 134.2156 5.288206 -33.57874      23.31732 
1 1 1 -19 17 13 o 209.3702 6.317298 554.1281       27.19881 657.0511      67.17505 533.9464       29.74617 219.8295 11.34850 198.9108 5.553786 20.91869       12.63460 
1 1 1 -19 17 14 o 303.9003 5.770408 1235.435       38.47898 1275.525      84.49371 1224.945       43.22103 306.5095 10.23757 301.2910 5.327526 5.218445       11.54082 
1 1 1 -19 17 15 o 83.20914 14.51423 81.01286       34.48116 179.7254      58.83530 29.37064       42.55536 112.0670 20.24236 54.35130 20.80621 57.71567       29.02846 
1 1 1 -19 17 16 o 42.71353 13.29077 2.362319       22.10204 -25.35118     60.24319 6.672778       23.75878 48.68806 21.90720 36.73900 15.05498 11.94906       26.58153 
1 1 1 -19 17 17 o 256.4927 6.324696 869.4348       34.43941 928.2247      79.65157 855.9169       38.19414 261.1798 11.32586 251.8056 5.633108 9.374207       12.64939 
1 1 1 -19 17 18 o 330.5268 7.086703 1460.218       56.52930 1544.368      108.4683 1428.839       66.23550 336.2308 11.98069 324.8228 7.572879 11.40808       14.17341 
1 1 1 -19 17 19 o 177.3318 11.87693 475.8699       51.21800 313.3127      82.91923 576.1527       65.12762 149.2753 20.62927 205.3884 11.77622 -56.11305      23.75387 
1 1 1 -19 17 20 o 70.24030 17.17236 69.79228       33.82653 39.08740      87.99479 75.11648       36.64210 69.22804 28.73006 71.25255 18.81869 -2.024506      34.34471 
1 1 1 -19 17 21 o 45.19947 22.76903 -396.8502      74.17023 -385.5862     127.5132 -402.6100      91.18241 45.19947 22.76903 ?        ?        ?              ?        
1 1 1 -19 17 22 o 34.83109 17.17880 -177.4356      52.82391 -476.6746     129.6405 -117.8631      57.84351 ?        ?        34.83109 17.17880 ?              ?        
1 1 1 -19 17 23 o 78.16025 20.00176 68.65115       38.75982 139.9359      112.1187 58.97551       41.30663 92.62476 34.12589 63.69574 20.87354 28.92902       40.00352 
1 1 1 -19 17 24 o 48.71233 15.84596 -1.608860      34.54382 -54.01583     100.3341 5.438516       36.79320 55.18406 26.01314 42.24061 18.10234 12.94344       31.69193 
1 1 1 -19 17 25 o 100.1614 15.82436 197.2886       32.86015 101.3832      87.88228 212.8764       35.43008 77.05241 29.79439 123.2704 10.67407 -46.21794      31.64872 
1 1 1 -19 17 26 o 58.86339 17.56798 30.73534       32.34239 94.56396      96.02818 22.56855       34.34922 72.19502 29.99137 45.53175 18.30448 26.66327       35.13597 
1 1 1 -19 17 27 o 40.70605 14.21350 -32.68121      32.34842 -48.17148     99.06116 -30.83224      34.22462 50.14288 24.22577 31.26921 14.87302 18.87367       28.42701 
1 1 1 -19 17 28 o 71.85155 14.75199 125.1526       35.59278 -35.65778     136.1949 136.9405       36.87425 51.34708 25.50733 92.35601 14.82773 -41.00893      29.50399 
1 1 1 -19 19 1  o 50.26019 17.01295 -101.1499      65.36501 -92.48895     94.74314 -109.0172      90.29722 51.85168 24.68638 48.66870 23.41674 3.182980       34.02589 
1 1 1 -19 19 2  o 292.3427 8.850452 1172.749       69.48041 1280.368      102.7448 1082.064       94.31572 304.6288 12.52580 280.0566 12.50705 24.57214       17.70090 
1 1 1 -19 19 3  o 114.9824 18.58715 198.2686       56.18953 182.6499      83.45373 211.2208       75.99671 110.1348 28.06102 119.8301 24.38253 -9.695351      37.17430 
1 1 1 -19 19 4  o 196.7824 11.00655 534.6630       58.21198 492.7652      81.47869 578.3461       83.19653 188.7593 16.03069 204.8056 15.08621 -16.04623      22.01311 
1 1 1 -19 19 5  o 79.26764 14.01533 107.5430       15.61320 40.61709      75.72522 110.5144       15.95604 68.13599 27.25341 90.39928 6.555061 -22.26330      28.03065 
1 1 1 -19 19 6  o 193.9415 8.206527 478.3796       31.06058 564.9097      81.68974 463.7555       33.58287 202.6870 14.96781 185.1959 6.734464 17.49104       16.41305 
1 1 1 -19 19 7  o 437.6865 7.202048 2592.800       76.39281 2624.801      144.0779 2580.285       90.10065 438.7074 12.19661 436.6656 7.662944 2.041840       14.40410 
1 1 1 -19 19 8  o 95.93584 13.42732 126.7528       17.78848 133.2786      68.18571 126.2763       18.42658 95.22823 25.90430 96.64344 7.080908 -1.415215      26.85465 
1 1 1 -19 19 9  o 363.9539 6.311480 1849.977       48.63762 1706.220      108.7752 1885.902       54.37624 354.0908 11.40859 373.8170 5.402150 -19.72623      12.62296 
1 1 1 -19 19 10 o 224.7497 7.741519 687.0138       39.57660 686.4125      81.90689 687.1969       45.20377 224.0919 13.57409 225.4075 7.447713 -1.315552      15.48304 
1 1 1 -19 19 11 o 193.5931 7.558712 501.1624       23.96359 520.0003      75.06727 499.0248       25.28664 194.8555 14.30720 192.3307 4.882689 2.524780       15.11742 
1 1 1 -19 19 12 o 517.2555 7.448120 3610.766       85.40028 3684.597      184.2233 3590.558       96.38197 519.1837 13.17772 515.3273 6.945912 3.856323       14.89624 
1 1 1 -19 19 13 o 294.1212 6.702348 1136.744       38.32709 1230.936      99.32433 1120.264       41.54474 300.1837 12.28811 288.0586 5.356140 12.12518       13.40470 
1 1 1 -19 19 14 o 210.0497 8.151360 617.5720       31.43669 581.1715      84.09480 623.4850       33.89403 205.2889 15.21319 214.8104 5.859822 -9.521561      16.30272 
1 1 1 -19 19 15 o 90.08237 15.30183 104.9642       26.91897 132.3554      76.07035 101.0432       28.78127 94.23230 27.96187 85.93243 12.43854 8.299866       30.60365 
1 1 1 -19 19 16 o 294.7844 7.075200 1147.307       42.71827 1235.565      103.5991 1129.227       46.89013 300.4833 12.80420 289.0855 6.023816 11.39783       14.15040 
1 1 1 -19 19 17 o 100.0625 16.81681 148.0415       33.03628 161.9575      92.03541 145.9833       35.39515 97.88925 31.07899 102.2357 12.85753 -4.346481      33.63361 
1 1 1 -19 19 18 o 80.64036 20.01591 84.93072       46.07189 82.13688      106.9730 85.56696       51.04910 84.46511 32.81276 76.81561 22.93185 7.649506       40.03182 
1 1 1 -19 19 19 o 383.9482 14.38758 2010.595       148.7454 2010.595      148.7454 0.000000       0.000000 383.9482 14.38758 ?        ?        ?              ?        
1 1 1 -19 19 20 o 32.48798 15.68911 -93.47860      38.46187 -359.9720     103.4574 -50.73983      41.43139 ?        ?        32.48798 15.68911 ?              ?        
1 1 1 -19 19 21 o 105.8831 16.54695 139.1689       33.90582 236.4620      94.69736 124.8623       36.31322 117.8807 29.81398 93.88543 14.36426 23.99530       33.09389 
1 1 1 -19 19 22 o 108.5305 17.45592 215.8899       39.92502 150.6674      100.9886 227.9723       43.46602 90.15057 32.51233 126.9104 12.71947 -36.75986      34.91183 
1 1 1 -19 19 23 o 77.87454 19.33285 63.10287       43.15565 201.0203      98.40498 30.26123       48.01976 102.4078 32.08830 53.34126 21.57260 49.06656       38.66569 
1 1 1 -19 19 24 o 54.93900 16.59478 32.08785       31.41055 11.14728      100.9682 34.33160       33.05053 60.13580 27.56268 49.74221 18.48909 10.39359       33.18957 
1 1 1 -19 19 25 o 49.45720 15.45465 21.51538       34.32211 -66.41708     102.4511 32.63179       36.42706 50.08872 24.30353 48.82567 19.09772 1.263046       30.90929 
1 1 1 -19 19 26 o 43.13772 14.99487 -27.73754      34.71450 20.51399      101.3883 -34.14537      36.94772 54.65552 25.88046 31.61992 15.15210 23.03560       29.98974 
1 1 1 -19 19 27 o 47.95087 16.18379 11.79665       46.23210 85.24468      102.2805 -7.063296      51.82904 56.09492 26.38814 39.80682 18.74369 16.28810       32.36757 
1 1 1 -19 21 1  o 66.31371 19.50724 42.07224       57.61377 33.07628      84.92554 49.74261       78.41919 65.32237 27.73461 67.30505 27.43941 -1.982674      39.01448 
1 1 1 -19 21 2  o 388.9394 9.037393 2124.158       94.40005 2278.659      139.8044 1994.685       127.9814 401.6737 12.92600 376.2050 12.63394 25.46869       18.07479 
1 1 1 -19 21 3  o 64.16794 19.54142 19.02835       61.26452 26.60687      86.00948 11.22305       87.28688 65.38189 27.83921 62.95398 27.43075 2.427910       39.08283 
1 1 1 -19 21 4  o 163.6921 19.12173 386.9413       80.27207 284.1259      112.2377 494.6005       114.8511 138.7294 30.84459 188.6548 22.60914 -49.92538      38.24346 
1 1 1 -19 21 5  o 281.1101 16.59886 1081.870       125.6429 1081.870      125.6429 0.000000       0.000000 281.1101 16.59886 ?        ?        ?              ?        
1 1 1 -19 21 6  o 77.10597 14.96889 105.5466       25.41788 -34.23172     98.79453 115.4549       26.30334 62.12882 27.99524 92.08312 10.60834 -29.95430      29.93778 
1 1 1 -19 21 7  o 72.75922 16.08585 85.78825       27.98591 37.40275      93.73799 90.52312       29.32327 66.86925 28.78100 78.64919 14.37609 -11.77995      32.17170 
1 1 1 -19 21 8  o 37.89351 13.66689 -35.96081      18.47952 3.085530      85.64016 -37.86765      18.92537 55.73811 25.48719 20.04892 9.876172 35.68919       27.33379 
1 1 1 -19 21 9  o 79.97388 15.36362 104.1740       20.89805 105.2814      86.84750 104.1059       21.53069 73.78883 29.29222 86.15892 9.280562 -12.37009      30.72723 
1 1 1 -19 21 10 o 116.7799 15.74082 264.9785       25.26584 182.6411      89.30747 272.1419       26.34200 93.03052 30.70232 140.5293 6.961429 -47.49881      31.48164 
1 1 1 -19 21 11 o 106.0929 16.75735 131.0584       32.11435 308.3242      100.0778 110.7094       33.90754 126.7954 29.81372 85.39045 15.30941 41.40493       33.51471 
1 1 1 -19 21 12 o 193.6456 11.98776 568.5909       34.75832 502.1757      112.7276 575.5687       36.53861 181.6268 23.04978 205.6643 6.597960 -24.03751      23.97552 
1 1 1 -19 21 13 o 49.16990 24.19584 -157.9345      34.80162 -219.4217     112.6014 -151.4407      36.59324 49.16990 24.19584 ?        ?        ?              ?        
1 1 1 -19 21 14 o 175.0034 15.72097 319.3305       60.88805 834.9031      124.0279 155.6200       69.88960 246.4520 18.68975 103.5548 25.28416 142.8972       31.44194 
1 1 1 -19 21 15 o 365.2441 14.83497 1822.412       145.8994 1822.412      145.8994 0.000000       0.000000 365.2441 14.83497 ?        ?        ?              ?        
1 1 1 -19 21 16 o 189.2041 10.62001 446.2301       39.07346 627.6569      105.9770 417.6873       42.03484 204.4397 19.25142 173.9686 8.973362 30.47113       21.24002 
1 1 1 -19 21 17 f 74.89011 18.78011 61.61596       33.55542 136.6929      98.57973 51.77726       35.68644 90.16863 32.16518 59.61158 19.39514 30.55706       37.56022 
1 1 1 -19 21 18 f 59.07412 16.73172 40.11193       32.53080 12.48284      89.28191 44.34143       34.93210 62.19453 27.40207 55.95370 19.20751 6.240829       33.46345 
1 1 1 -19 21 19 o 77.29852 17.37726 81.10588       30.18654 126.7986      86.92330 74.83951       32.18998 84.58433 30.20046 70.01272 17.19912 14.57161       34.75453 
1 1 1 -19 21 20 o 74.24913 18.78457 83.25662       44.20802 101.4972      83.24961 76.09276       52.17191 78.75831 29.33011 69.73996 23.47732 9.018349       37.56913 
1 1 1 -19 21 21 o 48.63966 15.21017 -1.549017      41.72321 -89.54372     78.69487 32.85835       49.20892 43.76548 21.25032 53.51384 21.76744 -9.748363      30.42035 
1 1 1 -19 21 22 o 55.25009 17.03280 27.29950       45.46922 4.835534      86.17562 35.96622       53.52647 55.93009 25.57178 54.57010 22.50665 1.359989       34.06560 
1 1 1 -19 21 23 o 47.53476 15.88352 -18.45635      45.96222 -0.7543073    91.99802 -24.34446      53.05845 54.15644 25.33166 40.91308 19.16902 13.24335       31.76703 
1 1 1 -19 21 24 o 40.99266 14.27198 -54.69069      45.40076 -54.46684     94.46735 -54.75792      51.77171 46.72570 22.81971 35.25961 17.14697 11.46609       28.54396 
1 1 1 -19 21 25 o 41.57365 13.98287 -13.15664      44.09584 -118.9336     91.40479 18.92833       50.34128 39.12901 19.65341 44.01830 19.89537 -4.889282      27.96574 
1 1 1 -19 23 1  o 44.00470 14.80413 -51.53947      47.97356 -69.49174     73.10278 -37.95994      63.57944 43.77535 21.06415 44.23406 20.80746 -0.4587097     29.60826 
1 1 1 -19 23 2  o 71.66953 19.13896 82.83277       50.31170 80.24288      76.80829 84.77911       66.58481 71.37111 27.78245 71.96794 26.33124 -0.5968323     38.27792 
1 1 1 -19 23 3  o 166.6080 12.42757 413.5468       54.68902 365.3809      82.08065 451.9999       73.33936 156.1170 19.52573 177.0990 15.37934 -20.98199      24.85515 
1 1 1 -19 23 4  o 67.65147 19.19063 61.04945       53.28901 64.20504      74.78932 57.79532       75.94810 68.31571 27.16278 66.98722 27.11651 1.328491       38.38127 
1 1 1 -19 23 5  o 107.8971 14.35753 235.5913       19.71778 115.2904      75.06994 244.5059       20.43529 81.72990 28.15154 134.0643 5.660887 -52.33436      28.71506 
1 1 1 -19 23 6  o 86.13943 13.63864 104.2403       15.22509 123.6577      67.05492 103.1848       15.63341 85.34098 26.44714 86.93788 6.678227 -1.596901      27.27728 
1 1 1 -19 23 7  o 156.3919 10.83160 394.5462       18.88502 300.2809      80.59293 400.0229       19.42587 140.8291 21.25305 171.9547 4.195493 -31.12564      21.66320 
1 1 1 -19 23 8  f 53.49105 12.43790 45.61229       16.32705 -77.49094     78.98742 51.10686       16.68745 47.05329 22.44003 59.92880 10.73548 -12.87551      24.87580 
1 1 1 -19 23 9  o 85.20224 15.39835 100.2813       21.13706 118.4468      81.08950 98.95705       21.89394 85.57674 29.26705 84.82775 9.585233 0.7489853      30.79670 
1 1 1 -19 23 10 o 99.42424 15.41283 155.7795       23.13022 139.9004      83.60488 157.0957       24.06972 91.70065 29.67528 107.1478 8.342652 -15.44720      30.82567 
1 1 1 -19 23 11 o 96.24265 16.06957 135.7985       25.63041 150.4052      88.35409 134.4564       26.78203 93.80253 30.51782 98.68277 10.07903 -4.880241      32.13914 
1 1 1 -19 23 12 o 46.26007 14.26478 11.59112       27.28427 -90.79192     85.28661 23.26408       28.79767 47.41040 22.79784 45.10975 17.15210 2.300648       28.52956 
1 1 1 -19 23 13 o 108.8546 15.50692 180.6908       29.12144 193.7639      85.71500 178.9849       30.96323 104.2532 29.31099 113.4560 10.13527 -9.202797      31.01383 
1 1 1 -19 23 14 o 44.18781 14.75708 -11.99746      27.75577 -31.64472     88.56676 -9.857716      29.22813 54.44688 25.26093 33.92873 15.26340 20.51816       29.51417 
1 1 1 -19 23 15 o 37.46896 13.10018 -44.38133      28.85599 -102.9048     84.90092 -36.73791      30.68254 45.77543 22.19080 29.16249 13.92939 16.61294       26.20037 
1 1 1 -19 23 16 o 60.94181 18.10080 25.48443       45.60176 70.89366      86.72427 8.131123       53.61173 71.83930 29.01294 50.04432 21.65190 21.79498       36.20160 
1 1 1 -19 23 17 o 64.72405 16.88330 62.71195       43.87575 -13.63316     77.78043 98.34364       53.13711 52.92395 24.23305 76.52415 23.51472 -23.60021      33.76659 
1 1 1 -19 23 18 o 70.51537 17.73771 88.28674       43.38972 49.89256      82.01038 103.2120       51.13249 63.40992 27.09636 77.62082 22.89743 -14.21090      35.47541 
1 1 1 -19 23 19 f 92.11649 18.48018 150.5020       44.57082 179.2179      85.16315 139.6695       52.30624 93.49801 29.91861 90.73497 21.70126 2.763039       36.96035 
1 1 1 -19 23 20 o 76.01724 19.07378 100.4464       44.84079 172.7526      85.91682 73.37769       52.56826 87.96755 30.12540 64.06693 23.40293 23.90062       38.14757 
1 1 1 -19 23 21 o 44.36702 14.75366 -14.56281      43.47629 -29.58377     75.67605 -7.162545      53.11697 45.90548 21.91254 42.82856 19.76164 3.076923       29.50732 
1 1 1 -19 23 22 o 41.50175 14.37000 -46.96050      43.94866 17.16352      85.06184 -70.31152      51.33072 50.22943 23.76114 32.77407 16.16773 17.45536       28.74000 
1 1 1 -19 23 23 o 46.98592 15.61867 21.51696       44.07440 33.25058      95.99055 18.38243       49.61340 50.43829 24.23660 43.53356 19.70683 6.904724       31.23735 
1 1 1 -19 25 1  o 53.85860 16.83664 42.92057       48.06438 39.50946      67.65005 46.39767       68.30125 53.19193 23.62248 54.52527 23.99726 -1.333340      33.67329 
1 1 1 -19 25 2  o 73.94034 17.53328 106.8578       48.42005 28.76299      69.30508 181.3257       67.67655 53.11617 23.72789 94.76450 25.81958 -41.64833      35.06656 
1 1 1 -19 25 3  o 143.5551 12.90942 328.4138       49.34858 397.4894      73.27968 271.0920       66.75465 158.6108 17.15803 128.4995 19.29287 30.11136       25.81885 
1 1 1 -19 25 4  o 84.30952 17.46289 132.1693       45.87581 193.4125      65.79986 74.24120       63.99420 103.6758 24.03804 64.94327 25.33738 38.73252       34.92578 
1 1 1 -19 25 5  f 37.73146 12.65497 -5.266353      17.00529 -7.604112     65.88232 -5.099485      17.60174 48.74849 22.31438 26.71443 11.94409 22.03406       25.30994 
1 1 1 -19 25 6  o 81.09144 13.46580 56.47713       13.23472 185.3573      69.97565 51.69587       13.47798 101.1633 25.65195 61.01956 8.202994 40.14376       26.93161 
1 1 1 -19 25 7  o 47.04105 10.98015 37.16378       14.64192 -90.34115     67.30176 43.49851       15.00123 39.40543 19.24825 54.67666 10.57165 -15.27123      21.96031 
1 1 1 -19 25 8  o 43.53848 14.06124 5.741179       16.35205 20.57807      76.25549 5.026042       16.74150 56.86245 25.17447 30.21451 12.53475 26.64795       28.12248 
1 1 1 -19 25 9  o 78.33147 15.08916 74.89932       18.97805 141.2132      76.26070 70.52137       19.59449 85.89667 28.37232 70.76627 10.28310 15.13039       30.17831 
1 1 1 -19 25 10 o 56.52855 15.72848 3.246022       22.14020 132.2593      76.42464 -8.573505      23.13216 83.16821 28.41290 29.88890 13.49989 53.27930       31.45695 
1 1 1 -19 25 11 o 108.7125 12.22317 154.0766       23.68856 224.5666      68.03457 144.3520       25.26978 115.7686 22.63622 101.6565 9.231730 14.11208       24.44633 
1 1 1 -19 25 12 f 111.9897 14.97505 210.8477       27.08086 193.6650      81.34212 212.9897       28.71920 100.2526 28.68271 123.7267 8.620360 -23.47412      29.95010 
1 1 1 -19 25 13 o 48.90611 15.51641 8.724206       34.65222 4.211694      80.95444 9.736474       38.34241 54.77771 24.94372 43.03451 18.46204 11.74321       31.03282 
1 1 1 -19 25 14 o 53.21172 16.57293 3.500676       36.30478 82.37917      84.00481 -14.61553      40.25858 68.47208 28.21257 37.95137 17.39823 30.52070       33.14585 
1 1 1 -19 25 15 f 42.89066 14.35780 -20.96669      36.77332 -38.74101     80.46458 -16.27427      41.34341 47.95009 22.80658 37.83124 17.44835 10.11885       28.71559 
1 1 1 -19 25 16 o 69.03117 17.28267 92.51138       39.63228 74.27259      79.77551 98.48789       45.66634 63.96538 27.00372 74.09697 21.57689 -10.13159      34.56535 
1 1 1 -19 25 17 f 46.33721 13.55243 25.97804       26.52839 23.94383      32.74652 29.86213       45.24918 43.95538 17.80129 48.71904 20.43985 -4.763664      27.10486 
1 1 1 -19 25 18 o 53.15463 14.14377 50.39352       27.75028 57.11346      33.93089 36.81922       48.22486 56.46338 18.93373 49.84589 21.01663 6.617496       28.28754 
1 1 1 -19 25 19 o 53.50243 15.39808 54.66999       42.39602 -52.57419     81.73928 94.13917       49.58760 41.96492 20.64355 65.03996 22.85273 -23.07504      30.79616 
1 1 1 -19 25 20 o 34.18880 11.38014 -15.37542      27.30304 1.048696      33.46616 -48.06580      47.21445 35.50831 16.11833 32.86929 16.06952 2.639015       22.76028 
1 1 1 -19 27 4  f 55.38400 16.46991 39.87471       51.95897 152.3418      70.92637 -90.39350      76.33334 73.26810 27.11446 37.49990 18.70394 35.76820       32.93981 
1 1 1 -19 27 5  o 38.59710 12.47044 11.22663       19.07548 -9.749587     69.67451 12.92631       19.83327 43.32506 20.77335 33.86914 13.80274 9.455921       24.94088 
1 1 1 -19 27 6  o 98.21899 13.71468 241.8887       22.88673 108.9765      79.91708 253.7632       23.88723 61.98224 26.62401 134.4557 6.597859 -72.47350      27.42936 
1 1 1 -19 27 7  o 86.39034 15.00050 112.3150       18.06952 200.6382      79.23241 107.4692       18.55858 85.93815 28.93220 86.84252 7.936497 -0.9043732     30.00101 
1 1 1 -19 27 8  f 52.75725 14.56638 39.67183       19.19732 74.21207      75.82609 37.30624       19.84382 57.84178 25.37470 47.67272 14.31232 10.16906       29.13276 
1 1 1 -19 27 9  o 49.87022 13.85952 38.84978       20.31705 28.03855      75.37077 39.69691       21.09803 50.74110 23.45724 48.99933 14.76831 1.741764       27.71904 
1 1 1 -19 27 10 o 67.07773 27.07612 117.3729       75.49012 117.3729      75.49012 0.000000       0.000000 67.07773 27.07612 ?        ?        ?              ?        
1 1 1 -19 27 11 o 47.98435 14.35397 35.16182       27.88958 4.828096      78.06474 39.59997       29.86024 47.79819 22.65534 48.17051 17.63184 -0.3723259     28.70795 
1 1 1 -19 27 12 o 60.09111 15.40229 78.25107       32.17936 51.21868      79.61268 83.52998       35.18134 53.24493 24.43027 66.93729 18.76391 -13.69236      30.80459 
1 1 1 -19 27 13 o 36.11375 12.63944 -38.59858      34.63193 -85.95538     87.47653 -29.79642      37.71334 40.52112 20.18059 31.70639 15.22386 8.814730       25.27889 
1 1 1 -19 27 14 o 34.15252 11.15226 -6.114713      23.90957 2.988464      29.86964 -22.35039      39.89043 34.68303 15.52933 33.62201 16.01035 1.061024       22.30452 
1 1 1 -19 27 15 o 33.85094 11.14282 -6.977173      23.53694 -0.7274117    28.04995 -21.84878      43.26925 32.84653 14.84802 34.85535 16.61885 -2.008820      22.28564 
1 1 1 -18 0  1  o 119.8820 6.819564 200.5943       21.26104 162.6446      30.46058 236.6471       29.68954 108.1516 10.70009 131.6123 8.457775 -0.000000      0.000000 
1 1 1 -18 0  2  o 202.6308 5.110744 555.8105       27.78664 556.3956      38.62154 555.1827       40.00760 202.7619 7.093602 202.4998 7.359321 -0.000000      0.000000 
1 1 1 -18 0  3  o 215.1277 5.273849 626.1401       30.43248 633.1190      44.19780 619.8484       41.96502 216.2469 7.611834 214.0086 7.301638 -0.000000      0.000000 
1 1 1 -18 0  4  o 159.9799 5.703719 346.1018       24.31266 303.3150      33.22954 395.3938       35.66622 149.2627 8.327050 170.6972 7.796787 -0.000000      0.000000 
1 1 1 -18 0  5  o 355.3399 6.007995 1702.552       57.30953 1651.882      78.31844 1760.958       84.08422 349.6748 8.328621 361.0049 8.661299 -0.000000      0.000000 
1 1 1 -18 0  6  o 86.21786 8.815940 106.6483       18.98753 107.6314      25.30538 105.3818       28.72296 87.16311 11.30692 85.27261 13.52911 -0.000000      0.000000 
1 1 1 -18 0  7  o 98.89859 7.160253 136.6763       18.26459 139.7589      24.04867 132.4747       28.07668 100.5885 9.047224 97.20872 11.10066 -0.000000      0.000000 
1 1 1 -18 0  8  o 434.4653 6.873322 2550.708       80.30927 2554.620      112.7842 2546.685       114.3815 434.8162 9.643661 434.1145 9.796428 -0.000000      0.000000 
1 1 1 -18 0  9  o 117.1287 6.035818 189.4029       18.61395 202.0197      25.24836 174.3807       27.55018 121.6744 7.779302 112.5831 9.230755 -0.000000      0.000000 
1 1 1 -18 0  10 o 67.09402 11.00657 70.02951       17.18998 54.04838      23.54380 88.27552       25.15689 56.45814 17.65437 77.72991 13.14919 -0.000000      0.000000 
1 1 1 -18 0  11 o 379.7310 6.175550 1946.610       63.02795 1984.970      91.11237 1911.408       87.28098 383.3058 8.838331 376.1560 8.627488 -0.000000      0.000000 
1 1 1 -18 0  12 o 195.3130 5.106229 517.0658       26.65656 508.1238      39.36617 524.6378       36.22551 193.6927 7.574212 196.9333 6.850227 -0.000000      0.000000 
1 1 1 -18 0  13 o 454.2072 7.277040 2767.618       88.33750 2976.562      134.2898 2608.239       117.2858 469.1575 10.64255 439.2570 9.927603 -0.000000      0.000000 
1 1 1 -18 0  14 o 373.8279 6.343138 1874.361       63.31859 2007.895      96.59161 1773.740       83.84679 385.3730 9.320709 362.2827 8.606158 -0.000000      0.000000 
1 1 1 -18 0  15 o 28.48753 12.89700 0.6111078      22.37475 -7.275757     30.79621 9.428880       32.56300 25.70391 17.01122 31.27114 19.38939 -0.000000      0.000000 
1 1 1 -18 0  16 o 80.20399 12.11035 87.55498       21.79280 58.25249      26.36605 150.7422       38.71753 58.03119 19.02942 102.3768 14.98411 -0.000000      0.000000 
1 1 1 -18 0  17 o 219.9779 5.373829 643.8793       30.26236 619.4116      37.19635 691.7839       52.04661 214.0482 6.467011 225.9076 8.584285 -0.000000      0.000000 
1 1 1 -18 0  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  20 o 816.9896 12.43387 8987.195       271.5303 8471.234      360.5594 9663.189       412.7052 790.2961 16.96115 843.6830 18.18582 -0.000000      0.000000 
1 1 1 -18 0  21 o 344.4840 5.893872 1593.386       54.42676 1723.677      80.96848 1485.986       73.51268 357.2675 8.427238 331.7005 8.242122 -0.000000      0.000000 
1 1 1 -18 0  22 o 24.87946 11.59487 -6.131714      19.88438 -1.681034     28.86298 -10.15231      27.43299 26.35493 17.09552 23.40399 15.66867 -0.000000      0.000000 
1 1 1 -18 0  23 o 40.10995 15.07813 31.38853       22.01777 30.88040      31.59497 31.86827       30.69997 39.91683 21.40054 40.30309 21.24656 -0.000000      0.000000 
1 1 1 -18 0  24 o 356.2567 6.184542 1702.129       58.85160 1830.156      89.64265 1605.150       78.02000 367.9036 9.061347 344.6098 8.419395 -0.000000      0.000000 
1 1 1 -18 0  25 f 343.1351 6.176203 1590.098       56.90730 1481.761      78.84879 1707.882       82.21485 330.9090 8.863558 355.3611 8.603445 -0.000000      0.000000 
1 1 1 -18 0  26 o 26.34379 12.49519 -14.70097      25.33291 -35.19099     40.45129 -1.479321      32.49406 24.75634 17.20386 27.93125 18.12586 -0.000000      0.000000 
1 1 1 -18 0  27 o 220.9659 7.129969 661.3960       41.44542 683.2666      65.60137 646.8677       53.46759 223.7833 10.94657 218.1486 9.138844 -0.000000      0.000000 
1 1 1 -18 0  28 o 37.13907 17.04100 -47.27705      41.16969 61.01419      68.54972 -108.3756      51.49020 52.94856 30.33902 21.32958 15.52825 -0.000000      0.000000 
1 1 1 -18 0  29 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  30 o 27.20144 13.89513 -86.28636      41.49527 -60.92355     75.25646 -97.36571      49.73956 32.87703 22.98530 21.52584 15.61968 -0.000000      0.000000 
1 1 1 -18 0  31 o 46.47322 19.10778 15.91031       38.99277 95.26231      71.18755 -18.10205      46.60618 63.70165 32.67055 29.24480 19.82585 -0.000000      0.000000 
1 1 1 -18 0  32 o 46.79514 19.04166 48.32328       41.29152 14.14019      66.76921 69.49251       52.54399 39.73613 25.85982 53.85414 27.95727 -0.000000      0.000000 
1 1 1 -18 0  33 o 35.93157 23.22982 17.27356       52.69525 0.000000      0.000000 17.27356       52.69525 35.93157 23.22982 35.93157 23.22982 -0.000000      0.000000 
1 1 1 -18 0  34 o 41.21861 26.01638 45.52425       61.43676 0.000000      0.000000 45.52425       61.43676 41.21861 26.01638 41.21861 26.01638 -0.000000      0.000000 
1 1 1 -18 2  1  o 229.7085 3.611205 711.0331       22.31811 726.6352      32.34949 696.8618       30.83043 232.1055 5.176052 227.3116 5.037031 4.793930       7.222409 
1 1 1 -18 2  2  o 42.58609 9.732223 23.71546       12.81073 28.42960      18.39492 19.27573       17.85150 45.55225 13.80342 39.61993 13.72335 5.932323       19.46445 
1 1 1 -18 2  3  o 96.68851 5.531045 127.2954       14.26484 108.0126      20.27396 146.2008       20.07459 89.35254 8.426521 104.0245 7.166840 -14.67194      11.06209 
1 1 1 -18 2  4  o 281.1554 3.748728 1065.877       28.37505 1060.580      39.71307 1071.402       40.55700 280.4454 5.258982 281.8653 5.343685 -1.419891      7.497457 
1 1 1 -18 2  5  o 180.3121 3.624168 436.9706       17.55708 419.1359      23.88316 457.9412       25.89795 176.3258 5.030285 184.2984 5.218678 -7.972626      7.248335 
1 1 1 -18 2  6  o 200.2916 3.534863 539.7119       19.04353 517.9909      26.19796 564.0486       27.73058 196.0287 4.963231 204.5546 5.034617 -8.525864      7.069726 
1 1 1 -18 2  7  f 114.3528 4.476487 176.3288       13.77822 169.4116      19.29367 183.5279       19.68286 112.0628 6.393962 116.6428 6.266816 -4.580017      8.952973 
1 1 1 -18 2  8  o 182.7403 3.344117 449.5591       16.43135 440.9276      22.55052 459.3286       23.99121 180.8766 4.630104 184.6040 4.826448 -3.727356      6.688233 
1 1 1 -18 2  9  o 82.94707 5.414152 93.06292       12.06480 99.73448      16.99616 86.28664       17.12903 85.95846 7.343091 79.93567 7.958088 6.022789       10.82830 
1 1 1 -18 2  10 o 307.0776 3.772446 1270.868       31.18709 1239.667      43.67433 1303.332       44.54911 303.2320 5.348941 310.9232 5.321113 -7.691223      7.544893 
1 1 1 -18 2  11 o 245.3806 3.467881 811.3084       22.90677 784.5737      32.08757 839.0930       32.71157 241.2577 4.939378 249.5035 4.869018 -8.245804      6.935761 
1 1 1 -18 2  12 o 181.9277 3.670237 445.8875       17.96361 420.1880      25.07145 472.9990       25.75094 176.5407 5.274134 187.3148 5.105493 -10.77408      7.340474 
1 1 1 -18 2  13 o 168.3106 3.941933 380.4174       17.82476 357.9816      24.23923 406.8365       26.30310 162.9319 5.524962 173.6893 5.624067 -10.75742      7.883866 
1 1 1 -18 2  14 o 297.1245 3.977079 1191.008       31.81379 1210.387      44.86562 1171.410       45.11843 299.5620 5.562161 294.6871 5.686035 4.874908       7.954158 
1 1 1 -18 2  15 o 259.3679 3.852422 908.4053       26.61720 913.5579      35.21813 901.5414       40.64787 260.2657 5.025348 258.4702 5.840419 1.795502       7.704844 
1 1 1 -18 2  16 o 213.5925 5.696806 615.4290       32.76429 0.000000      0.000000 615.4290       32.76429 ?        ?        213.5925 5.696806 ?              ?        
1 1 1 -18 2  17 o 256.7112 5.512290 889.0256       38.10309 0.000000      0.000000 889.0256       38.10309 ?        ?        256.7112 5.512290 ?              ?        
1 1 1 -18 2  18 o 214.8065 3.651487 621.9178       21.11596 614.9324      29.50507 629.2522       30.23319 213.5722 5.130606 216.0408 5.197145 -2.468597      7.302974 
1 1 1 -18 2  19 o 172.3194 5.493525 400.3157       25.48993 0.000000      0.000000 400.3157       25.48993 ?        ?        172.3194 5.493525 ?              ?        
1 1 1 -18 2  20 o 465.0566 7.279494 2918.346       91.15708 0.000000      0.000000 2918.346       91.15708 ?        ?        465.0566 7.279494 ?              ?        
1 1 1 -18 2  21 o 248.8666 3.768201 835.9114       25.14817 820.9702      37.10445 848.6067       34.20232 246.7939 5.583523 250.9394 5.061780 -4.145554      7.536401 
1 1 1 -18 2  22 o 223.5979 3.690753 670.8239       21.94800 691.9445      34.03317 655.7856       28.71772 226.5832 5.578165 220.6127 4.834327 5.970459       7.381506 
1 1 1 -18 2  23 o 200.4431 3.828589 542.3499       20.52890 533.8064      30.71531 549.2476       27.59863 199.0012 5.732126 201.8849 5.076920 -2.883682      7.657178 
1 1 1 -18 2  24 o 279.3169 3.950629 1052.610       29.68693 1047.999      42.84131 1056.871       41.17554 278.7163 5.708435 279.9175 5.462933 -1.201202      7.901258 
1 1 1 -18 2  25 o 51.74035 10.47604 35.90084       17.13498 10.14955      24.86140 59.20192       23.64907 38.86458 15.59080 64.61611 13.99702 -25.75153      20.95207 
1 1 1 -18 2  26 o 67.00021 10.33876 61.75076       18.83249 91.37093      27.98142 37.22300       25.46272 81.83313 12.69864 52.16729 16.31884 29.66584       20.67752 
1 1 1 -18 2  27 o 159.0297 6.325533 342.3218       27.04462 364.6395      39.57411 322.7657       37.04480 163.8745 8.968431 154.1849 8.922819 9.689575       12.65107 
1 1 1 -18 2  28 o 33.61227 11.36302 -49.45005      29.27917 -18.78592     42.61279 -76.87335      40.29810 38.38961 17.70879 28.83492 14.24332 9.554688       22.72605 
1 1 1 -18 2  29 o 75.87769 16.45457 83.91925       36.84395 92.06676      53.37228 76.50199       50.92430 78.92603 23.42196 72.82935 23.11760 6.096680       32.90914 
1 1 1 -18 2  30 o 46.60794 14.14090 8.054527       31.43898 11.39465      48.58966 5.649212       41.23338 48.83575 20.86238 44.38012 19.09507 4.455635       28.28181 
1 1 1 -18 2  31 o 71.72397 15.20148 83.07958       31.36668 79.84814      50.24023 85.14378       40.15410 70.19192 23.02123 73.25602 19.85858 -3.064102      30.40296 
1 1 1 -18 2  32 o 48.18222 14.18741 23.15582       30.84715 5.221412      49.75499 34.35351       39.31493 45.79341 20.30143 50.57103 19.82378 -4.777626      28.37481 
1 1 1 -18 2  33 o 44.55203 13.72840 14.17351       30.58212 38.96113      48.31141 -2.400877      39.50490 50.65396 21.17681 38.45010 17.47625 12.20387       27.45681 
1 1 1 -18 4  1  o 91.45532 5.660281 112.8708       13.89906 125.1726      20.04341 101.4755       19.29068 96.26044 7.732863 86.65020 8.267887 9.610237       11.32056 
1 1 1 -18 4  2  o 232.5913 3.698048 729.1356       23.15124 710.4442      32.18907 749.1658       33.32190 229.5072 5.208691 235.6753 5.250883 -6.168030      7.396096 
1 1 1 -18 4  3  f 41.95655 9.919315 22.45617       13.35670 16.57581      19.47411 27.67957       18.35407 38.86220 14.23684 45.05090 13.81607 -6.188702      19.83863 
1 1 1 -18 4  4  o 126.1961 4.495837 213.8461       15.21745 202.7272      20.45443 227.6290       22.77328 122.5505 6.198535 129.8417 6.513706 -7.291206      8.991673 
1 1 1 -18 4  5  f 164.1187 3.735514 362.7930       16.47974 356.2346      22.56887 370.2840       24.12016 162.5380 5.156694 165.6995 5.405994 -3.161438      7.471029 
1 1 1 -18 4  6  o 238.7512 3.518003 767.7386       22.59642 752.6415      31.18880 784.4188       32.78312 236.2876 4.902013 241.2149 5.047342 -4.927322      7.036006 
1 1 1 -18 4  7  o 304.0710 3.819166 1246.663       31.26972 1245.455      44.13189 1247.881       44.31278 303.9237 5.392679 304.2182 5.409542 -0.2944641     7.638332 
1 1 1 -18 4  8  o 272.2574 3.576842 998.9665       26.21769 975.3995      36.76247 1023.359       37.40059 268.9894 5.075585 275.5254 5.041193 -6.535980      7.153684 
1 1 1 -18 4  9  o 130.6667 3.991588 230.5748       13.95615 227.0888      20.85619 233.4015       18.78054 129.7588 5.969182 131.5746 5.300940 -1.815765      7.983176 
1 1 1 -18 4  10 o 249.6380 3.524456 840.2337       23.68167 811.3880      33.44280 869.2460       33.53928 245.3348 5.062443 253.9412 4.904980 -8.606445      7.048912 
1 1 1 -18 4  11 o 502.6647 5.547654 3412.258       75.08036 3432.498      107.0759 3392.682       105.3056 504.1223 7.888100 501.2071 7.802804 2.915161       11.09531 
1 1 1 -18 4  12 o 230.2408 3.624632 714.6171       22.46933 708.0377      31.51822 721.4164       32.04108 229.1645 5.107766 231.3171 5.144178 -2.152649      7.249265 
1 1 1 -18 4  13 o 349.6478 4.204230 1649.610       39.56570 1656.395      55.22405 1642.455       56.71443 350.3980 5.853064 348.8977 6.036874 1.500336       8.408460 
1 1 1 -18 4  14 o 187.6909 3.796774 474.2181       18.63033 471.0622      23.62919 479.4034       30.28805 186.9109 4.694949 188.4709 5.968202 -1.560043      7.593548 
1 1 1 -18 4  15 o 259.6384 4.854050 908.8940       33.93569 908.8940      33.93569 0.000000       0.000000 259.6384 4.854050 ?        ?        ?              ?        
1 1 1 -18 4  16 o 55.22942 9.727903 44.39700       13.89019 47.78917      16.86952 37.25544       24.47712 58.37953 11.13787 52.07932 15.95231 6.300213       19.45581 
1 1 1 -18 4  17 o 63.73104 8.441751 55.45012       13.83338 53.19906      17.59272 59.09635       22.39034 62.67622 10.42430 64.78587 13.28106 -2.109650      16.88350 
1 1 1 -18 4  18 o 249.7654 3.678169 840.8801       24.72860 845.9088      35.48347 836.1315       34.48111 250.4875 5.260859 249.0433 5.141892 1.444138       7.356337 
1 1 1 -18 4  19 o 117.0685 4.821322 184.2232       15.11043 190.7475      22.78570 179.1017       20.18808 118.9018 7.116894 115.2352 6.506183 3.666611       9.642645 
1 1 1 -18 4  20 o 207.0609 3.793482 580.7689       20.95395 555.1279      31.47114 601.1874       28.08399 202.9162 5.759865 211.2056 4.938215 -8.289383      7.586963 
1 1 1 -18 4  21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 4  22 o 69.64383 8.861491 59.51876       15.56353 103.6036      27.02530 37.64328       19.03728 87.52138 11.46761 51.76627 13.51288 35.75510       17.72298 
1 1 1 -18 4  23 o 419.2138 4.918429 2370.866       55.41378 2363.603      80.83537 2377.306       76.11161 418.5834 7.171929 419.8441 6.732547 -1.260742      9.836858 
1 1 1 -18 4  24 o 158.9510 4.893799 344.9714       20.03072 327.8618      33.21262 354.7525       25.11180 155.7451 7.919635 162.1568 5.751212 -6.411667      9.787598 
1 1 1 -18 4  25 o 57.61692 11.38786 46.51005       18.04647 48.76664      28.85688 45.06065       23.12696 58.88121 17.15373 56.35263 14.98275 2.528580       22.77572 
1 1 1 -18 4  26 o 63.78374 11.45593 57.91847       19.62405 59.54471      29.44352 56.61867       26.32310 64.56874 16.78099 62.99873 15.59972 1.570011       22.91186 
1 1 1 -18 4  27 o 88.84702 11.56428 112.4331       26.64512 111.2777      37.79141 113.5752       37.57331 88.34547 16.49298 89.34856 16.21456 -1.003090      23.12856 
1 1 1 -18 4  28 o 57.94437 16.48100 29.81215       39.06636 8.008863      66.26392 41.42785       48.36581 56.57407 24.27053 59.31468 22.30323 -2.740604      32.96199 
1 1 1 -18 4  29 o 90.05290 15.92313 144.4855       37.54317 129.8665      65.26893 151.7141       45.89587 82.62273 26.16601 97.48308 18.15279 -14.86034      31.84625 
1 1 1 -18 4  30 o 43.35906 13.33534 2.701020       28.88986 -14.19463     47.81026 12.41818       36.25796 42.70288 19.33677 44.01524 18.36884 -1.312366      26.67068 
1 1 1 -18 4  31 o 40.91944 12.71030 -8.697895      29.51551 -62.15527     48.80602 22.12570       37.06049 35.06335 16.95577 46.77553 18.93962 -11.71218      25.42061 
1 1 1 -18 4  32 o 77.30518 14.14016 102.6402       28.32752 97.03062      51.98511 105.0094       33.78394 72.77275 23.38451 81.83760 15.90410 -9.064850      28.28031 
1 1 1 -18 4  33 o 36.51894 12.21880 -34.88519      29.80953 20.18228      50.57406 -64.20196      36.90101 45.72688 20.35957 27.31099 13.51607 18.41589       24.43760 
1 1 1 -18 6  1  o 317.8489 4.085504 1362.409       34.96498 1352.620      49.18776 1372.407       49.71233 316.6958 5.768081 319.0020 5.787451 -2.306183      8.171007 
1 1 1 -18 6  2  o 104.3333 5.078005 148.5111       14.10346 125.7762      20.27956 169.8064       19.62704 96.49216 7.805186 112.1744 6.497971 -15.68223      10.15601 
1 1 1 -18 6  3  o 230.0420 3.608790 713.6176       22.34621 709.0861      31.15442 718.4194       32.07011 229.2946 5.045945 230.7894 5.160611 -1.494858      7.217580 
1 1 1 -18 6  4  o 187.5882 3.570962 471.3443       17.87436 452.4450      23.54059 497.0751       27.46769 183.1926 4.772280 191.9838 5.313419 -8.791214      7.141924 
1 1 1 -18 6  5  o 236.8133 3.572950 755.7849       22.73678 748.5609      31.10670 764.0716       33.31622 235.6107 4.903156 238.0159 5.198360 -2.405258      7.145900 
1 1 1 -18 6  6  o 140.1031 3.837179 264.8592       14.35739 265.2816      19.12941 264.3142       21.72647 140.2490 5.065453 139.9572 5.765150 0.2917938      7.674357 
1 1 1 -18 6  7  o 299.8145 3.818014 1211.987       30.81682 1181.029      43.14315 1244.236       44.03363 295.9055 5.414713 303.7236 5.384217 -7.818115      7.636027 
1 1 1 -18 6  8  o 370.7416 4.350248 1854.493       43.41298 1862.199      62.27448 1847.208       60.55220 371.4807 6.225732 370.0025 6.077737 1.478241       8.700496 
1 1 1 -18 6  9  o 410.2532 4.689645 2271.880       51.79663 2268.743      73.90849 2274.909       72.61174 409.9648 6.695212 410.5417 6.568501 -0.5768738     9.379290 
1 1 1 -18 6  10 o 192.2767 4.621438 490.7707       21.20205 516.8469      41.43611 481.5220       24.67719 195.5691 7.868559 188.9843 4.849385 6.584854       9.242876 
1 1 1 -18 6  11 o 144.1178 4.023508 281.6373       15.53276 301.4799      21.43899 259.7136       22.53527 149.5066 5.325502 138.7291 6.032702 10.77750       8.047016 
1 1 1 -18 6  12 o 213.2282 3.460399 609.5096       19.55443 593.4924      25.33927 633.0926       30.74687 209.8131 4.485160 216.6433 5.270749 -6.830124      6.920799 
1 1 1 -18 6  13 o 179.3143 3.668507 439.8714       17.15670 461.0750      22.00992 407.0367       27.38920 184.9430 4.419745 173.6857 5.856416 11.25729       7.337013 
1 1 1 -18 6  14 o 248.5652 3.558256 834.0286       23.70469 842.9916      32.10860 823.2912       35.14360 250.0541 4.768744 247.0762 5.282408 2.977936       7.116513 
1 1 1 -18 6  15 o 352.5153 4.232003 1677.359       40.14872 1683.702      55.92373 1670.613       57.67448 353.2180 5.879899 351.8125 6.088202 1.405548       8.464006 
1 1 1 -18 6  16 o 41.49848 9.637696 22.25391       12.37772 20.73079      16.50043 24.21394       18.71802 39.99559 13.19687 43.00138 14.04932 -3.005791      19.27539 
1 1 1 -18 6  17 o 144.8790 4.190788 280.9142       16.26665 262.4261      21.71643 304.5471       24.55283 139.4961 5.781534 150.2619 6.068334 -10.76576      8.381576 
1 1 1 -18 6  18 o 324.0089 6.009573 1415.589       52.43050 1415.589      52.43050 0.000000       0.000000 324.0089 6.009573 ?        ?        ?              ?        
1 1 1 -18 6  19 o 136.5419 4.504550 250.3260       16.35738 258.3800      25.37051 244.5962       21.39891 138.3964 6.808021 134.6873 5.900403 3.709122       9.009101 
1 1 1 -18 6  20 o 182.5447 5.081177 449.0602       24.97565 0.000000      0.000000 449.0602       24.97565 ?        ?        182.5447 5.081177 ?              ?        
1 1 1 -18 6  21 o 48.51283 10.57562 33.03522       15.52472 16.47658      27.12646 41.10049       18.93172 43.00292 16.57410 54.02275 13.14057 -11.01983      21.15125 
1 1 1 -18 6  22 o 129.1649 5.624199 219.4094       17.81581 238.9703      33.54042 211.7211       21.02750 133.0159 9.364431 125.3138 6.231684 7.702133       11.24840 
1 1 1 -18 6  23 o 67.60269 10.67465 66.70393       17.07685 55.55146      34.29442 70.38094       19.69178 63.12480 18.78448 72.08057 10.14573 -8.955772      21.34930 
1 1 1 -18 6  24 o 119.7461 6.555839 196.3837       19.54393 188.6189      34.73564 199.9804       23.64099 117.8480 10.94636 121.6443 7.217564 -3.796303      13.11168 
1 1 1 -18 6  25 o 49.02005 12.29587 30.98071       20.52348 -35.41313     51.94223 43.26382       22.34142 42.82119 19.67913 55.21891 14.74739 -12.39772      24.59174 
1 1 1 -18 6  26 o 118.2502 10.00162 167.7304       27.36298 242.4538      59.58078 147.7571       30.80367 132.3644 16.71674 104.1359 10.98546 28.22844       20.00325 
1 1 1 -18 6  27 o 61.18249 15.29967 48.00666       32.40695 16.71802      55.44469 64.24245       39.93955 55.26542 22.85970 67.09956 20.34095 -11.83414      30.59935 
1 1 1 -18 6  28 o 750.4888 10.51881 7144.649       184.8338 8800.756      384.2918 6646.233       210.8204 800.9740 17.81801 700.0036 11.18482 100.9704       21.03763 
1 1 1 -18 6  29 o 40.64349 13.15651 -24.39920      32.36070 -56.18216     54.39263 -6.985485      40.26137 39.76913 18.86747 41.51786 18.34104 -1.748722      26.31302 
1 1 1 -18 6  30 o 129.0047 9.007660 233.4112       30.16288 240.8620      49.98690 229.1448       37.82526 129.8357 14.29811 128.1736 10.95974 1.662170       18.01532 
1 1 1 -18 6  31 o 77.04764 14.73106 94.20910       29.70610 113.6129      52.81825 85.23159       35.92678 81.08027 23.08369 73.01501 18.30736 8.065254       29.46211 
1 1 1 -18 6  32 o 53.35938 15.05099 41.21066       31.00545 56.24464      53.94781 33.79531       37.88810 57.79331 23.04107 48.92545 19.37108 8.867859       30.10198 
1 1 1 -18 6  33 o 39.90353 13.16082 -27.39390      33.99073 49.28028      55.98325 -72.16297      42.77821 51.04144 22.10442 28.76562 14.29067 22.27581       26.32164 
1 1 1 -18 8  1  o 359.4373 4.432890 1741.488       42.89263 1706.128      59.84146 1778.849       61.51169 355.6886 6.248113 363.1859 6.289923 -7.497223      8.865780 
1 1 1 -18 8  2  o 66.69302 8.184999 61.84493       13.79278 99.42237      20.63085 31.47517       18.54702 85.76967 8.933053 47.61636 13.71778 38.15331       16.37000 
1 1 1 -18 8  3  o 357.0273 4.343131 1719.237       41.74326 1709.431      58.33458 1729.529       59.75895 355.9904 6.085615 358.0643 6.198099 -2.073944      8.686261 
1 1 1 -18 8  4  o 335.8417 4.162416 1521.880       37.63291 1545.012      52.95097 1498.270       53.49515 338.4295 5.810618 333.2538 5.961504 5.175629       8.324832 
1 1 1 -18 8  5  o 76.45746 6.231164 76.90373       12.58145 68.51102      15.99999 90.50061       20.36518 71.16585 8.349582 81.74907 9.251708 -10.58322      12.46233 
1 1 1 -18 8  6  o 222.8058 3.491897 669.4022       20.94919 670.9756      29.58557 667.8201       29.66786 223.0693 4.925573 222.5423 4.950969 0.5269470      6.983793 
1 1 1 -18 8  7  o 168.1288 3.683668 381.8032       16.62819 372.4474      24.29023 390.0542       22.81103 166.1755 5.428519 170.0820 4.980845 -3.906540      7.367336 
1 1 1 -18 8  8  o 126.2748 4.522698 223.6332       14.72813 178.6831      22.95381 255.0905       19.20215 115.0129 7.411819 137.5367 5.184990 -22.52376      9.045396 
1 1 1 -18 8  9  o 67.56516 7.901156 65.11523       13.56556 48.34415      19.98145 79.45446       18.47606 58.49474 13.02102 76.63559 8.953556 -18.14085      15.80231 
1 1 1 -18 8  10 o 174.4936 3.463691 411.9143       16.16586 423.8687      21.82836 397.3932       24.05785 177.3232 4.571641 171.6640 5.204682 5.659225       6.927382 
1 1 1 -18 8  11 o 214.4496 3.513183 623.4534       20.15681 658.1454      27.49962 583.1733       29.63171 220.9534 4.622137 207.9459 5.292038 13.00746       7.026366 
1 1 1 -18 8  12 o 197.7057 3.524926 512.0748       18.18609 470.5818      22.67702 586.8548       30.44326 186.8323 4.507656 208.5792 5.420467 -21.74689      7.049853 
1 1 1 -18 8  13 o 431.5678 4.889311 2515.466       56.81306 2558.923      80.69196 2472.746       80.00405 435.2697 6.884753 427.8659 6.944180 7.403870       9.778623 
1 1 1 -18 8  14 o 343.2606 4.153424 1588.579       38.37934 1626.314      55.05031 1552.894       53.53459 347.2231 5.888000 339.2981 5.859623 7.925049       8.306849 
1 1 1 -18 8  15 o 410.3305 4.726453 2271.283       52.20503 2244.157      72.74545 2300.088       74.96258 407.8135 6.624618 412.8475 6.743284 -5.033966      9.452907 
1 1 1 -18 8  16 o 552.1167 6.097027 4118.145       90.64043 4096.270      127.6443 4140.394       128.7325 550.6409 8.608936 553.5926 8.636039 -2.951721      12.19405 
1 1 1 -18 8  17 o 576.3759 6.345682 4486.008       98.45545 4415.842      137.2311 4560.431       141.3336 571.7465 8.913858 581.0052 9.034039 -9.258667      12.69136 
1 1 1 -18 8  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 8  19 o 518.9141 5.854744 3610.607       81.36317 3855.014      122.9815 3420.358       108.5035 534.3863 8.546753 503.4420 8.004068 30.94431       11.70949 
1 1 1 -18 8  20 o 127.5951 5.725277 227.3456       18.53231 195.0326      30.75107 245.7749       23.22341 120.1730 9.503200 135.0172 6.387830 -14.84418      11.45055 
1 1 1 -18 8  21 o 163.9858 4.803037 363.0639       20.00871 361.4132      34.56374 363.8959       24.53841 163.6594 7.843254 164.3121 5.546173 -0.6526794     9.606074 
1 1 1 -18 8  22 o 192.1465 7.390060 530.8467       25.58895 458.8461      68.60673 542.4816       27.57907 183.6968 13.87017 200.5961 5.105918 -16.89928      14.78012 
1 1 1 -18 8  23 o 63.89116 13.63617 58.09808       20.44905 33.86367      58.14377 61.51879       21.84463 61.62720 24.12163 66.15512 12.72508 -4.527924      27.27234 
1 1 1 -18 8  24 o 55.62230 13.47847 42.70302       20.56022 -13.45278     63.41750 49.29873       21.73415 52.36227 23.08099 58.88233 13.92641 -6.520058      26.95695 
1 1 1 -18 8  25 o 37.25726 11.84970 -11.41685      23.44520 -142.4052     64.19012 8.747659       25.18522 36.06067 17.84272 38.45384 15.59805 -2.393173      23.69940 
1 1 1 -18 8  26 o 174.1454 8.696651 286.5025       32.34361 674.7361      83.72224 218.3969       35.06597 221.6187 14.02979 126.6722 10.28066 94.94640       17.39330 
1 1 1 -18 8  27 o 41.68127 20.71483 -203.0675      41.82400 -202.3100     90.20883 -203.2749      47.20403 41.68127 20.71483 ?        ?        ?              ?        
1 1 1 -18 8  28 o 144.0525 12.77301 343.0412       40.75386 268.7096      75.15653 374.0009       48.50407 125.9793 23.00327 162.1257 11.11074 -36.14640      25.54602 
1 1 1 -18 8  29 f 35.34449 11.78064 -39.76255      28.38145 -16.79741     44.64892 -55.33348      36.76493 40.71029 18.53274 29.97870 14.54892 10.73159       23.56128 
1 1 1 -18 8  30 o 111.1520 10.49950 177.8803       29.60521 187.2210      51.57976 173.2912       36.15345 111.8935 17.11950 110.4105 12.16062 1.482956       20.99900 
1 1 1 -18 8  31 f 39.38002 12.74885 -10.73313      29.08028 -16.60645     50.13594 -7.755319      35.69902 41.64502 19.20979 37.11502 16.76655 4.529995       25.49771 
1 1 1 -18 8  32 f 49.04694 14.58106 33.89399       32.06447 32.51173      52.83677 34.69981       40.34233 49.74803 21.50931 48.34584 19.69211 1.402191       29.16212 
1 1 1 -18 10 1  o 376.0144 4.557971 1906.724       46.14804 1912.413      65.47139 1901.108       65.05695 376.5706 6.456865 375.4581 6.435004 1.112549       9.115941 
1 1 1 -18 10 2  o 281.3033 3.857146 1066.692       29.21428 1049.758      41.20300 1083.811       41.42839 279.0564 5.483445 283.5502 5.426062 -4.493805      7.714293 
1 1 1 -18 10 3  o 302.5171 3.956486 1233.297       32.21128 1220.624      44.72664 1246.953       46.42825 300.9084 5.520121 304.1257 5.669514 -3.217285      7.912971 
1 1 1 -18 10 4  o 459.8224 5.271810 2852.497       65.24821 2808.708      90.78603 2899.281       93.83949 456.1840 7.390871 463.4609 7.519503 -7.276917      10.54362 
1 1 1 -18 10 5  o 420.7212 4.897311 2387.553       55.45350 2349.402      77.01900 2428.618       79.90688 417.2436 6.855273 424.1988 6.995703 -6.955170      9.794622 
1 1 1 -18 10 6  o 316.9981 4.064038 1350.110       34.62102 1272.234      47.20291 1440.778       50.93255 307.1457 5.707435 326.8505 5.787125 -19.70483      8.128077 
1 1 1 -18 10 7  o 168.6629 3.864244 387.4453       17.37306 339.1692      25.26972 430.7162       23.92391 158.5770 5.918023 178.7487 4.970566 -20.17165      7.728488 
1 1 1 -18 10 8  o 340.8432 4.188000 1566.925       38.43398 1561.125      53.99900 1572.881       54.71580 340.2068 5.894667 341.4795 5.950654 -1.272644      8.376000 
1 1 1 -18 10 9  o 172.7395 3.573490 405.3778       16.39534 423.5298      21.76711 381.5761       24.92552 177.2652 4.560305 168.2139 5.502994 9.051300       7.146980 
1 1 1 -18 10 10 o 237.6979 3.631768 757.8734       23.15773 856.9385      33.99988 672.1454       31.62849 252.1220 5.008217 223.2739 5.260866 28.84816       7.263535 
1 1 1 -18 10 11 o 166.0417 5.356166 397.4772       19.05120 415.9997      21.53900 330.9026       40.83474 175.6867 4.553059 156.3968 9.696583 19.28992       10.71233 
1 1 1 -18 10 12 o 164.1126 5.193427 363.1100       22.94982 0.000000      0.000000 363.1100       22.94982 ?        ?        164.1126 5.193427 ?              ?        
1 1 1 -18 10 13 o 131.8757 3.813133 234.0704       13.52843 245.8517      19.61583 223.3837       18.68245 135.0347 5.394833 128.7167 5.390333 6.317947       7.626265 
1 1 1 -18 10 14 o 363.9492 4.326679 1786.361       42.39651 1783.387      60.38476 1789.254       59.53962 363.6456 6.166881 364.2528 6.070434 -0.6072083     8.653358 
1 1 1 -18 10 15 o 372.0386 4.410758 1866.451       44.17999 1824.173      62.22475 1909.430       62.73829 367.7857 6.283258 376.2914 6.191916 -8.505646      8.821516 
1 1 1 -18 10 16 o 90.53778 9.588180 110.7913       23.37488 110.7913      23.37488 0.000000       0.000000 90.53778 9.588180 ?        ?        ?              ?        
1 1 1 -18 10 17 o 41.09755 9.529506 7.899456       14.17817 45.94936      23.80878 -13.00823      17.64872 57.16014 15.20417 25.03497 11.49257 32.12517       19.05901 
1 1 1 -18 10 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 19 o 234.0406 5.540654 764.8223       30.84494 683.2591      58.04988 796.9099       36.41020 224.9192 9.584983 243.1619 5.560887 -18.24269      11.08131 
1 1 1 -18 10 20 o 194.1588 8.166197 507.3119       42.52013 576.4763      62.46106 447.5788       58.04642 206.4519 11.23588 181.8657 11.85336 24.58620       16.33239 
1 1 1 -18 10 21 o 73.37044 14.59997 78.06506       22.40931 44.02179      72.23925 81.68986       23.57217 69.12522 26.93368 77.61565 11.27890 -8.490425      29.19994 
1 1 1 -18 10 22 o 184.5732 7.784917 503.8994       27.60833 404.1646      67.10663 524.2197       30.29054 172.0403 14.48612 197.1062 5.707204 -25.06592      15.56983 
1 1 1 -18 10 23 o 211.9562 8.151730 659.2717       40.56524 508.7149      74.37412 723.0259       48.39786 192.7511 14.32985 231.1613 7.775487 -38.41022      16.30346 
1 1 1 -18 10 24 o 183.3053 9.124510 593.3179       30.42905 282.3637      66.80049 674.7348       34.18130 143.0431 17.34321 223.5676 5.678013 -80.52452      18.24902 
1 1 1 -18 10 25 o 199.7123 8.704220 495.4446       42.67903 672.1456      83.35229 432.6560       49.68649 221.1642 13.99649 178.2604 10.35142 42.90384       17.40844 
1 1 1 -18 10 26 o 37.87414 12.86374 -43.78952      35.14858 -194.2375     86.48885 -14.02652      38.46850 38.27308 19.20883 37.47520 17.11504 0.7978783      25.72748 
1 1 1 -18 10 27 o 130.6534 14.47141 235.2285       50.91139 0.000000      0.000000 235.2285       50.91139 ?        ?        130.6534 14.47141 ?              ?        
1 1 1 -18 10 28 o 73.11336 14.19678 90.55306       30.41728 40.09536      55.24216 112.5067       36.43844 59.00716 23.38164 87.21955 16.10879 -28.21239      28.39356 
1 1 1 -18 10 29 o 56.87019 13.81065 48.15954       26.89343 10.71922      50.12383 63.29472       31.86898 49.31894 21.13205 64.42143 17.78687 -15.10249      27.62131 
1 1 1 -18 10 30 o 49.15070 14.60092 22.43718       29.23103 24.24349      59.37865 21.85942       33.58206 53.25251 22.91354 45.04889 18.10295 8.203629       29.20184 
1 1 1 -18 10 31 o 35.99518 12.01911 -27.90474      30.64894 -109.3866     62.55839 -2.169838      35.15738 34.60490 17.20664 37.38547 16.78592 -2.780571      24.03821 
1 1 1 -18 10 32 o 69.33651 14.91801 112.0012       33.85371 67.20628      66.11387 127.9201       39.41269 54.59626 23.82874 84.07676 17.95491 -29.48050      29.83601 
1 1 1 -18 12 1  o 127.8767 4.155708 221.6741       14.15258 211.1691      21.38061 229.8666       18.88117 125.1523 6.344505 130.6010 5.369068 -5.448715      8.311416 
1 1 1 -18 12 2  o 205.8099 3.434413 570.8659       19.02768 577.1353      26.69465 564.3909       27.12902 206.9611 4.790184 204.6587 4.922895 2.302399       6.868825 
1 1 1 -18 12 3  o 198.1367 3.519143 527.7180       18.75156 558.5872      27.34034 500.2995       25.76697 203.5938 4.987190 192.6796 4.966428 10.91417       7.038286 
1 1 1 -18 12 4  o 50.04521 14.02219 34.94027       19.65181 34.94027      19.65181 0.000000       0.000000 50.04521 14.02219 ?        ?        ?              ?        
1 1 1 -18 12 5  o 173.3878 3.828220 406.1083       17.82350 391.6243      25.90876 419.1214       24.55794 170.4373 5.645450 176.3384 5.172037 -5.901108      7.656440 
1 1 1 -18 12 6  o 52.51768 8.201163 38.95984       11.20695 40.23959      14.85486 37.26919       17.07386 53.60836 10.66613 51.42700 12.46074 2.181355       16.40233 
1 1 1 -18 12 7  o 454.8317 5.175961 2790.941       63.38447 2749.384      88.90833 2833.894       90.38836 451.3900 7.314878 458.2734 7.324946 -6.883423      10.35192 
1 1 1 -18 12 8  o 199.8376 3.561696 538.4879       18.96899 540.0060      25.11308 536.4710       28.94573 200.1812 4.659008 199.4940 5.388540 0.6871643      7.123392 
1 1 1 -18 12 9  o 378.7429 4.523174 1934.609       46.12849 1931.579      65.11832 1937.660       65.35337 378.4459 6.390223 379.0399 6.403239 -0.5939331     9.046349 
1 1 1 -18 12 10 o 215.0800 4.914884 623.4431       28.46405 623.4431      28.46405 0.000000       0.000000 215.0800 4.914884 ?        ?        ?              ?        
1 1 1 -18 12 11 o 272.9940 3.777038 1000.649       27.70946 928.8000      37.88371 1083.313       40.63497 262.4955 5.359783 283.4924 5.323230 -20.99686      7.554075 
1 1 1 -18 12 12 o 329.8064 4.091412 1461.965       36.18451 1514.355      54.05442 1419.427       48.70750 335.1270 5.990160 324.4859 5.574637 10.64105       8.182823 
1 1 1 -18 12 13 f 216.5936 3.488778 625.3683       20.02624 669.9028      31.67325 595.7067       25.84887 222.9319 5.276392 210.2554 4.565739 12.67651       6.977556 
1 1 1 -18 12 14 o 244.6318 5.530447 806.7300       36.42979 806.7300      36.42979 0.000000       0.000000 244.6318 5.530447 ?        ?        ?              ?        
1 1 1 -18 12 15 o 356.8410 4.347429 1714.558       41.65555 1745.318      61.48661 1688.464       56.63205 359.7789 6.346898 353.9031 5.942847 5.875793       8.694858 
1 1 1 -18 12 16 o 221.9312 5.426548 659.3850       26.66601 673.4243      57.72117 655.5757       30.06686 223.2944 9.600060 220.5681 5.062464 2.726303       10.85310 
1 1 1 -18 12 17 o 262.3308 6.597584 928.8098       46.59113 952.6669      66.80281 906.2137       65.01323 265.6083 9.340491 259.0534 9.320283 6.554932       13.19517 
1 1 1 -18 12 18 o 247.6090 5.548836 835.3006       31.97848 811.2919      63.63824 843.4110       36.98752 245.0649 9.643921 250.1530 5.491185 -5.088120      11.09767 
1 1 1 -18 12 19 o 112.9798 8.649470 173.0325       21.37932 172.6837      46.72946 173.1248       24.04323 112.7064 15.39780 113.2532 7.884227 -0.5467377     17.29894 
1 1 1 -18 12 20 o 178.5305 7.179194 459.6093       28.03172 384.1955      58.43512 482.1505       31.94757 168.0531 12.91350 189.0080 6.277320 -20.95490      14.35839 
1 1 1 -18 12 21 o 47.68200 13.13076 22.48749       22.82276 -42.76685     58.33466 34.28101       24.79955 44.89417 20.71291 50.46983 16.14445 -5.575668      26.26153 
1 1 1 -18 12 22 o 43.48878 13.65486 -1.255447      23.27329 -15.44935     62.29919 1.046687       25.08977 51.46582 22.77135 35.51175 15.07604 15.95407       27.30973 
1 1 1 -18 12 23 o 149.6143 9.544221 333.2184       28.33532 266.1857      65.94698 348.3955       31.37954 138.7335 17.65347 160.4950 7.261088 -21.76149      19.08844 
1 1 1 -18 12 24 o 134.1951 11.07681 183.3788       32.24648 379.1415      80.85985 146.3575       35.16365 164.9842 18.20150 103.4060 12.62887 61.57819       22.15362 
1 1 1 -18 12 25 o ?        ?        -232.3208      38.51971 -340.4683     97.74293 -212.4363      41.91157 ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 26 o 282.4178 32.32151 1530.417       118.5742 1580.740      124.1821 1010.696       399.0810 339.4057 13.58803 225.4299 63.19877 113.9758       64.64301 
1 1 1 -18 12 27 o 36.70210 12.37189 -46.96430      30.11814 -30.55544     54.62157 -54.13268      36.10234 43.40344 20.03134 30.00075 14.52583 13.40269       24.74378 
1 1 1 -18 12 28 o 45.68352 13.65044 9.759285       26.86025 20.62656      48.55090 4.966009       32.24432 51.36515 21.33069 40.00188 17.03935 11.36326       27.30087 
1 1 1 -18 12 29 o 52.00499 14.74673 -1.930111      28.40286 94.17120      62.05874 -27.39420      31.94497 72.78918 25.56599 31.22079 14.70523 41.56838       29.49345 
1 1 1 -18 12 30 o 35.07962 12.40557 -66.04254      31.33516 -49.16973     73.21811 -69.82590      34.67073 43.99777 21.14842 26.16148 12.97446 17.83629       24.81113 
1 1 1 -18 12 31 o 38.08076 12.72838 -14.90414      33.96919 -91.52946     72.01426 7.024220       38.52436 37.03197 18.42122 39.12957 17.57001 -2.097599      25.45676 
1 1 1 -18 14 1  o 481.9263 5.494108 3134.960       71.29343 3143.580      101.2518 3126.484       100.4019 482.5797 7.792022 481.2728 7.747599 1.306946       10.98822 
1 1 1 -18 14 2  o 233.8676 3.513521 736.3239       22.10381 752.0426      32.10799 722.1633       30.47491 236.2345 5.047617 231.5007 4.888852 4.733826       7.027041 
1 1 1 -18 14 3  o 117.6346 4.218204 190.1699       13.05150 166.1154      19.95815 208.1424       17.25149 110.9901 6.678098 124.2792 5.155192 -13.28912      8.436409 
1 1 1 -18 14 4  o 799.9883 8.661429 8659.061       186.5497 8561.140      261.1513 8761.091       266.5746 795.3896 12.19352 804.5870 12.30445 -9.197388      17.32286 
1 1 1 -18 14 5  o 203.2621 3.386098 557.6669       18.43410 566.8163      24.93355 546.6365       27.37693 205.1130 4.514477 201.4112 5.047983 3.701843       6.772195 
1 1 1 -18 14 6  o 241.1926 3.540865 783.5073       22.99044 802.6943      32.95721 765.3203       32.08702 244.0671 5.014849 238.3180 5.000220 5.749100       7.081731 
1 1 1 -18 14 7  o 413.3534 4.847893 2300.296       53.87609 2371.417      78.82400 2237.939       73.80773 419.3269 6.981075 407.3799 6.728509 11.94702       9.695786 
1 1 1 -18 14 8  o 285.8417 3.912037 1099.740       30.07857 1070.228      41.40865 1132.705       43.76404 281.7917 5.457321 289.8916 5.606584 -8.099945      7.824074 
1 1 1 -18 14 9  o 87.87926 6.130388 104.0902       14.49419 98.89715      20.06281 109.7595       20.96254 85.58929 8.705403 90.16924 8.633804 -4.579948      12.26078 
1 1 1 -18 14 10 o 286.8189 5.168256 1108.629       39.91492 0.000000      0.000000 1108.629       39.91492 ?        ?        286.8189 5.168256 ?              ?        
1 1 1 -18 14 11 o 163.2787 7.560391 348.7818       32.46529 414.4050      53.33326 310.1508       40.92015 175.0478 11.31509 151.5096 10.03030 23.53828       15.12078 
1 1 1 -18 14 12 o 346.4323 5.613808 1629.417       46.95277 1596.439      88.46607 1642.349       55.39937 343.8080 9.556026 349.0565 5.894210 -5.248505      11.22762 
1 1 1 -18 14 13 o 242.1135 5.221347 804.4545       28.73265 764.9509      58.87823 816.8028       32.91846 238.0207 9.186639 246.2062 4.965433 -8.185516      10.44269 
1 1 1 -18 14 14 o 298.3293 5.274291 1174.625       35.74169 1249.072      75.37492 1153.029       40.59595 304.1462 9.203671 292.5123 5.154127 11.63388       10.54858 
1 1 1 -18 14 15 f 63.33078 11.39172 65.99694       16.94993 21.14529      43.75950 73.91409       18.38515 52.67965 20.83049 73.98191 9.229078 -21.30226      22.78344 
1 1 1 -18 14 16 o 398.8594 5.976260 2132.600       58.84171 2184.561      107.9810 2110.653       70.17634 402.0886 9.973372 395.6303 6.587457 6.458313       11.95252 
1 1 1 -18 14 17 o 175.6281 6.221655 428.6484       24.29826 395.7530      50.92910 438.3429       27.64782 170.9554 11.06368 180.3008 5.694817 -9.345398      12.44331 
1 1 1 -18 14 18 o 132.0959 8.394225 238.4823       22.89021 234.6491      53.76168 239.3311       25.29779 131.0704 15.23298 133.1213 7.057511 -2.050919      16.78845 
1 1 1 -18 14 19 o 295.9876 5.715346 1228.905       42.38031 1058.343      72.14785 1318.762       52.36726 279.4417 9.588460 312.5335 6.222714 -33.09186      11.43069 
1 1 1 -18 14 20 o 112.0090 11.91209 196.6894       25.91259 143.9110      57.99911 209.8518       28.96408 99.55466 22.20136 124.4632 8.642416 -24.90858      23.82419 
1 1 1 -18 14 21 o 90.94064 13.90398 122.3786       25.58431 106.2320      63.73873 125.4798       27.93334 85.79688 25.62647 96.08440 10.79659 -10.28752      27.80795 
1 1 1 -18 14 22 o 108.4900 16.42920 152.1611       47.14151 264.7416      80.17572 92.67458       58.28017 136.8995 21.74992 80.08060 24.62956 56.81886       32.85840 
1 1 1 -18 14 23 o 46.07594 15.00085 -20.49207      35.91381 -104.5084     87.80704 -3.613591      39.35627 49.47493 23.61284 42.67695 18.50774 6.797981       30.00171 
1 1 1 -18 14 24 o 67.19801 15.30181 37.78490       48.54658 -376.0573     117.5961 122.8027       53.30042 42.42397 21.43149 91.97205 21.84657 -49.54808      30.60362 
1 1 1 -18 14 25 o 61.51804 16.88231 51.36494       44.01605 -67.92867     97.63100 81.79802       49.31194 52.24243 24.92400 70.79366 22.77815 -18.55122      33.76463 
1 1 1 -18 14 26 o 66.96800 14.29856 76.61593       32.14544 -9.069170     65.84074 103.4329       36.83384 51.04893 22.94222 82.88708 17.07191 -31.83816      28.59712 
1 1 1 -18 14 27 o 70.18774 12.03559 90.75193       30.72374 -67.37183     64.63408 136.9110       34.92138 42.08307 20.13284 98.29243 13.19435 -56.20936      24.07119 
1 1 1 -18 14 28 o 70.09252 15.51488 90.58921       32.59769 28.01885      81.35407 102.5563       35.57869 59.00810 26.06943 81.17694 16.82946 -22.16884      31.02976 
1 1 1 -18 14 29 o 48.20464 15.57152 -16.50409      32.30596 81.82452      80.89179 -35.16351      35.23818 65.28945 27.35724 31.11982 14.88190 34.16963       31.14305 
1 1 1 -18 14 30 o 35.50623 12.23430 -35.51297      33.80808 -161.5382     86.22273 -12.61732      36.75103 36.48801 18.42307 34.52444 16.10288 1.963577       24.46860 
1 1 1 -18 16 1  o 339.5150 5.978805 1577.306       49.86131 1602.433      59.65710 1519.078       90.81599 344.4431 6.432225 334.5868 10.08022 9.856323       11.95761 
1 1 1 -18 16 2  o 361.7015 6.004261 1765.612       52.72481 1760.026      62.26761 1779.760       99.10709 361.0673 6.404580 362.3357 10.15805 -1.268372      12.00852 
1 1 1 -18 16 3  o 139.6009 7.107552 296.8812       15.14175 304.9718      15.98081 225.8474       47.35220 150.4326 3.945242 128.7693 13.65666 21.66324       14.21510 
1 1 1 -18 16 4  o 177.2928 3.405417 417.3893       15.91963 394.3762      20.29618 454.1862       25.66448 171.0559 4.406491 183.5296 5.193293 -12.47372      6.810833 
1 1 1 -18 16 5  o 347.5927 4.321858 1627.224       40.41991 1680.063      58.57488 1579.192       55.84739 352.9682 6.163005 342.2173 6.060627 10.75092       8.643717 
1 1 1 -18 16 6  o 319.0393 5.769491 1381.692       43.04027 1357.805      85.31292 1389.848       49.84904 316.9807 9.995362 321.0978 5.765488 -4.117065      11.53898 
1 1 1 -18 16 7  o 409.8128 6.316406 2282.694       64.25417 2228.656      115.3583 2307.000       77.36668 406.0391 10.55110 413.5866 6.947109 -7.547516      12.63281 
1 1 1 -18 16 8  o 116.2200 9.164312 184.3459       19.87518 181.0289      52.86225 184.8920       21.44894 115.3508 17.01930 117.0892 6.803079 -1.738441      18.32862 
1 1 1 -18 16 9  f 746.3096 10.05780 7514.510       187.4220 7659.861      336.3773 7449.071       225.7028 750.5085 16.64515 742.1107 11.29496 8.397827       20.11560 
1 1 1 -18 16 10 o 264.2339 5.727209 943.1816       32.29829 940.7116      73.02386 943.7823       36.01230 263.8264 10.27929 264.6413 5.053705 -0.8148193     11.45442 
1 1 1 -18 16 11 o 194.5023 6.237463 510.2830       23.32099 511.4798      60.22514 510.0718       25.29438 194.4440 11.50270 194.5606 4.828207 -0.1165619     12.47493 
1 1 1 -18 16 12 o 204.7894 5.848972 567.4976       23.26534 564.0714      59.20665 568.1233       25.30053 204.2393 10.76584 205.3395 4.575871 -1.100220      11.69794 
1 1 1 -18 16 13 o 99.10425 9.095103 107.4493       17.05993 173.0426      49.74163 98.70507       18.16150 112.7026 16.39090 85.50590 7.888098 27.19669       18.19021 
1 1 1 -18 16 14 o 150.0450 8.031030 281.8051       30.64102 380.0354      55.64672 239.0622       36.70699 167.2520 12.35620 132.8380 10.26227 34.41406       16.06206 
1 1 1 -18 16 15 o 260.7405 5.519818 915.6317       31.61136 924.3052      68.96026 913.3243       35.56849 261.2338 9.803614 260.2472 5.075699 0.9865417      11.03964 
1 1 1 -18 16 16 o 397.5409 6.483191 2163.168       66.89533 2049.702      108.7925 2232.149       84.82648 388.7421 10.39332 406.3396 7.752806 -17.59753      12.96638 
1 1 1 -18 16 17 f 326.2234 5.934291 1435.091       46.54600 1453.338      88.97657 1428.216       54.61510 327.2426 10.09770 325.2042 6.236965 2.038452       11.86858 
1 1 1 -18 16 18 o 463.1102 6.642848 2898.140       73.08025 2932.546      142.3121 2885.818       85.16746 464.1627 11.38645 462.0577 6.845325 2.105011       13.28570 
1 1 1 -18 16 19 o 292.8864 6.242616 1084.903       39.97508 1298.241      91.25254 1034.239       44.46910 309.0132 10.96692 276.7597 5.967222 32.25348       12.48523 
1 1 1 -18 16 20 o 279.4786 7.673666 1046.114       51.31528 1104.532      99.75938 1025.095       59.83897 283.9467 13.04769 275.0106 8.080743 8.936066       15.34733 
1 1 1 -18 16 21 o 43.71465 15.04254 -61.66874      34.08023 -46.36524     91.53085 -64.13178      36.72051 57.90338 26.42741 29.52591 14.37720 28.37747       30.08508 
1 1 1 -18 16 22 o 41.19839 14.27808 -59.17990      41.56133 -195.2724     109.7212 -36.38199      44.90774 45.47167 22.63876 36.92511 17.40520 8.546562       28.55617 
1 1 1 -18 16 23 o 311.1054 11.32653 1314.141       94.88291 0.000000      0.000000 1314.141       94.88291 ?        ?        311.1054 11.32653 ?              ?        
1 1 1 -18 16 24 o 83.12610 14.98580 124.2042       39.50678 -1.721348     78.43050 167.0188       45.73239 57.77496 25.55705 108.4772 15.65676 -50.70228      29.97160 
1 1 1 -18 16 25 o 64.33134 14.34604 70.93002       32.44500 -44.37563     76.11971 96.52927       35.86622 48.97722 22.95135 79.68546 17.21831 -30.70823      28.69207 
1 1 1 -18 16 26 o 47.21658 13.90481 15.72327       30.57005 -171.2306     90.70354 39.68092       32.46976 41.79210 20.77020 52.64107 18.49253 -10.84896      27.80961 
1 1 1 -18 16 27 o 44.32324 15.10991 -19.91027      31.98977 -25.35811     98.95458 -19.27448      33.80495 54.85262 25.84983 33.79386 15.65323 21.05875       30.21981 
1 1 1 -18 16 28 o 59.02916 17.18333 52.17173       31.83225 70.20863      108.2414 50.46410       33.30503 63.17574 28.79686 54.88258 18.75655 8.293159       34.36666 
1 1 1 -18 16 29 o 57.53281 17.00870 63.17633       33.69949 117.2203      108.2327 57.37452       35.46226 60.45256 28.00402 54.61307 19.31211 5.839497       34.01739 
1 1 1 -18 18 1  o 132.9705 15.29706 249.4943       51.22182 373.4185      77.46351 153.2122       68.27972 164.1701 17.52345 101.7709 25.07844 62.39924       30.59411 
1 1 1 -18 18 2  o 504.2677 8.865825 3466.215       120.3359 3510.909      173.0227 3424.341       167.4742 507.3500 12.66520 501.1855 12.40984 6.164551       17.73165 
1 1 1 -18 18 3  o 143.5399 10.64762 282.9167       41.12188 271.0267      58.26395 294.7182       58.04691 140.4699 15.40400 146.6099 14.70390 -6.140030      21.29525 
1 1 1 -18 18 4  o 171.0885 7.146934 404.1319       20.69774 388.7891      61.29520 406.1065       21.98932 168.6595 13.49685 173.5174 4.706362 -4.857910      14.29387 
1 1 1 -18 18 5  o 64.42445 12.65312 30.80281       11.84746 104.9940      54.11181 27.06728       12.14206 85.06971 23.04975 43.77921 10.44578 41.29050       25.30623 
1 1 1 -18 18 6  o 197.8858 5.898772 526.5568       21.65759 534.8644      58.50712 525.2377       23.31370 198.4025 10.95162 197.3692 4.386806 1.033249       11.79754 
1 1 1 -18 18 7  o 101.4348 9.546251 106.6217       17.13787 191.4534      55.22004 97.57971       18.02809 117.9314 17.38936 84.93816 7.882492 32.99329       19.09250 
1 1 1 -18 18 8  o 267.7357 5.631028 966.6055       29.32208 973.6929      74.70577 965.3148       31.88043 267.8929 10.35642 267.5786 4.424757 0.3142700      11.26206 
1 1 1 -18 18 9  o 204.2169 6.488760 595.4594       22.54063 525.9236      64.97566 604.9726       24.03311 196.5898 12.27457 211.8439 4.213185 -15.25417      12.97752 
1 1 1 -18 18 10 o 121.6828 9.814676 190.9062       28.09028 225.6561      57.50428 180.0153       32.19260 128.1819 16.66058 115.1837 10.37963 12.99821       19.62935 
1 1 1 -18 18 11 o 139.4468 7.789241 230.5080       17.53552 309.1785      59.29745 222.9689       18.35653 150.3386 14.64813 128.5551 5.302956 21.78351       15.57848 
1 1 1 -18 18 12 o 119.6821 9.159354 177.0681       18.17850 219.8512      58.53926 172.5021       19.12395 126.3441 17.20715 113.0202 6.284028 13.32387       18.31871 
1 1 1 -18 18 13 f 151.0399 7.830755 285.2204       20.69955 344.4871      62.33060 277.8739       21.94501 158.6026 14.59511 143.4772 5.680277 15.12546       15.66151 
1 1 1 -18 18 14 o 470.6446 6.700535 2934.002       70.13152 3131.573      152.3435 2880.874       79.00036 479.4923 11.79937 461.7968 6.353232 17.69550       13.40107 
1 1 1 -18 18 15 o 131.4799 10.21562 237.8644       33.74904 233.9926      59.25441 239.7236       41.05979 130.2641 16.89323 132.6958 11.49149 -2.431717      20.43124 
1 1 1 -18 18 16 o 329.8094 6.650609 1478.324       56.59982 1463.720      94.40718 1486.519       70.71856 328.1896 10.68309 331.4292 7.924270 -3.239563      13.30122 
1 1 1 -18 18 17 o 286.6340 6.764361 1057.524       43.52768 1224.393      95.05424 1013.248       48.96302 299.5267 11.78562 273.7413 6.642697 25.78540       13.52872 
1 1 1 -18 18 18 o 83.35617 17.38417 64.15302       37.35756 187.7279      83.61698 33.33584       41.75666 111.5131 27.91264 55.19920 20.72974 56.31395       34.76834 
1 1 1 -18 18 19 o 151.4645 10.90928 297.2124       34.84580 351.1156      82.87598 285.6368       38.40552 158.0785 19.47029 144.8505 9.846687 13.22795       21.81856 
1 1 1 -18 18 20 f 41.11705 20.72525 -230.6665      40.87755 -308.3954     106.5472 -217.2506      44.26488 41.11705 20.72525 ?        ?        ?              ?        
1 1 1 -18 18 21 o 441.7643 15.58513 2671.815       185.3892 2671.815      185.3892 0.000000       0.000000 441.7643 15.58513 ?        ?        ?              ?        
1 1 1 -18 18 22 o 43.42978 14.67394 -30.75499      36.45790 -233.4309     116.1897 -8.620793      38.39711 46.96997 23.37031 39.88959 17.75181 7.080376       29.34788 
1 1 1 -18 18 23 o 73.14089 19.28027 86.81067       49.16064 38.93832      108.1111 99.28972       55.19742 68.61472 30.19493 77.66707 23.98293 -9.052353      38.56054 
1 1 1 -18 18 24 o 54.10047 17.06110 6.508788       45.23367 -39.77978     98.07561 19.01553       50.97958 56.51024 26.34013 51.69070 21.69153 4.819542       34.12220 
1 1 1 -18 18 25 o 68.32228 18.56491 76.55647       44.17891 69.19823      94.82091 78.59669       49.92942 68.37106 29.17407 68.27351 22.96730 0.9755707E-01  37.12982 
1 1 1 -18 18 26 o 42.14615 14.37678 -39.86028      42.49583 -129.6661     98.59991 -19.37279      47.09433 44.63159 22.08897 39.66072 18.40773 4.970871       28.75356 
1 1 1 -18 18 27 o 55.04415 17.35109 37.72345       40.61010 88.91052      101.3548 27.93442       44.32347 62.79412 28.31970 47.29418 20.05581 15.49994       34.70218 
1 1 1 -18 18 28 f 50.74643 16.95487 35.45287       45.52431 96.87922      130.7590 26.98032       48.56251 56.30827 27.35240 45.18460 20.04288 11.12366       33.90974 
1 1 1 -18 20 1  o 72.68341 19.68331 15.78267       65.05450 151.5258      94.88669 -104.6176      89.36347 96.57715 31.63593 48.78967 23.42859 47.78748       39.36662 
1 1 1 -18 20 2  o 223.9496 10.27500 701.5607       61.87892 724.9247      86.38803 676.9423       88.67687 228.0385 14.06896 219.8607 14.97888 8.177887       20.55000 
1 1 1 -18 20 3  o 74.97349 19.29805 62.55725       52.49107 108.7783      77.25282 22.91645       71.54275 87.11279 28.54580 62.83419 25.97685 24.27861       38.59611 
1 1 1 -18 20 4  o 116.3122 17.45768 197.8485       52.92733 166.3373      71.35301 236.3963       78.91860 105.6612 25.39416 126.9632 23.96287 -21.30206      34.91536 
1 1 1 -18 20 5  o 273.1522 6.792270 1013.759       31.62746 1014.977      93.81860 1013.603       33.59391 272.2215 12.79921 274.0830 4.551926 -1.861481      13.58454 
1 1 1 -18 20 6  o 83.51427 14.06933 64.86580       16.07593 150.1828      73.01110 60.51877       16.48039 100.2673 26.60334 66.76120 9.167692 33.50613       28.13867 
1 1 1 -18 20 7  o 213.3068 6.970260 538.6043       21.48756 719.5550      82.07750 525.2899       22.26406 229.2538 13.29610 197.3599 4.189499 31.89395       13.94052 
1 1 1 -18 20 8  o 205.6541 7.111673 537.9819       22.46948 620.9785      77.58231 530.3827       23.47561 213.0017 13.52684 198.3066 4.396391 14.69508       14.22335 
1 1 1 -18 20 9  o 194.1693 7.543463 485.2042       25.85691 550.4309      75.95546 476.6545       27.49937 200.4277 14.07401 187.9108 5.434852 12.51695       15.08693 
1 1 1 -18 20 10 o 312.8288 6.540977 1288.884       38.07680 1382.763      103.8156 1274.292       40.92914 318.3504 12.11082 307.3072 4.946255 11.04321       13.08195 
1 1 1 -18 20 11 o 65.15025 14.82243 10.44101       20.43625 144.1290      70.98910 -1.639423      21.33962 98.47791 26.28185 31.82257 13.71433 66.65533       29.64487 
1 1 1 -18 20 12 o 274.0663 6.729245 980.4578       35.34879 1079.217      93.56017 964.0126       38.17860 280.9311 12.36824 267.2015 5.306372 13.72952       13.45849 
1 1 1 -18 20 13 o 171.6304 9.963023 376.4327       40.03649 464.5013      83.19110 349.8868       45.67360 183.0013 16.88260 160.2596 10.58420 22.74173       19.92605 
1 1 1 -18 20 14 o 357.2925 7.177274 1759.130       63.34330 1681.103      113.9303 1794.041       76.20764 350.6976 12.06488 363.8875 7.777642 -13.18991      14.35455 
1 1 1 -18 20 15 o 90.82318 14.87890 146.3033       28.83148 59.54522      75.69521 161.0257       31.18196 72.90338 27.78705 108.7430 10.64925 -35.83959      29.75780 
1 1 1 -18 20 16 o 99.32547 15.78806 177.0529       30.43276 111.1011      84.91622 186.7721       32.59814 82.52789 29.80543 116.1231 10.42536 -33.59517      31.57612 
1 1 1 -18 20 17 o 91.81905 14.58594 170.2129       43.25187 -110.3062     102.7844 230.5739       47.67871 54.16725 25.76737 129.4708 13.67632 -75.30359      29.17189 
1 1 1 -18 20 18 o 374.6816 15.04497 1916.301       151.7879 1916.301      151.7879 0.000000       0.000000 374.6816 15.04497 ?        ?        ?              ?        
1 1 1 -18 20 19 o 37.61696 13.43042 -198.7541      59.93616 -237.4458     102.7857 -178.8197      73.77778 40.39263 20.35960 34.84129 17.52116 5.551338       26.86083 
1 1 1 -18 20 20 o 116.0274 17.05039 171.1257       46.64597 320.0399      95.44247 124.3934       53.46655 142.4550 25.83304 89.59976 22.26021 52.85524       34.10077 
1 1 1 -18 20 21 o 69.16457 18.22128 72.06220       41.69640 61.09002      88.54517 75.18858       47.26498 69.40388 28.81278 68.92525 22.31332 0.4786224      36.44256 
1 1 1 -18 20 22 o 79.05730 19.03882 92.73657       40.56536 127.2805      96.00983 85.22982       44.75649 84.84145 31.51710 73.27313 21.36772 11.56832       38.07764 
1 1 1 -18 20 23 o 68.65523 18.87532 71.18377       43.76145 102.5230      93.30856 62.34665       49.54876 74.80181 30.13458 62.50864 22.73801 12.29317       37.75063 
1 1 1 -18 20 24 o 64.01966 18.98586 58.42254       47.75447 103.3039      100.6862 45.39612       54.24374 71.69068 30.30496 56.34864 22.87928 15.34204       37.97173 
1 1 1 -18 20 25 o 41.35947 14.18649 -41.06588      44.34407 -139.7929     101.1792 -17.59345      49.33467 42.94018 21.43598 39.77876 18.58829 3.161423       28.37297 
1 1 1 -18 20 26 o 53.56106 16.80137 55.23311       42.31301 70.49732      102.2845 52.08162       46.47623 55.31921 26.13414 51.80292 21.12230 3.516289       33.60275 
1 1 1 -18 22 1  o 76.64363 20.03259 90.67840       54.49385 97.45590      81.35307 85.16242       73.39219 78.59210 29.04820 74.69517 27.59383 3.896935       40.06517 
1 1 1 -18 22 2  f 208.1581 11.28249 622.2946       62.04000 589.0288      95.79905 646.3237       81.41992 202.0745 17.60623 214.2417 14.11378 -12.16718      22.56497 
1 1 1 -18 22 3  o 163.1173 13.89533 420.3745       60.92500 412.9888      88.04296 427.1608       84.39473 160.9090 20.32034 165.3255 18.95798 -4.416565      27.79066 
1 1 1 -18 22 4  o 92.45045 23.30807 111.6734       77.35275 163.4682      101.1513 38.72111       120.0460 104.7579 32.48544 80.14297 33.43292 24.61498       46.61614 
1 1 1 -18 22 5  o 206.1564 20.35489 586.4536       112.9924 586.4536      112.9924 0.000000       0.000000 206.1564 20.35489 ?        ?        ?              ?        
1 1 1 -18 22 6  o 145.4156 29.14437 308.6339       110.1419 308.6339      110.1419 0.000000       0.000000 145.4156 29.14437 ?        ?        ?              ?        
1 1 1 -18 22 7  o 68.33738 29.74767 -6.578790      102.4393 -6.578790     102.4393 0.000000       0.000000 68.33738 29.74767 ?        ?        ?              ?        
1 1 1 -18 22 8  o 206.9121 9.412664 526.2386       28.27972 661.4761      105.7256 515.8172       29.34912 218.3726 17.98038 195.4516 5.576638 22.92099       18.82533 
1 1 1 -18 22 9  o 94.97260 32.14155 -106.0398      33.91382 131.2191      97.79033 -138.4763      36.15782 94.97260 32.14155 ?        ?        ?              ?        
1 1 1 -18 22 10 o 72.24462 18.77124 23.67163       38.79521 142.7460      97.73589 1.401236       42.26772 98.84171 32.09428 45.64754 19.47807 53.19416       37.54248 
1 1 1 -18 22 11 o 112.3459 33.60726 186.5768       109.5591 186.5768      109.5591 0.000000       0.000000 112.3459 33.60726 ?        ?        ?              ?        
1 1 1 -18 22 12 o 260.0895 18.68758 929.8909       130.8758 929.8909      130.8758 0.000000       0.000000 260.0895 18.68758 ?        ?        ?              ?        
1 1 1 -18 22 13 o 446.0100 8.872859 2691.112       106.5594 0.000000      0.000000 2691.112       106.5594 ?        ?        446.0100 8.872859 ?              ?        
1 1 1 -18 22 14 o 74.01672 17.89627 56.73940       56.85829 -161.0721     109.5618 137.0224       66.51665 52.11938 25.25214 95.91405 25.36604 -43.79466      35.79255 
1 1 1 -18 22 15 o 47.16117 23.08578 -102.7612      98.36367 -102.7612     98.36367 0.000000       0.000000 47.16117 23.08578 ?        ?        ?              ?        
1 1 1 -18 22 16 o 123.0455 15.87253 186.5723       49.97349 440.2391      90.91066 76.73171       59.82249 173.8939 19.41543 72.19717 25.11552 101.6968       31.74505 
1 1 1 -18 22 17 o 54.35526 17.29528 -4.214124      48.87813 -2.322013     90.22324 -5.000119      58.15073 59.61038 26.81683 49.10013 21.84869 10.51025       34.59057 
1 1 1 -18 22 18 o 149.1678 13.50808 339.4745       49.93209 317.8423      87.37157 349.9662       60.84766 142.2602 22.80885 156.0753 14.47859 -13.81514      27.01617 
1 1 1 -18 22 19 o 48.28398 15.74149 -25.27312      42.37711 -4.327278     79.57698 -33.56442      50.06680 56.13479 25.22556 40.43317 18.83746 15.70162       31.48299 
1 1 1 -18 22 20 o 96.76448 14.31706 150.3549       36.09132 137.6585      49.75827 164.4502       52.42796 92.08152 20.58528 101.4474 19.90374 -9.365921      28.63412 
1 1 1 -18 22 21 o 56.88353 15.28726 44.00334       31.39182 30.32554      39.13956 68.66895       52.55980 49.56225 19.66775 64.20482 23.40899 -14.64257      30.57451 
1 1 1 -18 22 22 o 40.98103 13.18328 -5.349285      29.71415 -7.509683     35.89909 -0.6489004     52.95209 36.94379 16.73994 45.01828 20.37081 -8.074493      26.36656 
1 1 1 -18 22 23 o 48.17575 16.17778 -20.51143      43.90860 70.08518      95.24796 -44.96021      49.47984 60.66861 27.39867 35.68290 17.21032 24.98571       32.35556 
1 1 1 -18 22 24 o 44.60837 14.72885 7.532928       44.62248 -86.02521     96.02155 33.30280       50.39461 42.02556 20.96386 47.19118 20.69475 -5.165623      29.45770 
1 1 1 -18 24 1  o 74.26284 17.76296 96.61613       43.29359 123.5362      61.65655 70.43441       60.80511 82.87262 25.30682 65.65306 24.93302 17.21956       35.52592 
1 1 1 -18 24 2  o 94.83643 17.72537 155.5059       45.55490 165.8416      70.09006 147.9465       59.94234 96.51289 26.26762 93.15995 23.80688 3.352943       35.45074 
1 1 1 -18 24 3  o 122.4968 15.40974 238.8317       48.55160 206.8482      73.21925 263.9311       64.86244 111.7883 24.95634 133.2053 18.08374 -21.41705      30.81948 
1 1 1 -18 24 4  o 63.25854 17.91713 38.60276       49.07866 86.74692      70.38331 -6.961577      68.47159 74.18906 27.08282 52.32802 23.46519 21.86103       35.83426 
1 1 1 -18 24 5  o 53.01223 12.57654 38.30598       12.28616 -11.37598     71.16151 39.83243       12.47348 52.25082 23.63189 53.77364 8.614590 -1.522820      25.15308 
1 1 1 -18 24 6  o 96.50735 14.41941 170.6371       15.07579 109.4549      76.69341 173.0962       15.37578 80.09151 28.39202 112.9232 5.056742 -32.83169      28.83882 
1 1 1 -18 24 7  o 65.65321 14.21627 63.80420       17.07997 35.14240      80.30423 65.16222       17.47992 62.73320 26.81025 68.57323 9.466761 -5.840031      28.43254 
1 1 1 -18 24 8  o 71.73201 14.64003 80.67686       20.00299 53.02792      80.70885 82.48636       20.64717 66.42426 27.53644 77.03976 9.953190 -10.61549      29.28006 
1 1 1 -18 24 9  o 54.90684 15.25734 33.54558       21.32674 30.36723      78.80197 33.79678       22.15347 61.54368 26.43668 48.27000 15.23969 13.27368       30.51468 
1 1 1 -18 24 10 o 44.92101 14.76965 -17.34002      23.60186 33.41892      78.42207 -22.39550      24.74931 61.99993 26.49547 27.84209 13.05988 34.15784       29.53930 
1 1 1 -18 24 11 o 75.38080 18.09139 84.37757       35.66208 104.4111      91.85583 80.82198       38.69757 78.92141 30.47630 71.84019 19.50357 7.081215       36.18279 
1 1 1 -18 24 12 o 61.92687 16.72055 54.26417       36.01673 10.51109      85.02300 63.83253       39.76041 59.59955 26.47463 64.25420 20.43039 -4.654644      33.44110 
1 1 1 -18 24 13 o 62.81887 17.31288 22.46457       36.92491 119.8192      80.74889 -3.275148      41.52028 83.34321 29.16898 42.29453 18.65782 41.04868       34.62576 
1 1 1 -18 24 14 o 70.70863 16.31558 82.76411       37.07871 32.94570      72.33883 100.5170       43.18279 61.12455 25.75447 80.29272 20.03747 -19.16817      32.63116 
1 1 1 -18 24 15 o 56.34050 16.46696 32.16894       39.84384 -15.24520     79.90865 47.85749       45.96542 54.07924 24.68617 58.60175 21.79991 -4.522514      32.93392 
1 1 1 -18 24 16 o 60.21321 16.38176 51.57828       37.12858 65.25697      57.05108 41.52842       48.90144 64.40083 24.22169 56.02559 22.06259 8.375233       32.76352 
1 1 1 -18 24 17 o 83.84002 15.45069 123.2627       36.56224 85.43456      55.88304 151.5748       48.34571 70.24590 24.28366 97.43414 19.11017 -27.18825      30.90137 
1 1 1 -18 24 18 o 84.12440 16.20099 123.5707       37.37492 133.2076      57.36063 116.4607       49.26946 86.11507 23.89562 82.13372 21.88350 3.981354       32.40198 
1 1 1 -18 24 19 o 62.82234 16.75132 65.15944       38.72852 101.5931      61.02799 40.59373       50.11205 72.02720 25.34898 53.61748 21.90561 18.40972       33.50263 
1 1 1 -18 24 20 o 54.11981 15.78442 43.98961       39.47291 7.633622      60.12347 71.53181       52.33057 47.07244 21.45872 61.16719 23.15417 -14.09475      31.56884 
1 1 1 -18 24 21 o 33.06882 11.39648 -50.25338      33.02143 -35.98299     44.77195 -67.27606      48.89925 34.08298 16.42154 32.05466 15.80670 2.028320       22.79296 
1 1 1 -18 24 22 o 39.36180 12.54094 8.467840       28.44007 20.81679      35.51133 -13.61953      47.49239 41.23575 17.73099 37.48785 17.74014 3.747894       25.08188 
1 1 1 -18 26 1  o 48.45895 15.75350 13.10673       47.84828 50.15372      69.01647 -21.17939      66.39501 53.96475 23.91780 42.95314 20.50926 11.01162       31.50700 
1 1 1 -18 26 2  o 85.94499 17.54477 157.2922       49.17906 77.93121      70.16888 233.9124       68.94660 61.80553 25.65306 110.0845 23.94151 -48.27893      35.08953 
1 1 1 -18 26 3  o 85.61212 19.33375 161.1771       52.58394 122.8606      77.78323 193.4275       71.36099 73.80208 28.15857 97.42216 26.50038 -23.62009      38.66750 
1 1 1 -18 26 4  o 77.06718 14.02386 109.3505       19.79697 78.90276      75.08391 111.6254       20.52319 64.98990 26.71277 89.14447 8.550020 -24.15457      28.04773 
1 1 1 -18 26 5  o 53.76217 12.59004 44.15546       13.70216 -13.78088     78.46528 45.97777       13.91598 50.35643 23.50130 57.16791 9.040202 -6.811481      25.18008 
1 1 1 -18 26 6  o 70.98977 13.20368 97.15187       16.00198 24.69858      79.94834 100.1756       16.33248 56.82879 25.42848 85.15074 7.123284 -28.32195      26.40736 
1 1 1 -18 26 7  o 38.33665 12.98141 -3.428513      17.12497 -24.66767     75.59740 -2.279669      17.58202 48.98163 22.92760 27.69168 12.18168 21.28995       25.96283 
1 1 1 -18 26 8  o 76.72751 15.30382 81.74857       24.99780 135.6080      68.20257 73.39031       26.86754 84.29339 26.75318 69.16164 14.86925 15.13175       30.60763 
1 1 1 -18 26 9  o 60.32540 14.60472 61.30867       27.07543 23.70617      67.60101 68.49316       29.54901 54.78491 23.99815 65.86589 16.65173 -11.08098      29.20944 
1 1 1 -18 26 10 o 59.60227 16.15885 51.79112       30.96255 58.90845      73.06781 50.23338       34.18335 62.85232 26.14002 56.35223 19.00351 6.500092       32.31771 
1 1 1 -18 26 11 o 52.12704 13.47255 35.63475       25.31274 62.45325      39.13627 16.34718       33.18952 61.48218 20.32599 42.77190 17.68876 18.71028       26.94509 
1 1 1 -18 26 12 o 52.92869 14.65688 12.72076       30.95976 92.31391      56.44872 -21.52174      37.02533 71.00472 24.41420 34.85265 16.22477 36.15207       29.31376 
1 1 1 -18 26 13 o 65.05665 15.87798 51.94646       31.77920 137.4064      63.37979 23.24501       36.73003 84.31191 25.63844 45.80138 18.73795 38.51053       31.75595 
1 1 1 -18 26 14 o 68.34122 17.66779 33.70763       36.08929 212.6841      88.88085 -1.625483      39.49128 96.95578 30.51486 39.72665 17.81703 57.22913       35.33558 
1 1 1 -18 26 15 o 68.99966 17.14740 94.96834       38.40638 82.68348      80.63100 98.57354       43.67982 64.18754 27.12556 73.81178 20.98423 -9.624245      34.29481 
1 1 1 -18 26 16 o 46.77249 15.14300 11.00392       38.47489 5.619256      78.81660 12.68851       44.08437 50.01965 23.41259 43.52533 19.21178 6.494312       30.28600 
1 1 1 -18 26 17 o 43.18713 14.30954 -0.2419456     39.17757 -30.74922     78.84615 9.759491       45.14503 44.28172 21.44678 42.09253 18.94961 2.189190       28.61908 
1 1 1 -18 26 18 o 54.47099 16.35685 63.16666       39.31138 69.58237      80.44070 61.15365       45.05851 54.67227 24.88362 54.26970 21.23656 0.4025764      32.71370 
1 1 1 -18 28 5  o 49.59591 13.50772 39.57848       17.59559 42.49371      78.14280 39.42278       18.05937 50.35842 23.48570 48.83339 13.35125 1.525032       27.01544 
1 1 1 -18 28 6  o 68.88419 15.72559 87.06389       25.48557 147.1217      77.73051 79.83009       26.97678 69.17412 27.63201 68.59425 15.02160 0.5798645      31.45117 
1 1 1 -18 28 7  o 25.98366 12.06035 -10.33518      20.21907 -10.33518     20.21907 0.000000       0.000000 25.98366 12.06035 ?        ?        ?              ?        
1 1 1 -18 28 8  o 51.89112 11.43210 45.84113       17.60078 35.76365      22.75248 60.85826       27.77450 45.73135 15.50349 58.05089 16.80516 -12.31955      22.86420 
1 1 1 -18 28 9  o 46.34553 14.81147 14.93153       26.89443 89.66648      74.15711 3.613078       28.85921 58.25088 25.33349 34.44017 15.35359 23.81070       29.62293 
1 1 1 -18 28 10 o 43.31744 13.63227 22.28721       28.80043 -6.868466     70.63844 28.10012       31.54108 43.75622 20.96326 42.87867 17.43262 0.8775482      27.26453 
1 1 1 -18 28 11 o 44.65609 14.53291 14.79358       26.83847 65.21027      78.92845 8.202057       28.53904 53.74318 24.53336 35.56901 15.58642 18.17417       29.06583 
1 1 1 -18 28 12 o 43.64774 14.34434 13.22744       31.89625 33.82392      78.45920 9.149528       34.91133 49.33374 23.17677 37.96173 16.90791 11.37201       28.68867 
1 1 1 -17 1  1  o 156.2028 3.761028 329.1049       15.81784 328.9091      22.23275 329.3055       22.50941 156.1575 5.287459 156.2481 5.350149 -0.9065247E-01 7.522056 
1 1 1 -17 1  2  o 281.3999 3.715245 1067.010       28.14166 1093.689      40.43941 1041.957       39.18679 284.8071 5.273156 277.9927 5.235074 6.814362       7.430489 
1 1 1 -17 1  3  o 328.1929 4.023109 1452.448       35.55283 1454.247      50.30886 1450.654       50.24979 328.3959 5.689359 327.9899 5.689713 0.4059753      8.046219 
1 1 1 -17 1  4  o 379.9122 4.407211 1946.495       45.08434 1956.687      63.93676 1936.416       63.58247 380.9012 6.233829 378.9233 6.231645 1.977936       8.814422 
1 1 1 -17 1  5  o 453.1047 5.058221 2767.730       61.68983 2816.441      88.73754 2722.168       85.82073 456.9544 7.211925 449.2550 7.094404 7.699371       10.11644 
1 1 1 -17 1  6  o 782.5293 8.370062 8280.713       176.3636 8256.947      248.7870 8304.720       250.0494 781.4044 11.82411 783.6542 11.84999 -2.249756      16.74012 
1 1 1 -17 1  7  o 254.4318 3.422073 872.1489       23.44389 876.9879      33.31918 867.4042       32.99257 255.1303 4.850080 253.7332 4.828980 1.397049       6.844145 
1 1 1 -17 1  8  o 139.1388 3.601214 259.6368       13.41133 222.1669      18.34602 302.6422       19.65447 128.4027 5.306211 149.8749 4.870226 -21.47220      7.202428 
1 1 1 -17 1  9  o 103.9092 4.234403 145.4741       11.83775 137.4167      16.57187 153.8692       16.91564 100.9703 6.095290 106.8482 5.879467 -5.877861      8.468806 
1 1 1 -17 1  10 o 296.9205 3.610499 1187.913       28.86614 1187.492      40.88271 1188.332       40.76332 296.8676 5.114386 296.9734 5.097633 -0.1058044     7.220998 
1 1 1 -17 1  11 o 186.2208 3.276051 463.0444       16.34967 423.7636      21.87424 512.7683       24.61077 177.3533 4.580472 195.0883 4.685010 -17.73502      6.552103 
1 1 1 -17 1  12 o 300.7245 3.776262 1218.359       30.57025 1238.980      43.85378 1198.865       42.63761 303.1971 5.371536 298.2520 5.309164 4.945190       7.552525 
1 1 1 -17 1  13 f 368.7167 6.201556 1833.574       61.57110 0.000000      0.000000 1833.574       61.57110 ?        ?        368.7167 6.201556 ?              ?        
1 1 1 -17 1  14 o 437.5640 5.004058 2568.427       58.74134 2766.134      87.80714 2408.271       79.02998 452.6937 7.203474 422.4344 6.947831 30.25931       10.00812 
1 1 1 -17 1  15 o 384.6801 6.469501 1996.819       67.01221 0.000000      0.000000 1996.819       67.01221 ?        ?        384.6801 6.469501 ?              ?        
1 1 1 -17 1  16 o 237.8834 5.280728 763.3155       33.82528 0.000000      0.000000 763.3155       33.82528 ?        ?        237.8834 5.280728 ?              ?        
1 1 1 -17 1  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1  18 o 119.6971 6.239125 193.3661       20.10902 0.000000      0.000000 193.3661       20.10902 ?        ?        119.6971 6.239125 ?              ?        
1 1 1 -17 1  19 o 326.6591 4.015869 1438.072       35.26653 1454.619      51.47899 1423.438       48.41107 328.4150 5.821349 324.9030 5.533597 3.511993       8.031737 
1 1 1 -17 1  20 o 495.0521 5.485920 3307.988       73.12637 3281.172      103.3819 3334.840       103.4508 493.0395 7.787166 497.0647 7.729250 -4.025177      10.97184 
1 1 1 -17 1  21 f 384.8664 4.453954 1996.919       46.14268 2019.814      66.23451 1975.329       64.31884 387.0034 6.356034 382.7294 6.241127 4.273987       8.907908 
1 1 1 -17 1  22 o 183.0305 3.685075 451.7969       18.13122 444.8829      26.30129 458.0582       25.02883 181.6897 5.376053 184.3715 5.041543 -2.681808      7.370150 
1 1 1 -17 1  23 o 50.58149 9.665194 35.56972       15.04231 10.45710      22.29771 56.54391       20.37778 37.60373 14.86933 63.55925 12.35179 -25.95552      19.33039 
1 1 1 -17 1  24 o 177.8566 4.190919 426.3137       20.02644 388.3932      27.87286 466.7789       28.79287 169.6783 6.100590 186.0350 5.747869 -16.35670      8.381838 
1 1 1 -17 1  25 o 197.9491 4.147913 529.2316       22.09103 541.1974      30.85841 516.6526       31.63909 200.2577 5.722698 195.6405 6.005950 4.617172       8.295825 
1 1 1 -17 1  26 o 123.7695 5.963026 208.1814       19.80203 190.9863      28.30104 224.6739       27.71671 118.7076 8.854016 128.8314 7.989814 -10.12373      11.92605 
1 1 1 -17 1  27 o 123.6349 7.753829 210.1310       25.50111 173.7817      36.18181 246.0108       35.94736 112.7817 11.91429 134.4880 9.926590 -21.70625      15.50766 
1 1 1 -17 1  28 o 32.78394 11.12753 -58.81152      29.02361 -88.57750     41.52322 -30.37679      40.58406 29.00689 14.35220 36.56099 17.00888 -7.554102      22.25506 
1 1 1 -17 1  29 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1  30 o 63.74859 15.47950 61.23404       32.54858 46.79342      49.78501 72.01421       43.01485 59.44091 22.56392 68.05627 21.19738 -8.615353      30.95900 
1 1 1 -17 1  31 o 126.6362 9.334767 221.4226       31.22172 267.7943      50.54922 192.8209       39.69939 136.7241 13.73049 116.5484 12.65011 20.17573       18.66953 
1 1 1 -17 1  32 o 67.60834 23.07200 80.18849       50.39277 80.18849      50.39277 0.000000       0.000000 67.60834 23.07200 ?        ?        ?              ?        
1 1 1 -17 1  33 o 99.13722 14.39833 177.2740       37.15492 162.7829      52.14091 192.2232       52.95861 93.86799 21.13763 104.4065 19.55628 -10.53848      28.79666 
1 1 1 -17 3  1  o 46.17270 9.154485 29.72117       12.13809 38.21498      16.99507 20.87717       17.34187 51.98070 12.32876 40.36469 13.53588 11.61601       18.30897 
1 1 1 -17 3  2  o 29.99063 8.947397 0.6267774      12.39972 4.752533      18.23683 -2.920455      16.90995 32.16733 13.18673 27.81393 12.09685 4.353394       17.89479 
1 1 1 -17 3  3  o 215.4009 3.468112 625.2972       20.10979 620.1345      28.06853 630.7422       28.82564 214.4899 4.859923 216.3119 4.948975 -1.821930      6.936224 
1 1 1 -17 3  4  o 87.56964 5.536112 103.5826       13.02910 95.40994      18.27791 112.0256       18.57762 84.04846 8.076316 91.09082 7.574118 -7.042358      11.07222 
1 1 1 -17 3  5  o 182.3221 3.477716 447.5785       17.04255 441.3135      23.33860 454.7357       24.94513 180.9613 4.789671 183.6829 5.043519 -2.721573      6.955432 
1 1 1 -17 3  6  o 124.7668 3.985143 211.9850       13.18248 224.3302      17.50030 195.7918       20.04300 129.0236 5.037245 120.5099 6.176699 8.513634       7.970285 
1 1 1 -17 3  7  o 422.0515 4.717768 2400.718       53.59640 2438.144      77.02088 2365.580       74.62919 425.2342 6.726620 418.8687 6.616792 6.365570       9.435536 
1 1 1 -17 3  8  o 113.0917 4.155171 172.0258       12.63868 179.9234      18.42201 165.0031       17.37177 115.5379 5.921467 110.6455 5.830782 4.892334       8.310343 
1 1 1 -17 3  9  o 145.2523 3.484786 285.3358       13.56341 271.4121      19.89275 297.4323       18.54156 141.9220 5.205492 148.5827 4.634413 -6.660706      6.969572 
1 1 1 -17 3  10 o 527.6876 5.744196 3753.305       81.55795 3660.616      112.7287 3855.111       118.1424 520.8708 8.037501 534.5043 8.208637 -13.63342      11.48839 
1 1 1 -17 3  11 o 732.4100 7.853687 7253.206       154.8544 7338.192      221.6838 7172.217       216.4060 736.5778 11.17717 728.2422 11.03596 8.335571       15.70737 
1 1 1 -17 3  12 o 99.05458 5.432999 132.4438       14.46770 132.5038      19.90735 132.3766       21.06230 99.08562 7.461386 99.02354 7.899216 0.6208038E-01  10.86600 
1 1 1 -17 3  13 o 291.0186 3.759214 1131.348       29.18018 1070.659      38.30517 1215.263       45.04269 281.8244 5.047722 300.2127 5.572008 -18.38831      7.518429 
1 1 1 -17 3  14 o 299.0673 3.910284 1206.263       31.38114 1208.400      42.67058 1203.745       46.31201 299.3755 5.293330 298.7592 5.756904 0.6163330      7.820568 
1 1 1 -17 3  15 o 385.4583 6.300004 2005.094       65.38853 2005.094      65.38853 0.000000       0.000000 385.4583 6.300004 ?        ?        ?              ?        
1 1 1 -17 3  16 o 179.7827 5.492084 436.0242       26.58695 0.000000      0.000000 436.0242       26.58695 ?        ?        179.7827 5.492084 ?              ?        
1 1 1 -17 3  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3  18 o 281.8169 3.734467 1071.704       28.26740 1058.839      41.33652 1083.005       38.74178 280.2108 5.478551 283.4230 5.076462 -3.212189      7.468935 
1 1 1 -17 3  19 o 465.0160 5.229495 2919.605       65.46123 2888.653      93.40909 2949.477       91.76511 462.5763 7.499329 467.4557 7.290441 -4.879395      10.45899 
1 1 1 -17 3  20 o 410.6984 6.547611 2275.003       72.40845 0.000000      0.000000 2275.003       72.40845 ?        ?        410.6984 6.547611 ?              ?        
1 1 1 -17 3  21 o 193.2260 4.869112 503.1417       25.33370 0.000000      0.000000 503.1417       25.33370 ?        ?        193.2260 4.869112 ?              ?        
1 1 1 -17 3  22 o 474.6674 5.305735 3036.465       67.72897 3092.352      98.64265 2986.620       93.15887 478.7775 7.651517 470.5573 7.352386 8.220245       10.61147 
1 1 1 -17 3  23 o 346.4046 4.255241 1618.592       39.66801 1578.239      56.57964 1657.603       55.63048 342.1465 6.141362 350.6628 5.891688 -8.516296      8.510483 
1 1 1 -17 3  24 o 122.9128 5.534337 205.0234       17.87165 200.1527      28.41454 208.2113       22.98792 121.6473 8.674702 124.1784 6.874962 -2.531021      11.06867 
1 1 1 -17 3  25 o 161.0798 4.668930 356.0751       19.81966 318.8807      30.39945 383.5745       26.13900 153.5827 7.350894 168.5770 5.758471 -14.99435      9.337860 
1 1 1 -17 3  26 o 113.6705 6.558204 178.5867       19.67860 150.3161      29.25239 201.9566       26.59633 105.1971 10.32700 122.1439 8.086611 -16.94675      13.11641 
1 1 1 -17 3  27 o 196.6844 5.391797 524.0258       28.52277 557.8094      40.66622 491.3134       40.01620 202.9525 7.441422 190.4163 7.804559 12.53622       10.78359 
1 1 1 -17 3  28 o 115.0984 11.30806 194.6708       34.20572 225.9001      56.07675 176.1658       43.16633 121.2929 17.16976 108.9040 14.72034 12.38885       22.61613 
1 1 1 -17 3  29 o 136.0235 11.86563 241.6320       41.24047 388.5215      70.32095 164.6264       50.91556 165.2254 15.80609 106.8215 17.70143 58.40392       23.73127 
1 1 1 -17 3  30 o 70.60152 15.33977 81.15343       32.35805 61.75105      53.60736 92.27460       40.58564 64.46707 23.62033 76.73597 19.57842 -12.26890      30.67955 
1 1 1 -17 3  31 o 101.1503 12.62763 168.1616       30.97583 116.9761      50.54860 198.9404       39.19782 84.13266 22.04695 118.1678 12.31911 -34.03518      25.25527 
1 1 1 -17 3  32 o 39.34821 12.69733 -10.36577      29.58794 -10.98805     45.26224 -9.901429      39.09852 40.56800 18.54206 38.12841 17.35167 2.439583       25.39465 
1 1 1 -17 3  33 o 50.44819 14.05594 43.19601       28.99831 21.91144      49.09898 54.59755       35.93534 46.08763 20.31235 54.80874 19.43415 -8.721111      28.11187 
1 1 1 -17 5  1  o 199.4503 3.514554 536.3093       18.87283 548.0800      26.84560 524.8073       26.53750 201.6153 4.944999 197.2854 4.995532 4.329956       7.029108 
1 1 1 -17 5  2  o 118.7784 4.410504 190.7368       14.08382 180.4034      20.06656 200.7688       19.77177 115.5923 6.447046 121.9645 6.020448 -6.372215      8.821009 
1 1 1 -17 5  3  o 255.7608 3.595633 881.7281       24.75401 914.7436      35.32605 849.8773       34.69734 260.4668 5.036853 251.0548 5.132681 9.412018       7.191266 
1 1 1 -17 5  4  o 481.1968 5.362856 3126.062       69.47854 3169.283      99.19659 3084.440       97.34457 484.4573 7.604276 477.9363 7.564119 6.521027       10.72571 
1 1 1 -17 5  5  o 182.7160 3.444813 450.1672       16.87592 451.8198      22.85743 448.1870       25.02139 183.0949 4.636261 182.3372 5.096275 0.7576599      6.889625 
1 1 1 -17 5  6  o 223.2661 3.323889 671.7287       19.97416 668.2826      27.81297 675.3990       28.70354 222.6780 4.638597 223.8542 4.761971 -1.176224      6.647778 
1 1 1 -17 5  7  o 184.9506 3.333920 460.8828       16.59812 465.5005      23.81942 456.5241       23.14182 185.8491 4.759785 184.0520 4.669533 1.797058       6.667840 
1 1 1 -17 5  8  o 275.5384 3.582109 1021.810       26.52724 1046.488      38.90566 1000.370       36.26387 278.6355 5.185528 272.4412 4.943312 6.194275       7.164218 
1 1 1 -17 5  9  o 141.4338 3.793353 270.3533       14.19625 265.8077      22.14361 273.5253       18.49774 140.4048 5.857109 142.4628 4.822073 -2.058060      7.586706 
1 1 1 -17 5  10 o 66.40611 7.884387 60.43125       13.43159 61.76302      21.53898 59.58383       17.18149 66.42741 12.50063 66.38480 9.611891 0.4261780E-01  15.76877 
1 1 1 -17 5  11 o 321.9105 3.929650 1392.836       33.99787 1468.918      49.99638 1327.394       46.36878 330.0559 5.625585 313.7651 5.488297 16.29074       7.859301 
1 1 1 -17 5  12 o 241.5007 3.455484 784.3120       22.35253 769.0106      29.97818 803.4702       33.54403 238.8671 4.660855 244.1343 5.102735 -5.267197      6.910967 
1 1 1 -17 5  13 o 379.1522 4.389586 1934.714       44.68624 1881.873      60.60076 1997.686       66.15577 373.5137 6.025432 384.7906 6.384984 -11.27695      8.779172 
1 1 1 -17 5  14 o 202.0327 3.444006 538.8574       18.16579 506.4463      22.73917 596.0303       30.20107 193.8395 4.356612 210.2259 5.335226 -16.38632      6.888012 
1 1 1 -17 5  15 o 237.6331 3.463337 760.0795       22.08974 744.6754      29.92967 778.5101       32.73813 235.0064 4.729757 240.2597 5.060455 -5.253326      6.926673 
1 1 1 -17 5  16 o 27.44658 8.452211 -5.086171      12.15534 3.913481      16.46161 -15.87652      18.02508 30.38563 12.50076 24.50754 11.37939 5.878082       16.90442 
1 1 1 -17 5  17 o 268.6478 3.713727 973.1016       26.85956 999.4090      38.27391 947.5732       37.70283 272.2272 5.221410 265.0683 5.282418 7.158936       7.427454 
1 1 1 -17 5  18 o 232.4933 3.685998 729.6688       23.02013 714.1348      33.53522 743.5113       31.65668 230.1378 5.411654 234.8489 5.006030 -4.711136      7.371996 
1 1 1 -17 5  19 o 176.7891 3.864486 424.2326       17.95573 407.5060      28.39737 435.3747       23.17701 173.8395 6.066614 179.7388 4.788861 -5.899307      7.728971 
1 1 1 -17 5  20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5  21 o 289.6518 5.167425 1130.622       40.30267 0.000000      0.000000 1130.622       40.30267 ?        ?        289.6518 5.167425 ?              ?        
1 1 1 -17 5  22 o 110.8204 6.297649 163.7302       17.26905 171.0509      31.70588 160.6424       20.59138 112.5014 10.46643 109.1395 7.006807 3.361900       12.59530 
1 1 1 -17 5  23 o 42.76686 11.35282 17.60795       16.22273 21.95323      30.93957 15.96034       19.05169 47.14397 17.81380 38.38976 14.07888 8.754211       22.70565 
1 1 1 -17 5  24 o 44.58909 11.15312 23.96466       16.43510 19.02704      27.57880 26.68387       20.46625 44.15578 16.78619 45.02240 14.68985 -0.8666115     22.30623 
1 1 1 -17 5  25 o 103.4481 8.652101 149.8903       20.32582 138.1828      41.26225 153.6414       23.35616 100.3582 15.26920 106.5380 8.141669 -6.179794      17.30420 
1 1 1 -17 5  26 o 142.2739 7.327397 298.1743       25.06408 218.0746      43.43146 338.1711       30.69033 126.4068 12.76000 158.1409 7.207321 -31.73414      14.65479 
1 1 1 -17 5  27 o 90.96323 13.48584 116.4911       30.76518 129.9018      52.44673 109.4556       37.98743 94.36103 21.16325 87.56541 16.72090 6.795616       26.97168 
1 1 1 -17 5  28 o 88.72246 17.75745 98.72720       44.63820 175.9352      75.82404 57.77594       55.22165 109.4668 26.09322 67.97811 24.09258 41.48869       35.51491 
1 1 1 -17 5  29 o 75.82933 16.28694 85.92613       34.49575 119.0094      60.75502 70.18674       41.90561 84.56412 24.96295 67.09454 20.92629 17.46957       32.57389 
1 1 1 -17 5  30 o 218.0127 6.266519 659.8736       35.73389 637.6183      57.23250 674.0922       45.74619 214.3144 9.917631 221.7110 7.662744 -7.396576      12.53304 
1 1 1 -17 5  31 o 48.09842 14.05132 21.87490       29.64455 7.568237      48.06850 30.65604       37.65885 46.52877 20.31264 49.66806 19.42049 -3.139290      28.10265 
1 1 1 -17 5  32 o 74.63931 13.41705 101.3805       30.26714 49.20580      48.75941 134.0874       38.60540 55.82698 22.01583 93.45164 15.34185 -37.62467      26.83410 
1 1 1 -17 5  33 o 39.57204 12.86680 -6.250597      33.09706 -44.62841     49.24040 25.37714       44.70082 34.35488 16.71059 44.78920 19.56974 -10.43433      25.73361 
1 1 1 -17 7  1  o 64.40694 7.849309 58.61194       12.96226 49.23833      19.65814 65.82254       17.24149 59.07107 12.73401 69.74281 9.181042 -10.67174      15.69862 
1 1 1 -17 7  2  o 124.8392 4.266492 209.7717       14.29735 216.8447      21.20669 203.8779       19.35849 126.7547 6.213343 122.9237 5.848607 3.831039       8.532985 
1 1 1 -17 7  3  o 309.4144 3.925825 1289.820       32.66874 1260.627      44.91739 1322.606       47.60042 305.7122 5.456553 313.1167 5.645744 -7.404541      7.851649 
1 1 1 -17 7  4  o 98.13696 4.909118 129.5204       12.86564 125.8776      17.02705 134.3676       19.64120 96.55337 6.549206 99.72057 7.314756 -3.167198      9.818236 
1 1 1 -17 7  5  o 149.9657 3.666111 305.4225       14.66893 322.9003      19.81934 284.2500       21.81379 154.7628 4.755972 145.1687 5.580521 9.594086       7.332222 
1 1 1 -17 7  6  o 234.1985 3.394948 739.3654       21.40903 742.9152      30.34655 735.8481       30.20782 234.7581 4.800708 233.6388 4.801655 1.119324       6.789896 
1 1 1 -17 7  7  o 390.0255 4.516193 2052.509       47.42705 2038.095      67.25536 2066.768       66.89008 388.6581 6.426520 391.3928 6.346956 -2.734711      9.032387 
1 1 1 -17 7  8  o 396.2529 4.571834 2118.208       48.75100 2127.253      70.24453 2109.803       67.71375 397.0550 6.570199 395.4508 6.359179 1.604187       9.143668 
1 1 1 -17 7  9  o 326.3790 3.956377 1436.569       34.76741 1419.495      49.23139 1453.557       49.10592 324.4404 5.635387 328.3176 5.554645 -3.877167      7.912754 
1 1 1 -17 7  10 o 292.8813 3.694401 1156.449       29.12722 1153.052      40.68841 1160.019       41.71499 292.4449 5.167058 293.3178 5.281658 -0.8729858     7.388802 
1 1 1 -17 7  11 o 148.8205 3.542715 302.0080       13.86833 316.2486      18.04125 281.4388       21.68255 153.1823 4.373957 144.4587 5.574210 8.723663       7.085430 
1 1 1 -17 7  12 o 75.06581 6.146378 80.36791       11.53943 89.87798      14.45364 63.65030       19.16340 81.59795 6.578314 68.53368 10.38449 13.06427       12.29276 
1 1 1 -17 7  13 o 161.0623 3.421278 352.3163       14.72850 390.0979      20.46451 311.7159       21.21420 170.1036 4.467911 152.0210 5.182504 18.08255       6.842556 
1 1 1 -17 7  14 o 386.9016 4.452435 2019.399       46.37346 2058.473      66.51299 1982.439       64.68900 390.5376 6.324995 383.2655 6.268265 7.272156       8.904870 
1 1 1 -17 7  15 o 160.5147 3.461348 346.6974       14.94418 364.7767      21.74660 330.5201       20.57090 164.4705 4.910435 156.5589 4.879689 7.911575       6.922697 
1 1 1 -17 7  16 o 70.58185 7.203792 71.50586       12.62541 47.01505      18.26519 93.91401       17.47131 57.78788 12.12501 83.37581 7.782194 -25.58792      14.40758 
1 1 1 -17 7  17 o 433.3651 5.019482 2533.963       58.55835 2489.357      81.70934 2581.065       83.96474 429.4507 7.066021 437.2794 7.131068 -7.828644      10.03896 
1 1 1 -17 7  18 f 540.4111 6.020530 3938.795       87.49743 4046.731      127.5998 3842.998       120.2106 547.3611 8.657507 533.4611 8.368672 13.90002       12.04106 
1 1 1 -17 7  19 o 330.5048 4.310022 1476.020       38.25880 1420.589      55.47578 1526.296       52.83313 324.5531 6.347961 336.4565 5.831685 -11.90341      8.620044 
1 1 1 -17 7  20 o 662.7064 7.220214 5924.678       128.5671 6093.882      189.1096 5779.259       175.3155 671.4258 10.46001 653.9869 9.955612 17.43890       14.44043 
1 1 1 -17 7  21 o 202.1464 4.313867 549.5824       22.14338 554.6886      38.41777 547.0421       27.09734 202.8054 7.035083 201.4874 4.994538 1.317993       8.627734 
1 1 1 -17 7  22 o 378.6882 6.094750 1815.841       51.52782 2154.766      114.1371 1729.081       57.74760 399.2404 10.61717 358.1359 5.988287 41.10452       12.18950 
1 1 1 -17 7  23 o 88.35408 13.14167 122.3725       19.58705 89.38991      59.98465 126.3089       20.72297 80.03911 25.04860 96.66904 7.961250 -16.62994      26.28334 
1 1 1 -17 7  24 o 121.7011 9.544355 208.0947       22.05310 193.7216      56.53164 210.6746       23.95067 118.5506 17.70943 124.8517 7.124262 -6.301109      19.08871 
1 1 1 -17 7  25 o 147.5700 7.952744 302.4284       23.69883 287.0150      56.67076 305.6952       26.08963 144.7195 14.54282 150.4206 6.441357 -5.701035      15.90549 
1 1 1 -17 7  26 o 213.5012 7.233190 696.1821       35.59538 459.9238      63.66292 803.6312       42.93333 183.2332 12.90324 243.7692 6.540824 -60.53593      14.46638 
1 1 1 -17 7  27 o 45.39394 13.99367 -8.506668      34.39111 -69.66696     59.30424 22.48289       42.21421 40.26023 19.26713 50.52764 20.29948 -10.26741      27.98734 
1 1 1 -17 7  28 o 278.7643 12.93187 1058.891       97.06926 0.000000      0.000000 1058.891       97.06926 ?        ?        278.7643 12.93187 ?              ?        
1 1 1 -17 7  29 f 46.38237 13.74481 10.86541       29.37630 -5.892427     44.71209 23.59328       38.96672 43.56305 19.28216 49.20169 19.59279 -5.638634      27.48962 
1 1 1 -17 7  30 o 101.8455 10.25799 147.4924       27.80513 156.8601      43.18403 140.8586       36.34039 104.1938 15.39210 99.49724 13.56423 4.696548       20.51597 
1 1 1 -17 7  31 o 61.61090 15.25593 61.35874       30.14250 61.22064      53.52464 61.42287       36.47652 61.76391 23.40797 61.45789 19.57141 0.3060226      30.51185 
1 1 1 -17 7  32 o 69.94443 15.71788 88.95330       32.29243 115.2855      53.94104 74.24433       40.31503 76.11411 23.74232 63.77475 20.60363 12.33936       31.43577 
1 1 1 -17 7  33 o 75.83845 15.09254 122.6120       32.23519 112.6638      55.16478 127.7702       39.72266 68.20819 24.09024 83.46870 18.18791 -15.26051      30.18509 
1 1 1 -17 9  1  o 126.3891 4.248111 219.0352       14.21762 183.9780      20.87328 249.3773       19.41891 116.7730 6.638421 136.0052 5.302562 -19.23225      8.496222 
1 1 1 -17 9  2  o 382.1552 4.526641 1970.277       46.57901 1959.479      65.61709 1981.245       66.13127 381.1006 6.394312 383.2096 6.408953 -2.108978      9.053282 
1 1 1 -17 9  3  o 43.83546 8.423401 27.29021       10.95407 39.24139      14.71232 12.42359       16.40899 52.86258 10.70304 34.80834 13.00998 18.05424       16.84680 
1 1 1 -17 9  4  o 339.3199 4.143101 1553.936       37.84752 1563.505      53.11168 1544.063       53.94706 340.3900 5.794684 338.2497 5.923071 2.140320       8.286201 
1 1 1 -17 9  5  o 216.0085 3.468699 627.2647       20.14394 675.1307      29.36613 584.7256       27.68390 223.7707 4.873715 208.2462 4.937041 15.52449       6.937397 
1 1 1 -17 9  6  o 152.0046 3.657939 312.8638       14.90450 293.9623      21.70638 329.7251       20.50148 147.6288 5.460509 156.3805 4.868769 -8.751770      7.315878 
1 1 1 -17 9  7  o 198.3258 4.931261 539.6996       22.36895 515.1003      45.45570 547.5604       25.69560 195.1286 8.651354 201.5230 4.735334 -6.394455      9.862521 
1 1 1 -17 9  8  o 194.8063 3.388355 511.7970       17.76523 514.7660      24.78699 508.6609       25.47479 195.3923 4.711215 194.2203 4.871163 1.172012       6.776709 
1 1 1 -17 9  9  o 330.0993 4.013804 1470.213       35.67505 1487.424      50.48232 1453.042       50.42202 332.0330 5.646439 328.1657 5.706156 3.867310       8.027608 
1 1 1 -17 9  10 o 302.7914 3.814907 1233.795       30.99217 1204.624      41.87634 1269.122       46.08429 298.8631 5.203711 306.7198 5.579916 -7.856781      7.629815 
1 1 1 -17 9  11 o 182.5753 3.317571 450.1443       16.22426 457.2104      21.94848 441.6322       24.08986 184.1711 4.425880 180.9796 4.943350 3.191544       6.635143 
1 1 1 -17 9  12 o 92.93208 4.510123 116.4658       11.23725 115.5154      15.17346 117.6201       16.72306 92.52281 6.090492 93.34135 6.653625 -0.8185349     9.020246 
1 1 1 -17 9  13 o 465.9852 5.176255 2934.197       64.94841 2920.054      91.75259 2948.401       91.94957 464.8574 7.330190 467.1129 7.310456 -2.255463      10.35251 
1 1 1 -17 9  14 o 181.9016 4.931506 446.1169       24.15458 446.1169      24.15458 0.000000       0.000000 181.9016 4.931506 ?        ?        ?              ?        
1 1 1 -17 9  15 o 181.0981 3.571500 441.1662       17.26676 449.3398      26.30164 434.9755       22.89004 182.5546 5.350650 179.6416 4.732124 2.912994       7.143001 
1 1 1 -17 9  16 o 268.9876 5.701644 975.6245       41.29675 975.6245      41.29675 0.000000       0.000000 268.9876 5.701644 ?        ?        ?              ?        
1 1 1 -17 9  17 o 334.9337 4.237925 1512.350       38.18816 1518.933      55.20702 1506.309       52.88049 335.6227 6.108853 334.2447 5.875537 1.377960       8.475849 
1 1 1 -17 9  18 o 319.9602 4.203467 1381.212       36.18234 1357.228      52.01454 1403.698       50.36446 317.2556 6.088805 322.6649 5.796811 -5.409241      8.406935 
1 1 1 -17 9  19 o 261.5881 5.368347 926.2637       32.96105 916.9083      65.08552 929.4907       38.22533 260.5629 9.276589 262.6134 5.405689 -2.050446      10.73669 
1 1 1 -17 9  20 o 92.34366 11.08216 105.8500       19.80498 136.9223      51.60243 100.4823       21.44751 98.42263 20.14949 86.26469 9.233375 12.15794       22.16433 
1 1 1 -17 9  21 o 120.2789 9.188178 180.8342       20.25859 217.4313      57.78463 175.7056       21.63155 126.4211 16.97499 114.1367 7.038484 12.28442       18.37636 
1 1 1 -17 9  22 o 292.2288 6.163966 1182.448       39.22548 1108.181      84.92164 1202.591       44.22609 285.8582 11.03276 298.5994 5.500551 -12.74118      12.32793 
1 1 1 -17 9  23 o 172.2285 7.700398 419.1083       24.89396 380.0791      64.35526 425.9758       26.99542 166.7860 14.32983 177.6709 5.642743 -10.88490      15.40080 
1 1 1 -17 9  24 o 202.4260 6.936323 586.4775       27.85074 511.6432      66.63813 602.3157       30.65660 193.6009 12.78298 211.2512 5.389413 -17.65028      13.87265 
1 1 1 -17 9  25 o 30.76519 15.58920 -138.5528      26.00601 -227.4059     65.20486 -121.7454      28.35919 30.76519 15.58920 ?        ?        ?              ?        
1 1 1 -17 9  26 o 68.32266 14.96245 71.59550       31.44350 5.981369      66.82395 90.25440       35.63498 57.40012 24.49196 79.24521 17.19429 -21.84509      29.92490 
1 1 1 -17 9  27 o 431.4272 13.23198 2532.678       153.7148 2532.678      153.7148 0.000000       0.000000 431.4272 13.23198 ?        ?        ?              ?        
1 1 1 -17 9  28 o 42.62767 13.03169 -25.24904      33.07668 -122.5532     54.68910 30.87471       41.53445 32.49471 16.14581 52.76064 20.46002 -20.26593      26.06338 
1 1 1 -17 9  29 o 80.06091 12.79035 105.6056       27.67508 60.28476      44.71770 133.7404       35.23324 63.18380 21.72951 96.93803 13.49817 -33.75423      25.58070 
1 1 1 -17 9  30 o 39.02155 12.52608 -10.42780      27.98257 -27.07913     47.58438 -1.625502      34.59697 39.46378 18.37871 38.57933 17.02450 0.8844490      25.05215 
1 1 1 -17 9  31 o 52.13527 13.98581 38.93781       30.94752 -22.95364     56.76143 65.11872       36.91734 42.44624 19.86800 61.82430 19.68944 -19.37806      27.97162 
1 1 1 -17 9  32 o 73.18002 15.42761 117.2726       34.23570 89.99361      62.52155 128.9551       40.91500 61.64207 24.72552 84.71797 18.45786 -23.07590      30.85521 
1 1 1 -17 11 1  o 432.4266 4.999107 2521.803       58.18964 2563.657      83.59859 2482.468       81.04591 435.8988 7.122459 428.9545 7.016757 6.944244       9.998215 
1 1 1 -17 11 2  o 85.32974 5.252384 98.16943       12.04879 106.1782      17.31013 90.64252       16.78129 88.70745 7.246975 81.95203 7.604703 6.755417       10.50477 
1 1 1 -17 11 3  o 261.3975 3.680891 920.7784       25.90137 951.2140      36.95298 891.3838       36.31549 265.6449 5.166121 257.1501 5.244715 8.494751       7.361783 
1 1 1 -17 11 4  o 122.8552 4.281192 203.0683       14.02021 200.0404      18.49452 207.1594       21.49784 121.7963 5.639307 123.9142 6.443031 -2.117958      8.562385 
1 1 1 -17 11 5  o 217.1307 3.615830 631.4003       21.06902 582.0425      28.43441 691.4918       31.37422 207.7849 5.082142 226.4765 5.144777 -18.69156      7.231659 
1 1 1 -17 11 6  o 168.8792 3.328013 384.4662       15.12551 385.6676      21.06526 383.1875       21.73172 169.1550 4.624861 168.6034 4.786789 0.5515442      6.656026 
1 1 1 -17 11 7  o 199.7183 3.333440 537.9378       17.90285 572.8867      25.43029 503.5970       25.20807 206.1594 4.581047 193.2771 4.843685 12.88232       6.666879 
1 1 1 -17 11 8  o 77.61867 5.693121 80.23022       11.12695 78.15018      13.44176 84.75840       19.83275 76.09286 6.560379 79.14448 9.306339 -3.051613      11.38624 
1 1 1 -17 11 9  o 114.4030 7.299195 176.7543       22.48515 0.000000      0.000000 176.7543       22.48515 ?        ?        114.4030 7.299195 ?              ?        
1 1 1 -17 11 10 o 131.1559 3.963277 240.8254       13.47145 283.6366      17.94308 185.5172       20.39451 145.0612 4.593699 117.2506 6.459737 27.81060       7.926555 
1 1 1 -17 11 11 o 256.3988 3.590000 885.4697       24.64207 893.7271      36.96624 878.8658       33.05855 257.4558 5.332357 255.3418 4.808156 2.114014       7.180000 
1 1 1 -17 11 12 o 40.38856 8.219740 23.17686       10.52701 4.446779      17.15910 34.48100       13.33040 31.21613 12.79332 49.56099 10.32412 -18.34485      16.43948 
1 1 1 -17 11 13 o 137.0313 3.852582 250.2952       13.62820 263.2114      23.05228 243.3556       16.89722 139.6910 6.128612 134.3716 4.670084 5.319412       7.705165 
1 1 1 -17 11 14 o 199.4967 5.487894 536.5436       29.47981 536.5436      29.47981 0.000000       0.000000 199.4967 5.487894 ?        ?        ?              ?        
1 1 1 -17 11 15 o 357.3208 5.978388 1721.565       57.52092 0.000000      0.000000 1721.565       57.52092 ?        ?        357.3208 5.978388 ?              ?        
1 1 1 -17 11 16 o 87.27061 9.942058 104.9930       17.67359 105.6720      40.73269 104.8355       19.61629 86.42680 18.08377 88.11442 8.267736 -1.687614      19.88412 
1 1 1 -17 11 17 o 333.3418 6.405677 1498.057       57.42781 1449.208      78.90556 1553.075       83.74027 327.5869 8.945356 339.0967 9.171226 -11.50983      12.81135 
1 1 1 -17 11 18 o 418.0228 6.129354 2365.318       64.52473 2339.883      113.1871 2377.563       78.53592 416.1609 10.10072 419.8846 6.946323 -3.723755      12.25871 
1 1 1 -17 11 19 o 79.95113 12.25652 83.50575       20.74763 96.85130      49.56739 80.67088       22.84521 82.65875 21.91453 77.24349 10.98373 5.415260       24.51304 
1 1 1 -17 11 20 o 182.7568 6.270926 448.3861       25.92518 455.7820      54.38913 446.2117       29.49102 183.5838 11.00257 181.9297 6.020086 1.654068       12.54185 
1 1 1 -17 11 21 o 151.4370 9.368629 342.1555       24.76822 273.5600      67.31921 352.8948       26.63660 141.1638 17.71056 161.7102 6.117275 -20.54639      18.73726 
1 1 1 -17 11 22 o 50.10802 14.30308 22.28857       21.82241 -12.27450     67.83327 26.27863       23.04764 54.60448 23.97619 45.61155 15.60304 8.992928       28.60616 
1 1 1 -17 11 23 o 68.91501 13.25909 79.11023       22.13646 7.203270      64.55805 88.69119       23.56511 57.06907 24.20303 80.76094 10.83639 -23.69187      26.51818 
1 1 1 -17 11 24 o ?        ?        -194.5742      25.99879 -303.2510     63.34550 -172.5590      28.51080 ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 25 o 37.62646 12.86386 -48.15345      30.70238 -108.2490     72.88329 -35.18850      33.85262 42.99815 20.77530 32.25478 15.17572 10.74337       25.72772 
1 1 1 -17 11 26 o 72.94156 14.32120 64.17178       45.81775 -243.8543     97.01308 152.6024       51.98018 42.34002 21.11292 103.5431 19.35539 -61.20309      28.64239 
1 1 1 -17 11 27 o 74.06378 12.59708 97.37035       38.28325 -99.01540     72.64523 172.8807       45.04590 40.49953 19.82796 107.6280 15.54342 -67.12850      25.19416 
1 1 1 -17 11 28 o 45.85441 13.69164 12.94958       28.01448 2.184067      49.24953 18.09913       34.06193 46.77317 20.48617 44.93565 18.17034 1.837517       27.38329 
1 1 1 -17 11 29 o 40.39574 12.35325 -6.248414      27.77289 -75.08555     49.54340 25.29621       33.53800 33.96592 16.57435 46.82557 18.32217 -12.85965      24.70650 
1 1 1 -17 11 30 o 73.94777 15.23084 90.29233       29.74929 107.2386      57.27342 84.03078       34.81422 76.03992 24.55676 71.85563 18.02442 4.184288       30.46169 
1 1 1 -17 11 31 o 40.71835 13.33071 -7.492869      32.12280 9.511709      56.54942 -15.59393      39.03157 45.81654 20.85711 35.62016 16.60759 10.19638       26.66142 
1 1 1 -17 11 32 o 58.54082 16.30760 77.02712       35.71622 93.35717      68.69546 70.97750       41.81178 59.19416 25.02767 57.88747 20.91333 1.306694       32.61520 
1 1 1 -17 13 1  o 106.4221 3.986435 152.9151       11.38112 149.2814      16.72218 156.0509       15.53409 105.2367 5.901227 107.6075 5.361173 -2.370834      7.972870 
1 1 1 -17 13 2  o 179.0378 3.263327 431.5508       15.72557 444.4964      22.63868 419.4799       21.86037 181.6300 4.628924 176.4457 4.601116 5.184296       6.526654 
1 1 1 -17 13 3  o 101.9593 4.552764 138.7324       12.41643 152.8667      18.93900 128.0778       16.44326 106.4617 6.606635 97.45690 6.266021 9.004784       9.105529 
1 1 1 -17 13 4  o 225.5265 3.539396 685.4094       21.48996 680.5837      30.07152 690.4460       30.72171 224.7170 4.969766 226.3359 5.040905 -1.618896      7.078792 
1 1 1 -17 13 5  o 144.1745 3.201997 282.7123       12.14711 293.4094      15.76600 267.0871       19.05472 147.5762 3.967543 140.7728 5.026902 6.803436       6.403994 
1 1 1 -17 13 6  o 250.9883 3.496967 848.7187       23.59798 844.0000      32.45150 854.0138       34.37684 250.2549 4.815804 251.7217 5.071798 -1.466827      6.993934 
1 1 1 -17 13 7  o 507.2945 5.710879 3474.355       77.98822 3473.426      111.5882 3475.243       109.0399 507.2118 8.170442 507.3772 7.981257 -0.1653748     11.42176 
1 1 1 -17 13 8  o 397.6992 4.709308 2132.955       50.42371 2085.521      70.74413 2181.936       71.88945 393.2036 6.681740 402.1949 6.638122 -8.991272      9.418615 
1 1 1 -17 13 9  o 175.4992 5.061441 415.1238       23.91843 415.1238      23.91843 0.000000       0.000000 175.4992 5.061441 ?        ?        ?              ?        
1 1 1 -17 13 10 o 295.7156 3.821494 1180.085       30.38046 1152.382      43.91930 1205.503       42.06931 292.3721 5.578740 299.0591 5.224263 -6.686951      7.642987 
1 1 1 -17 13 11 o 393.2224 4.568506 2081.419       48.20096 2131.097      71.59260 2040.229       65.18935 397.4810 6.689110 388.9637 6.224211 8.517365       9.137012 
1 1 1 -17 13 12 o 286.7973 5.231193 1131.320       34.73578 1067.959      69.15131 1152.703       40.17163 281.1500 9.134378 292.4447 5.101434 -11.29474      10.46239 
1 1 1 -17 13 13 o 321.3445 5.296685 1367.834       39.71781 1445.333      80.39199 1342.809       45.68246 327.0693 9.128293 315.6196 5.375293 11.44974       10.59337 
1 1 1 -17 13 14 o 235.8068 5.248362 758.2933       27.66730 735.9091      58.34024 764.7883       31.42599 233.3904 9.283288 238.2232 4.899159 -4.832840      10.49672 
1 1 1 -17 13 15 o 46.47990 11.70691 26.92109       15.87431 -1.918381     42.62239 31.56574       17.10490 45.43369 19.47753 47.52612 12.99356 -2.092438      23.41381 
1 1 1 -17 13 16 o 211.5739 5.714536 638.8428       30.67195 468.4964      47.97869 756.5758       39.88697 186.2508 9.566804 236.8970 6.252996 -50.64618      11.42907 
1 1 1 -17 13 17 o 458.5332 6.542069 2824.053       74.83394 2879.473      134.6080 2799.263       90.02874 461.5172 10.83178 455.5491 7.339434 5.968140       13.08414 
1 1 1 -17 13 18 o 334.3574 5.547685 1530.622       46.52930 1446.631      81.24580 1571.614       56.75922 327.2896 9.219032 341.4251 6.173871 -14.13550      11.09537 
1 1 1 -17 13 19 f 88.84571 12.25223 130.3073       22.93144 76.53358      49.49251 145.0069       25.87658 74.15439 22.67860 103.5370 9.281706 -29.38264      24.50447 
1 1 1 -17 13 20 o 133.1598 8.590854 225.7362       26.43583 271.4053      55.81012 212.5255       30.01684 140.9996 14.69981 125.3199 8.895319 15.67970       17.18171 
1 1 1 -17 13 21 o 159.6972 9.044390 344.7485       38.51858 369.7464      59.48000 326.6933       50.54998 164.5328 13.42565 154.8617 12.12254 9.671082       18.08878 
1 1 1 -17 13 22 o 46.76234 14.24307 -3.229845      24.98423 23.80637      60.54976 -8.777507      27.42802 59.50283 24.16816 34.02185 15.07846 25.48098       28.48614 
1 1 1 -17 13 23 o 46.71709 14.15559 6.600514       28.71633 -50.44805     66.64469 19.60723       31.82197 47.28896 21.93034 46.14522 17.90482 1.143745       28.31117 
1 1 1 -17 13 24 o 104.0962 15.17669 225.2776       34.15127 35.09755      86.33415 260.5566       37.18418 69.82532 28.66570 138.3671 9.980261 -68.54182      30.35338 
1 1 1 -17 13 25 o 189.9797 23.75863 503.0676       121.5379 503.0676      121.5379 0.000000       0.000000 189.9797 23.75863 ?        ?        ?              ?        
1 1 1 -17 13 26 o 49.92566 14.58094 6.824308       38.46484 -117.8443     72.48756 55.68721       45.38105 39.34556 19.37144 60.50575 21.79822 -21.16019      29.16188 
1 1 1 -17 13 27 o 66.70862 13.09762 72.75900       30.80209 -13.72538     52.69095 117.6568       37.96466 44.89376 20.31694 88.52348 16.53520 -43.62973      26.19524 
1 1 1 -17 13 28 o 54.66571 15.12302 28.51028       28.99012 68.44057      57.56303 14.94073       33.55638 66.04361 24.42970 43.28781 17.83293 22.75580       30.24605 
1 1 1 -17 13 29 o 65.99076 17.11456 54.16768       31.53677 131.5023      77.30228 38.72631       34.54204 80.65251 28.51375 51.32901 18.93672 29.32350       34.22913 
1 1 1 -17 13 30 o 41.65935 13.28657 2.166175       31.81009 -92.79509     73.99036 23.69792       35.23234 39.11182 19.31599 44.20688 18.24896 -5.095062      26.57314 
1 1 1 -17 13 31 o 39.51677 13.56888 -26.88713      36.82236 20.17331      73.99292 -42.37816      42.45241 47.27466 22.30128 31.75889 15.46323 15.51578       27.13777 
1 1 1 -17 15 1  o 468.1490 6.800831 2961.285       79.86562 2961.734      96.75093 2960.324       141.4962 468.5028 7.669367 467.7952 11.23326 0.7076721      13.60166 
1 1 1 -17 15 2  o 311.3343 5.452904 1332.012       41.48467 1367.374      49.58464 1249.512       75.73681 318.4957 5.781762 304.1729 9.247047 14.32285       10.90581 
1 1 1 -17 15 3  o 114.4541 7.897944 212.4451       12.56641 219.7661      13.17752 138.9600       41.74928 127.7297 3.831408 101.1786 15.32418 26.55116       15.79589 
1 1 1 -17 15 4  o 210.4289 3.313534 596.3727       18.73625 592.9940      25.65066 600.2373       27.43318 209.7950 4.540670 211.0627 4.827044 -1.267715      6.627069 
1 1 1 -17 15 5  o 279.8815 3.716967 1055.132       28.00538 1031.206      39.09717 1080.343       40.13437 276.6249 5.248928 283.1380 5.264231 -6.513062      7.433933 
1 1 1 -17 15 6  o 227.0788 6.594705 696.7167       40.10360 692.6183      59.82787 700.0609       54.04248 226.4354 9.812412 227.7222 8.813462 -1.286789      13.18941 
1 1 1 -17 15 7  o 164.0895 6.142329 368.6556       22.06059 354.5734      47.77543 372.4720       24.87082 161.9402 10.95637 166.2389 5.556151 -4.298721      12.28466 
1 1 1 -17 15 8  o 278.2019 5.474437 1011.863       32.02809 1096.703      75.34424 993.1508       35.38425 284.9170 9.820831 271.4867 4.840364 13.43030       10.94887 
1 1 1 -17 15 9  o 433.6857 6.174483 2566.547       62.70478 2483.420      123.5199 2595.407       72.78017 428.6072 10.70272 438.7642 6.160253 -10.15695      12.34897 
1 1 1 -17 15 10 o 352.3924 5.739957 1702.958       48.84151 1613.871      91.19965 1738.783       57.83437 345.6383 9.799138 359.1465 5.980411 -13.50818      11.47991 
1 1 1 -17 15 11 o 255.8184 5.193981 897.6726       30.20155 854.8289      61.90694 911.0544       34.59809 251.6140 9.137369 260.0229 4.941482 -8.408905      10.38796 
1 1 1 -17 15 12 o 339.6841 5.478693 1586.902       45.48706 1483.712      82.93730 1631.295       54.39849 331.4803 9.291992 347.8878 5.807165 -16.40756      10.95739 
1 1 1 -17 15 13 o 188.2889 5.591072 459.9377       21.05775 506.2491      52.98899 451.2523       22.94757 193.5692 10.16637 183.0086 4.656739 10.56062       11.18214 
1 1 1 -17 15 14 o 211.5268 5.227180 570.8143       23.82528 659.1409      55.07793 550.4820       26.42560 220.9312 9.258428 202.1224 4.855423 18.80878       10.45436 
1 1 1 -17 15 15 o 84.83440 11.12303 107.4767       18.33870 87.92133      44.38995 111.5012       20.13752 78.77604 20.66851 90.89276 8.227980 -12.11672      22.24605 
1 1 1 -17 15 16 o 236.5390 5.370856 735.3346       28.44561 790.6404      61.37859 720.2067       32.10111 241.9115 9.422735 231.1666 5.157172 10.74492       10.74171 
1 1 1 -17 15 17 o 197.6442 5.733433 528.0203       26.13005 528.0930      53.09728 527.9971       30.01628 197.4476 9.987046 197.8408 5.634528 -0.3932190     11.46687 
1 1 1 -17 15 18 o 76.52084 12.75730 82.79139       23.36947 77.86477      47.69144 84.34814       26.80863 74.30187 22.16111 78.73982 12.64436 -4.437950      25.51460 
1 1 1 -17 15 19 o 395.7074 6.154454 2150.476       58.60425 2053.938      110.1961 2188.547       69.20192 388.8827 10.52359 402.5321 6.384607 -13.64941      12.30891 
1 1 1 -17 15 20 o 544.2949 7.561950 3925.152       94.25365 4224.396      196.7465 3836.020       107.3771 556.0782 13.13977 532.5116 7.488578 23.56659       15.12390 
1 1 1 -17 15 21 o 51.27596 23.37681 -110.0918      30.23116 -38.97849     71.36998 -125.6410      33.37300 51.27596 23.37681 ?        ?        ?              ?        
1 1 1 -17 15 22 o 240.6773 7.782612 786.0909       39.88814 795.7537      90.55832 783.7649       44.43036 240.6687 13.97415 240.6859 6.855603 -0.1727295E-01 15.56522 
1 1 1 -17 15 23 f 42.02632 14.16659 -33.96185      39.74251 -130.5130     91.60989 -11.57794      44.10943 43.63369 21.53869 40.41894 18.40797 3.214752       28.33317 
1 1 1 -17 15 24 o 756.6942 17.77177 7864.856       362.1049 7864.856      362.1049 0.000000       0.000000 756.6942 17.77177 ?        ?        ?              ?        
1 1 1 -17 15 25 o 56.22546 16.22129 27.46410       34.18298 28.57006      71.01028 27.13052       38.99888 61.55562 25.69913 50.89530 19.80090 10.66032       32.44258 
1 1 1 -17 15 26 o 53.55717 15.56881 21.49382       32.45404 50.14170      62.91564 11.10738       37.88313 62.72073 24.92124 44.39362 18.66770 18.32711       31.13762 
1 1 1 -17 15 27 o 68.47411 17.00607 67.18162       30.86126 97.23895      80.09969 61.94195       33.44316 74.31098 28.52170 62.63723 18.52939 11.67376       34.01214 
1 1 1 -17 15 28 o 49.76432 15.27346 23.79494       30.75247 -22.29863     88.24813 30.16606       32.80904 52.07027 24.49986 47.45837 18.24475 4.611900       30.54691 
1 1 1 -17 15 29 o 59.10791 15.19080 67.72942       31.33932 15.35948      82.58202 76.54041       33.87322 51.97946 24.20884 66.23636 18.35686 -14.25690      30.38161 
1 1 1 -17 15 30 f 40.80859 14.19220 -36.41670      41.09133 32.90349      86.67803 -56.51204      46.66882 49.85368 23.69995 31.76352 15.62008 18.09016       28.38440 
1 1 1 -17 17 1  o 161.7034 9.289521 355.5192       40.38071 383.0172      58.97607 331.2505       55.40497 167.5816 13.06971 155.8252 13.20467 11.75642       18.57904 
1 1 1 -17 17 2  o 260.3589 7.184338 919.3291       50.33411 898.7615      71.94986 939.0428       70.44048 257.4674 10.37826 263.2503 9.937336 -5.782959      14.36868 
1 1 1 -17 17 3  o 379.3337 7.360563 1946.761       75.03835 2007.236      110.2030 1894.485       102.4600 384.7593 10.63705 373.9082 10.17668 10.85110       14.72113 
1 1 1 -17 17 4  o 312.8441 5.833841 1353.453       43.76747 1254.605      82.12177 1392.669       51.72594 304.3931 10.01936 321.2951 5.978894 -16.90201      11.66768 
1 1 1 -17 17 5  o 341.4574 5.507125 1613.903       41.05182 1505.625      88.51106 1643.579       46.33714 333.7038 9.850379 349.2110 4.927855 -15.50717      11.01425 
1 1 1 -17 17 6  o 384.4258 5.883145 1939.624       47.62004 2084.683      111.6074 1907.338       52.65344 392.6579 10.55590 376.1937 5.197947 16.46423       11.76629 
1 1 1 -17 17 7  o 491.1501 6.691776 3235.285       73.62483 3300.334      156.7281 3216.866       83.39985 493.8514 11.78602 488.4489 6.341073 5.402557       13.38355 
1 1 1 -17 17 8  o 65.22710 11.84715 53.40520       11.79420 59.79158      48.22960 52.99900       12.16350 67.77168 22.57178 62.68253 7.206572 5.089142       23.69430 
1 1 1 -17 17 9  o 337.4460 5.520018 1513.912       39.17228 1572.834      91.21468 1500.588       43.37583 341.1817 9.928776 333.7103 4.827195 7.471405       11.04004 
1 1 1 -17 17 10 o 382.8972 5.875509 1913.672       47.36531 2084.802      111.3819 1875.893       52.33300 392.7074 10.53325 373.0870 5.209333 19.62042       11.75102 
1 1 1 -17 17 11 o 196.9536 6.109366 513.2593       22.09945 538.2939      60.94896 509.4699       23.71315 199.4566 11.34840 194.4507 4.528939 5.005920       12.21873 
1 1 1 -17 17 12 o 419.8808 6.043462 2320.921       55.91304 2487.838      123.2411 2277.660       62.74183 428.7542 10.67490 411.0073 5.669232 17.74692       12.08692 
1 1 1 -17 17 13 o 410.9571 5.964131 2262.492       55.46195 2322.032      116.5488 2245.063       63.05961 413.9574 10.45607 407.9567 5.740554 6.000732       11.92826 
1 1 1 -17 17 14 o 134.7566 8.357245 263.4644       24.05584 218.8995      51.64066 275.8151       27.18562 126.6054 15.14803 142.9077 7.064806 -16.30230      16.71449 
1 1 1 -17 17 15 o 180.4722 6.262254 407.7073       25.86590 505.1241      55.76588 381.0044       29.19651 192.9543 10.73324 167.9901 6.454521 24.96419       12.52451 
1 1 1 -17 17 16 o 526.0390 7.123641 3706.811       86.42986 3848.391      177.0701 3662.528       99.02805 531.5090 12.37232 520.5690 7.064746 10.94006       14.24728 
1 1 1 -17 17 17 o 454.6731 6.551968 2756.928       68.63002 2893.442      141.2280 2714.724       78.52535 461.0979 11.37481 448.2484 6.505907 12.84955       13.10394 
1 1 1 -17 17 18 o 285.1622 6.141998 1098.027       39.73809 1108.290      82.81506 1094.958       45.29304 285.5514 10.77064 284.7729 5.906762 0.7785339      12.28400 
1 1 1 -17 17 19 o 347.7411 7.007320 1601.492       59.54805 1743.566      112.6805 1546.439       70.14294 357.5286 11.70455 337.9536 7.708031 19.57495       14.01464 
1 1 1 -17 17 20 o 72.00858 17.81329 51.02638       37.22173 114.0259      79.28820 33.21772       42.15563 88.71303 28.91210 55.30412 20.81691 33.40891       35.62658 
1 1 1 -17 17 21 o 57.66659 17.96667 -20.25025      49.07151 71.35041      94.82840 -53.74991      57.34681 74.27384 30.21514 41.05934 19.44865 33.21450       35.93334 
1 1 1 -17 17 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 17 23 o 49.06750 16.49109 -42.27367      58.82304 -117.1992     106.5263 -9.405628      70.55521 48.30860 23.72456 49.82640 22.91221 -1.517803      32.98218 
1 1 1 -17 17 24 o 45.18663 14.84347 -31.09849      40.32244 -17.30985     70.71366 -37.74208      49.08445 51.15245 23.30057 39.22081 18.39560 11.93164       29.68694 
1 1 1 -17 17 25 o 67.49458 17.51299 64.31682       37.54430 74.67079      76.76064 61.06098       43.04439 71.46010 27.78582 63.52908 21.32528 7.931023       35.02598 
1 1 1 -17 17 26 o 52.28017 17.10763 3.089588       41.34912 -11.44617     114.2272 5.281533       44.35735 60.07000 28.13868 44.49033 19.46531 15.57967       34.21525 
1 1 1 -17 17 27 o 54.84915 17.29877 29.86115       43.92202 14.85657      106.2577 32.95316       48.23571 58.36372 27.27526 51.33459 21.28497 7.029129       34.59754 
1 1 1 -17 17 28 f 80.98594 14.65094 165.3172       42.59086 -12.74119     108.1703 197.9863       46.33358 51.14109 24.85058 110.8308 15.52573 -59.68970      29.30187 
1 1 1 -17 17 29 o 43.93216 14.87450 4.987482       41.43801 -9.622961     103.1947 7.796218       45.24609 47.36942 23.28101 40.49490 18.52018 6.874519       29.74899 
1 1 1 -17 19 1  o 246.9616 8.901652 837.3182       58.86796 786.7750      86.20621 881.4813       80.58183 239.7162 13.35543 254.2070 11.77243 -14.49088      17.80330 
1 1 1 -17 19 2  o 237.5799 7.870528 768.3498       50.30101 739.0817      71.70349 796.7099       70.58250 233.0568 11.42602 242.1030 10.82713 -9.046158      15.74106 
1 1 1 -17 19 3  o 233.6762 7.590891 742.2360       47.74672 715.9073      67.08130 769.2714       67.97572 229.4508 10.85747 237.9016 10.61141 -8.450821      15.18178 
1 1 1 -17 19 4  o 207.6680 6.163686 544.1259       23.48565 641.2139      66.60260 530.3393       25.09781 217.0484 11.39597 198.2876 4.700639 18.76080       12.32737 
1 1 1 -17 19 5  o 290.3936 5.647910 1153.788       31.84526 1123.112      80.58548 1159.465       34.66692 287.5559 10.40761 293.2314 4.390575 -5.675507      11.29582 
1 1 1 -17 19 6  o 192.7353 6.090434 524.9299       18.50504 476.4005      58.54679 530.3162       19.50496 187.1075 11.62060 198.3630 3.651749 -11.25549      12.18087 
1 1 1 -17 19 7  o 320.9116 5.598705 1374.468       35.78508 1421.474      89.11522 1365.431       39.07381 323.6181 10.22670 318.2050 4.560319 5.413055       11.19741 
1 1 1 -17 19 8  o 223.5230 5.852736 683.4230       22.60494 666.7594      65.69176 685.6611       24.07520 221.5100 11.01372 225.5361 3.964336 -4.026047      11.70547 
1 1 1 -17 19 9  o 183.7063 7.093956 521.5854       20.91956 381.9478      61.12759 540.1093       22.26392 167.2516 13.57324 200.1609 4.130846 -32.90935      14.18791 
1 1 1 -17 19 10 o 74.82671 12.67021 51.12338       17.25307 130.5009      55.10115 42.49514       18.16658 94.88171 21.99588 54.77172 12.58246 40.10999       25.34043 
1 1 1 -17 19 11 o 156.5129 7.347415 309.9301       19.98497 363.5085      60.27967 303.3137       21.18304 163.0944 13.72614 149.9314 5.247014 13.16302       14.69483 
1 1 1 -17 19 12 o 276.5976 5.718716 1023.148       31.96879 1054.505      78.09605 1016.835       35.03904 278.6280 10.40929 274.5672 4.739365 4.060822       11.43743 
1 1 1 -17 19 13 o 102.6908 11.75922 136.4583       22.84700 165.0143      60.00550 131.6166       24.70804 106.8699 21.59524 98.51175 9.314657 8.358185       23.51844 
1 1 1 -17 19 14 f 223.0910 6.203652 640.9102       27.77654 725.8834      69.99609 625.0281       30.26123 230.9663 11.25491 215.2158 5.221906 15.75050       12.40730 
1 1 1 -17 19 15 o 36.96160 12.44013 -30.50648      21.82853 -21.84082     58.31906 -31.91830      23.53963 48.46715 21.70031 25.45605 12.17060 23.01110       24.88025 
1 1 1 -17 19 16 o 38.97817 13.38297 -110.6981      37.26761 -25.12301     67.75810 -147.8132      44.62341 51.87813 23.29748 26.07821 13.17737 25.79992       26.76594 
1 1 1 -17 19 17 o 291.3000 7.577051 1152.141       55.57207 1168.215      98.01939 1144.527       67.46211 292.1764 12.45901 290.4237 8.626696 1.752655       15.15410 
1 1 1 -17 19 18 o 153.8347 12.17170 297.7343       47.38406 426.5639      87.28632 243.9060       56.42138 174.8229 18.54234 132.8465 15.77285 41.97633       24.34340 
1 1 1 -17 19 19 o 96.17805 20.00347 157.6236       52.36201 160.6531      98.83540 156.4415       61.73827 93.92887 32.30465 98.42725 23.60011 -4.498375      40.00694 
1 1 1 -17 19 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 19 21 o 39.28839 13.98117 -145.7501      53.68857 -245.2655     114.9824 -118.0043      60.71342 43.93039 22.06202 34.64640 17.18021 9.283993       27.96233 
1 1 1 -17 19 22 o 59.31784 18.30562 5.218040       41.84137 81.20542      102.2784 -10.05504      45.85392 75.78040 31.16602 42.85529 19.21097 32.92510       36.61123 
1 1 1 -17 19 23 o 51.85716 16.90443 -19.83751      40.51056 23.59214      97.64594 -28.86665      44.52298 65.14326 28.68112 38.57106 17.90063 26.57220       33.80886 
1 1 1 -17 19 24 o 60.31236 17.88028 -13.89646      41.03940 148.9474      96.13027 -50.19054      45.38291 85.70539 31.59573 34.91932 16.74894 50.78608       35.76055 
1 1 1 -17 19 25 o 60.92162 17.33995 58.82478       43.22451 -3.679493     98.59573 73.69604       48.09247 56.51205 26.36403 65.33118 22.53073 -8.819134      34.67990 
1 1 1 -17 19 26 o 51.38814 16.03817 29.46990       42.23550 -34.37702     94.96662 45.21217       47.15575 49.47728 23.85832 53.29900 21.43996 -3.821716      32.07633 
1 1 1 -17 19 27 o 66.07998 17.80661 106.3242       41.18002 131.8571      93.39103 100.1617       45.88120 63.64360 28.03381 68.51636 21.96376 -4.872761      35.61322 
1 1 1 -17 21 1  o 150.2123 17.46662 328.4745       68.44228 284.6168      97.21416 371.5786       96.37529 138.3142 27.07151 162.1103 22.07861 -23.79611      34.93325 
1 1 1 -17 21 2  o 67.40471 19.21266 65.88502       53.63971 68.38084      73.28290 63.00472       78.72515 67.69564 26.89679 67.11377 27.44209 0.5818710      38.42533 
1 1 1 -17 21 3  o 108.3593 17.13558 179.3846       52.63069 77.84998      76.57137 270.3103       72.46071 77.79839 28.27143 138.9202 19.37108 -61.12180      34.27116 
1 1 1 -17 21 4  o 114.4800 12.11833 177.2409       17.15983 193.2193      70.30408 176.2287       17.69502 114.7444 23.54382 114.2157 5.753631 0.5287094      24.23666 
1 1 1 -17 21 5  o 176.3516 8.931530 439.0417       22.48026 409.9175      79.59130 441.5665       23.43443 171.8231 17.20286 180.8800 4.811500 -9.056900      17.86306 
1 1 1 -17 21 6  o 259.2567 7.318490 970.6500       37.85034 832.7766      89.42488 1000.741       41.77713 246.3451 13.48128 272.1683 5.700562 -25.82314      14.63698 
1 1 1 -17 21 7  o 258.5148 7.398498 974.0880       39.10656 811.8102      88.84978 1013.079       43.55200 243.2184 13.56677 273.8112 5.907088 -30.59286      14.79700 
1 1 1 -17 21 8  o 258.5916 6.689356 893.2549       30.48674 929.2845      87.88627 888.3263       32.50510 260.6099 12.52411 256.5732 4.704971 4.036774       13.37871 
1 1 1 -17 21 9  o 216.2082 7.459711 637.7264       34.64154 634.7443      77.45467 638.4722       38.73119 215.1425 13.37020 217.2739 6.620181 -2.131439      14.91942 
1 1 1 -17 21 10 o 242.6644 7.185703 739.5809       30.66786 886.6476      91.63827 721.0322       32.54443 254.2410 13.38591 231.0878 5.230176 23.15326       14.37141 
1 1 1 -17 21 11 o 107.6626 14.29046 195.6044       24.78996 127.2165      73.30553 204.4352       26.34193 92.51216 27.44847 122.8131 7.965619 -30.30093      28.58093 
1 1 1 -17 21 12 o 388.0067 7.124882 2021.066       66.63150 2110.849      127.7282 1987.497       78.10059 392.9526 12.07156 383.0607 7.571874 9.891937       14.24976 
1 1 1 -17 21 13 o 82.61952 17.37744 92.88009       36.59774 109.7734      77.47274 88.02730       41.52290 87.38161 28.58410 77.85743 19.76993 9.524185       34.75487 
1 1 1 -17 21 14 o 78.16454 17.82191 88.13792       40.62980 71.42616      77.94596 94.37267       47.60931 76.11779 28.37380 80.21130 21.57334 -4.093506      35.64382 
1 1 1 -17 21 15 f 210.6406 9.740614 666.1008       48.50773 612.3235      91.30170 687.2504       57.25723 200.1248 16.94316 221.1564 9.614959 -21.03159      19.48123 
1 1 1 -17 21 16 o 41.22197 20.66501 -272.5249      98.67085 -272.5249     98.67085 0.000000       0.000000 41.22197 20.66501 ?        ?        ?              ?        
1 1 1 -17 21 17 o 346.9602 14.60766 1642.900       136.4720 1642.900      136.4720 0.000000       0.000000 346.9602 14.60766 ?        ?        ?              ?        
1 1 1 -17 21 18 f 52.67601 17.23408 -2.717296      54.83386 -43.49650     105.0132 12.56915       64.29510 53.76090 25.70398 51.59112 22.96431 2.169777       34.46816 
1 1 1 -17 21 19 o 68.55809 18.44963 63.49307       47.06721 6.229020      94.47218 82.39986       54.28400 63.59830 28.09527 73.51788 23.92094 -9.919582      36.89927 
1 1 1 -17 21 20 o 72.66883 18.28831 71.09344       39.10990 124.4662      82.66301 55.70044       44.39285 84.07359 29.50772 61.26408 21.61350 22.80951       36.57662 
1 1 1 -17 21 21 o 50.63153 15.89627 -7.488849      36.11337 38.44235      76.52097 -20.65049      40.96204 63.02225 26.51777 38.24081 17.53778 24.78145       31.79255 
1 1 1 -17 21 22 o 61.07485 15.50540 56.78456       36.57492 0.7700958     60.75173 88.62920       45.80645 49.39882 22.13068 72.75089 21.72334 -23.35208      31.01081 
1 1 1 -17 21 23 f 43.76302 14.07053 -8.197693      36.46211 -20.92153     53.58371 2.774502       49.75888 42.27468 19.62594 45.25136 20.16785 -2.976681      28.14107 
1 1 1 -17 21 24 f 60.24339 16.59161 66.20569       38.63633 71.21110      57.21886 62.01090       52.38113 61.58075 23.97709 58.90602 22.93959 2.674732       33.18322 
1 1 1 -17 21 25 o 46.17384 14.26528 25.14746       33.76569 7.664354      45.68304 46.19995       50.12997 41.43586 18.81784 50.91182 21.44484 -9.475960      28.53055 
1 1 1 -17 23 1  o 141.1433 13.21130 295.6612       49.98584 260.8774      68.03245 336.4675       73.68697 131.8127 19.16794 150.4740 18.18636 -18.66130      26.42260 
1 1 1 -17 23 2  o 77.29578 17.22551 46.83395       55.29642 193.0718      78.46380 -97.46060      77.94071 109.6688 26.79838 44.92276 21.64993 64.74604       34.45102 
1 1 1 -17 23 3  o 76.76245 20.69074 88.95456       60.28376 56.84059      82.40171 125.9348       88.42482 68.26548 28.01295 85.25941 30.45819 -16.99393      41.38148 
1 1 1 -17 23 4  f 107.0844 15.12909 193.2210       24.77221 169.0634      81.72373 195.6652       25.99523 95.10226 29.15160 119.0666 8.108124 -23.96432      30.25818 
1 1 1 -17 23 5  o 69.32240 29.70246 -87.19209      23.01960 12.37126      99.02145 -92.88016      23.66803 69.32240 29.70246 ?        ?        ?              ?        
1 1 1 -17 23 6  o 220.0924 12.77926 901.0255       46.64423 387.1294      110.0680 1013.516       51.49694 166.2578 24.58645 273.9270 6.981732 -107.6692      25.55852 
1 1 1 -17 23 7  o 370.1413 14.67297 1868.636       146.2410 1868.636      146.2410 0.000000       0.000000 370.1413 14.67297 ?        ?        ?              ?        
1 1 1 -17 23 8  o 194.4770 20.93225 522.5170       109.6143 522.5170      109.6143 0.000000       0.000000 194.4770 20.93225 ?        ?        ?              ?        
1 1 1 -17 23 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 23 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 23 11 o 117.7171 33.74040 207.0544       112.4621 207.0544      112.4621 0.000000       0.000000 117.7171 33.74040 ?        ?        ?              ?        
1 1 1 -17 23 12 o 105.9609 18.62642 176.0972       48.77940 136.2851      101.3275 188.1069       55.65253 95.91293 32.71642 116.0090 17.81599 -20.09602      37.25284 
1 1 1 -17 23 13 o 53.63772 17.06120 4.475097       43.36521 47.35104      90.78004 -8.201623      49.36135 63.79969 27.88183 43.47575 19.67084 20.32394       34.12241 
1 1 1 -17 23 14 o 38.56512 13.63260 -138.7442      43.45190 -62.25361     82.19183 -168.4147      51.19028 49.67761 23.45608 27.45264 13.89976 22.22497       27.26520 
1 1 1 -17 23 15 o 60.38025 15.85747 37.49890       41.76389 -85.32519     79.32216 84.60593       49.12422 46.54819 22.27805 74.21230 22.57268 -27.66411      31.71494 
1 1 1 -17 23 16 o 129.6610 14.84763 268.8509       43.57111 239.4655      82.47813 280.2262       51.31607 119.1667 26.39915 140.1553 13.59754 -20.98866      29.69526 
1 1 1 -17 23 17 o 72.34668 18.13958 53.08068       42.88372 159.2653      82.70752 14.03757       50.15179 94.63778 29.37940 50.05558 21.28448 44.58220       36.27917 
1 1 1 -17 23 18 o 58.98415 17.44289 31.52566       42.40803 42.81017      80.72021 27.22352       49.84058 64.60274 27.21201 53.36557 21.82942 11.23716       34.88577 
1 1 1 -17 23 19 o 75.84475 18.18130 89.80564       41.48072 145.0867      76.21154 66.53511       49.44650 87.53302 28.33344 64.15648 22.79158 23.37654       36.36261 
1 1 1 -17 23 20 o 82.01683 18.02499 122.4881       42.64779 127.5184      74.95399 120.0799       51.86106 80.77368 28.11222 83.25999 22.56775 -2.486305      36.04997 
1 1 1 -17 23 21 o 51.93223 15.16804 21.94268       41.24300 -87.09322     74.43284 70.25105       49.54399 40.96145 20.05758 62.90301 22.75898 -21.94156      30.33607 
1 1 1 -17 23 22 f 46.20307 15.33429 -4.557210      42.26152 10.24291      84.18070 -9.544338      48.86582 51.69197 24.19562 40.71418 18.84500 10.97779       30.66858 
1 1 1 -17 23 23 o 39.08785 13.57269 -38.43775      42.40273 -49.78250     86.78561 -34.88026      48.59842 42.96918 21.16334 35.20651 16.99956 7.762672       27.14539 
1 1 1 -17 25 1  o 78.12436 17.80347 111.1306       43.28994 91.01868      62.18363 130.0439       60.30215 71.34085 25.53605 84.90786 24.81459 -13.56701      35.60694 
1 1 1 -17 25 2  o 50.30885 15.76204 3.101274       43.25499 -23.83276     62.02291 28.60598       60.35478 45.67284 21.17216 54.94487 23.35611 -9.272030      31.52409 
1 1 1 -17 25 3  o 75.26939 18.97967 98.96519       48.86935 111.4614      68.02543 85.63763       70.25172 79.11420 26.80723 71.42457 26.87534 7.689636       37.95934 
1 1 1 -17 25 4  o 72.68112 15.36573 72.88690       21.81129 86.91226      79.23902 71.73711       22.68772 73.97893 28.37428 71.38331 11.80350 2.595619       30.73145 
1 1 1 -17 25 5  o 96.53764 14.57127 115.2417       15.99545 181.3574      80.85062 112.5485       16.31798 102.2500 28.36844 90.82524 6.672315 11.42479       29.14255 
1 1 1 -17 25 6  o 48.98599 13.85565 26.60416       16.96737 -18.77110     76.97629 28.92137       17.39521 53.19344 24.26131 44.77855 13.39048 8.414890       27.71129 
1 1 1 -17 25 7  o 54.75578 14.62478 41.08146       27.19492 -41.99007     79.55900 52.07179       28.93800 50.70580 23.66441 58.80577 17.19105 -8.099976      29.24955 
1 1 1 -17 25 8  o 95.84927 14.40505 143.8199       28.52716 137.0205      68.24179 145.2598       31.40260 89.86553 26.43608 101.8330 11.45232 -11.96748      28.81011 
1 1 1 -17 25 9  o 90.78528 14.67385 110.7745       29.41892 167.6306      66.99072 97.18990       32.74539 100.6999 24.85637 80.87066 15.60283 19.82923       29.34770 
1 1 1 -17 25 10 o 53.74588 15.28445 32.61580       29.72497 -5.229715     73.71832 39.96378       32.48270 54.22291 24.32897 53.26884 18.50835 0.9540672      30.56890 
1 1 1 -17 25 11 o 75.47048 17.43406 67.56927       33.74996 149.9949      78.83563 49.07286       37.34523 92.88702 28.65840 58.05394 19.86156 34.83308       34.86811 
1 1 1 -17 25 12 o 80.46275 16.61016 112.1640       35.46120 66.85645      85.67060 121.5318       38.95504 70.74740 28.74292 90.17811 16.65634 -19.43071      33.22031 
1 1 1 -17 25 13 o 68.04784 15.99536 77.54242       34.27842 26.08517      76.38331 90.51894       38.35785 59.89029 25.87813 76.20539 18.80768 -16.31510      31.99073 
1 1 1 -17 25 14 o 64.77436 17.06144 65.55769       37.16342 53.05172      77.48975 69.29341       42.35186 64.07264 26.80618 65.47608 21.11398 -1.403442      34.12289 
1 1 1 -17 25 15 o 120.4746 15.13921 264.2807       39.66582 175.9332      76.35756 296.9330       46.42068 96.84134 27.81490 144.1079 11.96301 -47.26653      30.27841 
1 1 1 -17 25 16 o 96.55576 16.25733 137.1496       38.74536 236.7804      74.68960 100.4673       45.32019 115.9944 24.67201 77.11708 21.17771 38.87734       32.51467 
1 1 1 -17 25 17 o 76.20262 17.18344 107.3594       38.35697 106.0762      71.63430 107.8753       45.41632 73.27495 27.22313 79.13029 20.97579 -5.855339      34.36687 
1 1 1 -17 25 18 f 58.88124 16.04830 59.92549       39.66376 0.4449058     72.57656 85.25630       47.36236 49.83309 23.03075 67.92939 22.35569 -18.09630      32.09661 
1 1 1 -17 25 19 o 44.08698 14.34576 -2.145036      39.95834 -64.68772     75.58997 22.10946       47.07301 41.71416 20.38085 46.45981 20.19466 -4.745647      28.69152 
1 1 1 -17 25 20 o 54.11764 16.79738 53.94772       42.69973 94.32987      81.71609 38.78009       50.08084 59.53102 26.22264 48.70425 20.99957 10.82677       33.59477 
1 1 1 -17 25 21 o 52.49823 16.53855 47.51525       40.24517 106.6875      85.34573 30.59505       45.63789 59.52011 26.47803 45.47635 19.82445 14.04376       33.07711 
1 1 1 -17 27 1  o 43.85320 14.83161 -21.74945      51.36456 36.16636      70.72963 -86.37584      74.71500 49.87512 22.93679 37.83129 18.80983 12.04383       29.66321 
1 1 1 -17 27 2  o 46.85598 15.55939 -4.341360      51.34480 -48.97599     76.14359 32.87758       69.53114 42.45074 20.67784 51.26122 23.25522 -8.810474      31.11878 
1 1 1 -17 27 3  o 46.34964 13.87223 25.44967       19.19573 15.41610      77.33864 26.10836       19.81581 51.13149 23.68123 41.56778 14.45523 9.563705       27.74445 
1 1 1 -17 27 4  o 37.27827 12.38452 -3.083183      22.43640 -73.89505     74.48692 3.982582       23.52917 41.24548 20.16866 33.31105 14.37813 7.934433       24.76904 
1 1 1 -17 27 5  o 50.45525 12.68156 40.07476       21.18189 39.57710      35.49551 40.35000       26.39723 50.62576 19.09219 50.28475 16.69658 0.3410034      25.36312 
1 1 1 -17 27 6  o 69.91747 12.93752 104.1247       25.33495 -17.74341     81.16743 117.2795       26.66728 49.72010 23.42513 90.11484 10.99003 -40.39474      25.87504 
1 1 1 -17 27 7  o 39.32469 13.42732 -17.00010      24.83935 -16.63256     77.55411 -17.04211      26.22061 49.28538 23.11835 29.36401 13.66434 19.92138       26.85465 
1 1 1 -17 27 8  o 37.84482 12.85004 -17.22475      26.00137 -55.57345     74.61189 -11.92375      27.74032 44.13587 21.24841 31.55378 14.45681 12.58209       25.70008 
1 1 1 -17 27 9  o 50.74237 14.32166 22.24600       26.01569 72.54011      53.73468 6.847528       29.73274 63.65985 23.59233 37.82489 16.24320 25.83496       28.64332 
1 1 1 -17 27 10 o 67.01167 15.14117 72.13486       28.00876 101.0764      55.05560 62.02888       32.53343 73.00092 24.10684 61.02241 18.32703 11.97850       30.28233 
1 1 1 -17 27 11 o 49.18940 14.34486 26.26668       28.32569 48.60769      52.48435 17.08493       33.64660 55.92031 22.57504 42.45848 17.70503 13.46183       28.68973 
1 1 1 -17 27 12 o 52.76041 14.97886 26.75182       30.23730 85.07869      57.62347 4.588828       35.52051 66.17560 24.44967 39.34521 17.31121 26.83039       29.95771 
1 1 1 -17 27 13 o 56.17063 15.25414 52.46170       30.64810 63.26746      55.50373 47.72175       36.76048 58.95576 23.41298 53.38551 19.55984 5.570255       30.50828 
1 1 1 -17 27 14 o 53.60649 15.02837 48.89407       31.82080 51.10122      50.94499 47.48211       40.74700 54.44231 22.14693 52.77067 20.32045 1.671642       30.05674 
1 1 1 -17 27 15 o 47.62743 14.00820 31.04260       31.46479 1.447282      47.14686 54.81005       42.25056 41.14322 18.84912 54.11165 20.72749 -12.96843      28.01640 
1 1 1 -17 27 16 o 40.78960 12.89756 12.27481       29.16843 19.00928      39.38768 4.096481       43.40511 41.93554 18.34516 39.64367 18.13403 2.291870       25.79511 
1 1 1 -17 27 17 o 36.81889 12.03670 -4.389821      27.32168 -14.06696     35.13810 10.40648       43.44916 33.03188 15.51568 40.60590 18.40629 -7.574017      24.07339 
1 1 1 -16 0  1  o 137.2209 5.462830 257.9431       19.79779 213.7195      27.89930 302.8000       28.09837 125.0546 8.371436 149.3872 7.020621 -0.000000      0.000000 
1 1 1 -16 0  2  o 22.21907 10.17990 -5.757516      15.57267 -25.79105     24.00054 8.809284       20.46560 18.27035 12.81768 26.16779 15.81862 -0.000000      0.000000 
1 1 1 -16 0  3  o 402.7429 6.505507 2190.058       70.46605 2189.045      99.57354 2191.074       99.73473 402.6501 9.194844 402.8356 9.205504 -0.000000      0.000000 
1 1 1 -16 0  4  o 209.3858 4.728961 591.9765       26.58997 573.6630      37.00085 611.5347       38.23742 206.0296 6.685529 212.7419 6.689993 -0.000000      0.000000 
1 1 1 -16 0  5  o 29.02657 12.11606 11.31381       16.82442 19.98517      23.17044 1.643020       24.46929 32.76044 18.06749 25.29269 16.14811 -0.000000      0.000000 
1 1 1 -16 0  6  o 911.7672 13.74358 11246.53       337.0600 11204.31      474.4062 11289.56       478.9762 910.0499 19.37967 913.4845 19.49288 -0.000000      0.000000 
1 1 1 -16 0  7  o 52.00266 12.53059 47.13716       15.79150 42.68922      21.80564 52.04261       22.89962 48.61507 17.96808 55.39024 17.47027 -0.000000      0.000000 
1 1 1 -16 0  8  o 794.9659 11.99109 8533.650       256.2638 8724.722      370.1906 8357.835       355.1034 803.4854 17.12812 786.4464 16.78607 -0.000000      0.000000 
1 1 1 -16 0  9  o 43.91010 12.53758 36.19643       14.51008 37.85638      20.14376 34.40627       20.91890 45.42798 17.42346 42.39223 18.03293 -0.000000      0.000000 
1 1 1 -16 0  10 o 180.3346 4.483686 439.7289       21.69496 436.7791      31.22539 442.4816       30.16470 179.7324 6.471085 180.9368 6.207964 -0.000000      0.000000 
1 1 1 -16 0  11 o 180.0105 4.637856 437.8785       22.38734 410.1006      31.22392 467.2661       32.11587 174.1012 6.682786 185.9197 6.432667 -0.000000      0.000000 
1 1 1 -16 0  12 o 114.5288 6.383288 181.4852       19.07008 171.5742      29.25472 188.8085       25.14726 111.5053 9.924359 117.5522 8.030727 -0.000000      0.000000 
1 1 1 -16 0  13 o 148.0934 5.653549 296.7936       22.31094 264.3130      30.52748 334.0346       32.68809 139.3227 8.202482 156.8641 7.782656 -0.000000      0.000000 
1 1 1 -16 0  14 o 68.72939 12.59024 84.56854       18.88066 97.57159      22.85939 56.65712       33.49139 83.03933 10.71418 54.41945 22.78733 -0.000000      0.000000 
1 1 1 -16 0  15 o 477.0547 7.502620 3070.732       96.02658 2993.689      130.5838 3161.450       141.7005 470.5978 10.31638 483.5117 10.89631 -0.000000      0.000000 
1 1 1 -16 0  16 o 556.2247 8.596618 4163.583       128.1329 4470.667      191.6227 3915.237       172.3243 574.6307 12.39742 537.8186 11.91265 -0.000000      0.000000 
1 1 1 -16 0  17 o 113.6579 6.468732 181.6850       18.36267 190.7545      22.88490 165.2902       30.76872 118.2663 7.248674 109.0494 10.71609 -0.000000      0.000000 
1 1 1 -16 0  18 o 36.51806 12.20968 24.00652       16.97790 42.42474      22.14850 -2.235982      26.43766 48.08031 18.22522 24.95580 16.25258 -0.000000      0.000000 
1 1 1 -16 0  19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  20 o 206.5011 5.123987 574.1653       28.33593 614.9855      41.98904 540.0297       38.39748 213.2213 7.333107 199.7808 7.158668 -0.000000      0.000000 
1 1 1 -16 0  21 o 654.3567 9.988056 5788.469       175.5816 5964.959      256.1085 5631.951       241.1829 663.7090 14.34567 645.0044 13.90132 -0.000000      0.000000 
1 1 1 -16 0  22 o 101.9454 9.715297 164.2131       21.08443 106.0946      34.85759 197.7456       26.47728 83.61357 17.58518 120.2773 8.264959 -0.000000      0.000000 
1 1 1 -16 0  23 o 422.5890 6.860182 2412.448       77.94479 2396.103      111.3982 2428.125       109.0990 421.1654 9.835062 424.0126 9.566606 -0.000000      0.000000 
1 1 1 -16 0  24 o 433.5143 7.079002 2539.976       82.52599 2494.360      116.5496 2585.843       116.8699 429.5917 10.08817 437.4368 9.933671 -0.000000      0.000000 
1 1 1 -16 0  25 o 32.66929 13.97542 9.774860       24.89779 -28.91280     44.22953 27.72109       30.12400 27.35953 18.75402 37.97905 20.72527 -0.000000      0.000000 
1 1 1 -16 0  26 o 135.6761 8.578466 245.6394       29.25559 285.8215      51.29921 226.2717       35.61496 143.2731 13.57742 128.0791 10.48876 -0.000000      0.000000 
1 1 1 -16 0  27 o 53.52077 19.03125 51.31260       33.63287 85.91886      56.46363 32.28191       41.87151 65.09579 29.67126 41.94574 23.84053 -0.000000      0.000000 
1 1 1 -16 0  28 f 29.89012 14.84352 -51.93111      40.73193 -44.15625     72.04332 -55.58409      49.38223 34.34899 23.64447 25.43125 17.95157 -0.000000      0.000000 
1 1 1 -16 0  29 o 317.1079 8.918688 1377.024       75.33508 1290.797      111.1289 1450.346       102.4761 307.5728 13.47713 326.6431 11.68499 -0.000000      0.000000 
1 1 1 -16 0  30 o 42.72165 25.04991 34.99674       48.46336 0.000000      0.000000 34.99674       48.46336 42.72165 25.04991 42.72165 25.04991 -0.000000      0.000000 
1 1 1 -16 0  31 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  32 o 44.24957 25.74359 43.83307       50.53878 0.000000      0.000000 43.83307       50.53878 44.24957 25.74359 44.24957 25.74359 -0.000000      0.000000 
1 1 1 -16 0  33 o 31.24450 21.01993 -2.798635      50.48590 0.000000      0.000000 -2.798635      50.48590 31.24450 21.01993 31.24450 21.01993 -0.000000      0.000000 
1 1 1 -16 2  1  o 231.0909 3.441013 719.6345       21.40767 728.9560      30.64072 710.7450       29.92210 232.5510 4.893250 229.6307 4.839256 2.920227       6.882027 
1 1 1 -16 2  2  o 191.3904 3.411042 489.3509       17.49113 537.4756      26.39733 451.6838       23.35374 199.7026 4.908998 183.0782 4.737360 16.62440       6.822085 
1 1 1 -16 2  3  o 548.7882 5.993470 4064.073       88.56585 4064.554      125.1855 4063.590       125.3167 548.8215 8.471092 548.7549 8.480999 0.6652832E-01  11.98694 
1 1 1 -16 2  4  o 401.5330 4.559689 2173.035       49.29365 2198.280      70.36024 2148.699       69.08086 403.8212 6.470752 399.2448 6.425918 4.576447       9.119378 
1 1 1 -16 2  5  o 211.0874 3.246666 600.0392       18.43948 595.9354      25.54054 604.5071       26.64952 210.3358 4.509554 211.8391 4.671968 -1.503387      6.493332 
1 1 1 -16 2  6  o 721.9413 7.714759 7034.322       149.9711 7028.398      212.0024 7040.256       212.1800 721.6371 10.91035 722.2455 10.91029 -0.6084595     15.42952 
1 1 1 -16 2  7  o 601.4331 6.465053 4877.566       104.6978 4860.431      147.6202 4894.910       148.5139 600.3715 9.131505 602.4948 9.154411 -2.123352      12.93011 
1 1 1 -16 2  8  o 558.7870 6.026712 4205.902       90.62567 4112.745      125.5578 4307.217       130.9397 552.3401 8.442161 565.2338 8.603195 -12.89374      12.05342 
1 1 1 -16 2  9  o 379.7490 4.276809 1938.322       43.65717 1868.995      59.65975 2018.242       64.05547 372.4606 5.948640 387.0374 6.146387 -14.57681      8.553618 
1 1 1 -16 2  10 o 265.4091 3.385844 948.7561       24.19602 940.2113      34.00817 957.5155       34.43245 264.1993 4.780444 266.6190 4.796157 -2.419708      6.771689 
1 1 1 -16 2  11 o 265.3317 3.460233 948.4490       24.72027 936.3427      34.94604 960.5742       34.97346 263.6359 4.922776 267.0274 4.864064 -3.391510      6.920465 
1 1 1 -16 2  12 o 470.2095 5.188956 2980.073       65.66850 2932.766      91.23948 3030.919       94.58965 466.3474 7.265908 474.0716 7.409968 -7.724213      10.37791 
1 1 1 -16 2  13 o 720.4093 7.733638 6989.692       149.5718 6709.236      202.3735 7327.320       222.0452 704.6093 10.66650 736.2092 11.20100 -31.59991      15.46728 
1 1 1 -16 2  14 o 107.8672 5.264781 161.6670       14.17213 170.3449      17.34657 144.2468       24.57714 112.4023 5.731323 103.3320 8.833097 9.070335       10.52956 
1 1 1 -16 2  15 o 386.8007 6.373577 2018.376       66.38255 0.000000      0.000000 2018.376       66.38255 ?        ?        386.8007 6.373577 ?              ?        
1 1 1 -16 2  16 o 276.4774 4.988516 1030.611       37.13765 0.000000      0.000000 1030.611       37.13765 ?        ?        276.4774 4.988516 ?              ?        
1 1 1 -16 2  17 o 228.1468 3.387587 702.4647       20.74493 693.3459      30.46993 710.3439       28.32309 226.7510 4.990440 229.5426 4.582411 -2.791565      6.775174 
1 1 1 -16 2  18 o 212.3249 3.365993 610.2969       19.14585 579.4520      28.10155 637.0181       26.15569 207.2787 5.034915 217.3711 4.468698 -10.09244      6.731986 
1 1 1 -16 2  19 o 162.8386 3.615498 355.4707       15.63629 369.3252      24.40553 345.8239       20.36500 165.4989 5.476583 160.1782 4.721690 5.320663       7.230997 
1 1 1 -16 2  20 o 267.4978 3.642798 961.0258       26.10885 997.8188      39.21029 931.7181       34.99516 272.0688 5.352269 262.9268 4.942989 9.141968       7.285597 
1 1 1 -16 2  21 o 381.6420 4.423548 1964.091       45.45262 1971.166      64.83141 1957.252       63.74186 382.3137 6.297705 380.9704 6.213697 1.343292       8.847096 
1 1 1 -16 2  22 o 89.97833 6.231288 109.8199       14.98047 104.5481      22.31110 114.1477       20.21485 87.98534 9.417319 91.97131 8.162716 -3.985970      12.46258 
1 1 1 -16 2  23 o 81.61038 7.010438 89.16112       15.31928 103.4469      22.82794 77.45654       20.66296 87.50982 9.687831 75.71094 10.13562 11.79888       14.02088 
1 1 1 -16 2  24 o 81.15045 8.183602 94.27018       16.63767 67.75287      24.61604 116.5718       22.57470 69.43861 13.65202 92.86229 9.028160 -23.42368      16.36720 
1 1 1 -16 2  25 o 145.8475 4.878088 286.1910       19.11828 308.4340      28.10108 267.0237       26.08590 151.1014 6.906709 140.5936 6.890597 10.50774       9.756175 
1 1 1 -16 2  26 o 109.1641 6.412721 161.5130       18.84642 164.3362      26.96374 158.8163       26.35250 110.0942 9.095615 108.2339 9.042221 1.860321       12.82544 
1 1 1 -16 2  27 f 194.9728 6.257886 528.8077       31.93754 446.9518      48.86939 589.8315       42.19508 181.2525 10.01312 208.6931 7.508795 -27.44060      12.51577 
1 1 1 -16 2  28 o 114.9714 12.04317 204.5771       34.35352 166.9183      54.25931 229.7733       44.38206 102.9886 20.28772 126.9543 12.98305 -23.96568      24.08633 
1 1 1 -16 2  29 o 43.77675 14.56339 -69.17717      42.57973 -22.45672     68.84995 -98.11382      54.18440 52.39380 23.50984 35.15970 17.19468 17.23410       29.12678 
1 1 1 -16 2  30 o 53.82234 15.02690 26.47263       32.54179 58.12971      51.20042 5.017580       42.15052 63.08156 23.08832 44.56313 19.23955 18.51844       30.05380 
1 1 1 -16 2  31 o 119.1077 9.995672 205.6993       30.92666 203.7003      50.50459 206.8985       39.11876 117.4970 15.96323 120.7184 12.03450 -3.221466      19.99134 
1 1 1 -16 2  32 o 67.98048 15.71254 82.31839       34.33089 100.8277      45.95855 58.95108       51.63877 76.02682 21.49357 59.93414 22.92513 16.09267       31.42508 
1 1 1 -16 2  33 o 35.63863 12.11580 -47.71001      34.24340 -1.785515     50.30084 -87.37780      46.74897 41.69046 19.23446 29.58681 14.73792 12.10364       24.23161 
1 1 1 -16 4  1  o 196.0819 3.370662 518.1030       17.78546 514.1148      24.67777 522.4137       25.65560 195.3005 4.692660 196.8633 4.839875 -1.562744      6.741323 
1 1 1 -16 4  2  o 234.1583 3.444838 739.0656       21.71526 738.4953      31.03307 739.6127       30.39683 234.0669 4.923811 234.2497 4.819098 -0.1828308     6.889675 
1 1 1 -16 4  3  o 182.3923 3.369910 448.2852       16.54623 461.9080      23.49620 434.8835       23.30479 185.1429 4.713105 179.6417 4.817865 5.501221       6.739821 
1 1 1 -16 4  4  o 414.5121 4.688096 2316.480       52.32241 2309.390      73.51991 2323.758       74.47955 413.8723 6.597133 415.1519 6.662643 -1.279663      9.376192 
1 1 1 -16 4  5  o 361.4534 4.197956 1760.567       40.85387 1786.106      58.25254 1735.847       57.31117 364.0322 5.942808 358.8747 5.930797 5.157501       8.395911 
1 1 1 -16 4  6  o 563.2405 6.104118 4279.796       92.56723 4242.291      129.8097 4318.601       132.0384 560.7350 8.597379 565.7459 8.667532 -5.010864      12.20824 
1 1 1 -16 4  7  o 322.1913 3.806276 1397.930       33.01149 1368.237      45.99637 1429.470       47.40614 318.6661 5.360488 325.7166 5.405195 -7.050507      7.612553 
1 1 1 -16 4  8  o 423.3317 4.707125 2408.907       53.55656 2312.319      73.07608 2520.988       78.71918 414.1967 6.552171 432.4666 6.759967 -18.26996      9.414249 
1 1 1 -16 4  9  o 240.7385 3.285464 778.0786       21.26063 725.3684      29.13404 838.1268       31.09589 232.0457 4.662769 249.4312 4.629869 -17.38554      6.570929 
1 1 1 -16 4  10 o 370.9258 5.989123 1854.332       59.81825 0.000000      0.000000 1854.332       59.81825 ?        ?        370.9258 5.989123 ?              ?        
1 1 1 -16 4  11 o 745.1158 7.970284 7497.063       159.7975 7686.177      231.3467 7324.507       220.9850 754.0618 11.39391 736.1699 11.14811 17.89191       15.94057 
1 1 1 -16 4  12 o 288.4610 3.635762 1119.527       28.20161 1205.430      40.69387 1040.144       39.11892 299.0959 5.052836 277.8261 5.229142 21.26978       7.271525 
1 1 1 -16 4  13 o 526.4754 8.065409 3741.892       114.3373 3741.892      114.3373 0.000000       0.000000 526.4754 8.065409 ?        ?        ?              ?        
1 1 1 -16 4  14 o 290.6234 3.749671 1139.314       29.28506 1148.774      40.26123 1128.686       42.67472 291.9185 5.122028 289.3282 5.477678 2.590302       7.499342 
1 1 1 -16 4  15 o 366.3009 6.026675 1809.961       59.44279 1809.961      59.44279 0.000000       0.000000 366.3009 6.026675 ?        ?        ?              ?        
1 1 1 -16 4  16 o 54.07046 8.173239 40.80650       11.92097 58.18514      17.19000 24.70554       16.54602 65.52999 9.742094 42.61092 13.12627 22.91907       16.34648 
1 1 1 -16 4  17 o 496.7159 5.490583 3329.791       73.38558 3222.093      101.5103 3447.703       106.2153 488.3231 7.720037 505.1087 7.809422 -16.78558      10.98117 
1 1 1 -16 4  18 o 258.1711 4.827460 898.6151       33.55906 0.000000      0.000000 898.6151       33.55906 ?        ?        258.1711 4.827460 ?              ?        
1 1 1 -16 4  19 o 458.0205 7.140932 2831.604       88.06903 0.000000      0.000000 2831.604       88.06903 ?        ?        458.0205 7.140932 ?              ?        
1 1 1 -16 4  20 f 110.0214 5.388632 159.3047       15.05654 175.4635      26.63195 151.7136       18.25374 113.9802 8.677413 106.0626 6.391550 7.917564       10.77726 
1 1 1 -16 4  21 o 311.7601 5.399163 1310.098       45.32422 0.000000      0.000000 1310.098       45.32422 ?        ?        311.7601 5.399163 ?              ?        
1 1 1 -16 4  22 o 488.4136 5.458307 3218.116       71.75317 3220.893      103.0211 3215.500       99.99516 488.6039 7.830436 488.2234 7.606362 0.3804321      10.91661 
1 1 1 -16 4  23 o 152.1361 4.565271 314.9218       18.13539 300.0741      29.11891 324.3305       23.17985 149.1499 7.250516 155.1223 5.549489 -5.972427      9.130543 
1 1 1 -16 4  24 o 149.8186 4.571787 300.9889       18.27709 317.2663      28.07926 289.0223       24.07560 153.2894 6.802840 146.3478 6.109527 6.941589       9.143575 
1 1 1 -16 4  25 o 190.1060 5.089978 491.8752       24.10589 479.5982      42.97671 497.5107       29.11764 188.2161 8.479943 191.9959 5.632235 -3.779816      10.17996 
1 1 1 -16 4  26 o 40.96756 11.76619 10.12148       20.04156 6.382375      31.89214 12.56177       25.76446 41.57472 17.27847 40.36039 15.97585 1.214325       23.53238 
1 1 1 -16 4  27 o 203.2736 6.399401 547.4990       33.68303 610.0989      57.21691 514.2990       41.66842 211.7488 10.03506 194.7984 7.943982 16.95036       12.79880 
1 1 1 -16 4  28 o 59.81751 14.94660 43.71711       35.38604 -25.81137     58.58260 83.65821       44.40147 45.98872 21.04773 73.64630 21.22725 -27.65758      29.89319 
1 1 1 -16 4  29 o 37.73443 12.88910 -57.92939      37.89570 -49.26717     61.45875 -63.24302      48.13537 41.32759 19.73283 34.14127 16.58707 7.186325       25.77820 
1 1 1 -16 4  30 o 39.62716 12.93969 -28.27388      31.49441 -6.874596     50.16644 -42.19458      40.46170 45.21351 20.19332 34.04081 16.18555 11.17270       25.87937 
1 1 1 -16 4  31 o 47.89191 13.79949 20.88319       29.51163 -12.37475     48.91570 39.91682       37.00508 42.75172 19.43732 53.03211 19.59323 -10.28040      27.59899 
1 1 1 -16 4  32 o 72.41724 14.44643 92.30730       29.89625 75.75986      44.44810 105.9782       40.40050 65.39137 21.66358 79.44311 19.11771 -14.05173      28.89286 
1 1 1 -16 4  33 o 42.18748 13.43878 10.64004       32.75242 -7.898453     49.16279 25.43380       43.91759 39.51934 18.49557 44.85561 19.50173 -5.336269      26.87757 
1 1 1 -16 6  1  o 335.0706 4.082052 1514.677       36.82644 1499.296      51.66128 1530.567       52.50999 333.3436 5.755587 336.7976 5.790147 -3.453949      8.164104 
1 1 1 -16 6  2  o 227.1916 3.403791 694.6777       20.79838 717.8969      30.31616 674.0321       28.58668 230.7684 4.878816 223.6147 4.747665 7.153732       6.807582 
1 1 1 -16 6  3  o 292.4316 3.741119 1150.832       29.39888 1121.941      40.11732 1184.343       43.20698 288.4842 5.164479 296.3791 5.414059 -7.894867      7.482237 
1 1 1 -16 6  4  o 317.1216 3.875612 1355.862       33.08393 1355.375      46.21704 1356.373       47.38011 317.0687 5.413341 317.1744 5.547720 -0.1056824     7.751223 
1 1 1 -16 6  5  o 218.6925 3.256614 638.8257       19.05188 598.2936      25.25763 692.3292       29.01916 210.7209 4.451451 226.6640 4.754654 -15.94305      6.513229 
1 1 1 -16 6  6  o 276.5941 3.521521 1025.685       26.14902 965.4976      35.34670 1098.446       38.86357 267.6801 4.903987 285.5081 5.055230 -17.82794      7.043042 
1 1 1 -16 6  7  o 82.96385 5.264440 93.79099       11.63141 84.28646      17.19992 101.8002       15.78908 79.03753 8.081829 86.89018 6.748432 -7.852654      10.52888 
1 1 1 -16 6  8  o 107.0313 4.388736 157.1451       12.42517 133.3460      18.41296 177.0432       16.83639 99.44442 6.876379 114.6181 5.455220 -15.17371      8.777472 
1 1 1 -16 6  9  o 226.7152 3.284251 690.1323       20.01436 649.4321      27.36060 736.9777       29.35353 219.5506 4.628151 233.8798 4.661054 -14.32922      6.568501 
1 1 1 -16 6  10 o 201.6743 3.170544 545.1537       17.10545 524.7167      22.74730 571.7491       25.94923 197.3533 4.280575 205.9952 4.678256 -8.641953      6.341088 
1 1 1 -16 6  11 o 231.9705 3.315279 724.6517       20.62051 720.0701      27.86716 730.1960       30.65544 231.1700 4.476906 232.7711 4.890972 -1.601135      6.630557 
1 1 1 -16 6  12 o 227.9928 3.303260 702.1633       20.21567 724.6928      27.79228 676.8505       29.45901 231.8962 4.450892 224.0893 4.882177 7.806915       6.606519 
1 1 1 -16 6  13 o 31.88075 8.541523 9.859461       10.00630 11.08568      13.04687 8.107893       15.59324 31.88605 11.65728 31.87545 12.48753 0.1060295E-01  17.08305 
1 1 1 -16 6  14 f 332.9087 3.943251 1489.885       35.24592 1435.525      47.73630 1555.038       52.26095 326.2684 5.433634 339.5490 5.715990 -13.28061      7.886502 
1 1 1 -16 6  15 o 59.14902 7.056653 47.67828       10.84115 60.47894      16.19239 37.27847       14.59513 66.83957 8.996923 51.45847 10.87386 15.38110       14.11331 
1 1 1 -16 6  16 o 198.9590 3.401410 533.1906       18.19981 543.1669      26.50502 524.2904       25.03471 200.7128 4.904215 197.2052 4.714556 3.507629       6.802820 
1 1 1 -16 6  17 o 89.97107 5.330911 107.0197       12.76587 126.2235      19.97282 93.75562       16.59906 96.64127 7.675266 83.30087 7.400320 13.34040       10.66182 
1 1 1 -16 6  18 f 352.0797 4.316500 1673.615       40.87468 1634.195      58.80777 1710.459       56.85284 348.0461 6.275012 356.1133 5.928988 -8.067200      8.632999 
1 1 1 -16 6  19 f 186.3430 3.968285 465.1889       18.91053 477.4757      32.46782 458.8809       23.26378 188.1552 6.408460 184.5308 4.681964 3.624359       7.936570 
1 1 1 -16 6  20 o 255.6130 4.041979 887.9266       27.20896 845.5061      42.67401 916.9854       35.31945 250.3876 6.329468 260.8384 5.028737 -10.45082      8.083958 
1 1 1 -16 6  21 o 291.9941 4.156426 1142.479       31.94568 1181.069      51.24934 1117.956       40.85375 295.9679 6.430731 288.0204 5.267751 7.947418       8.312852 
1 1 1 -16 6  22 o 189.6662 6.605000 561.6041       25.47940 371.9981      54.56390 614.4783       28.81385 165.7895 12.22264 213.5429 5.011096 -47.75340      13.21000 
1 1 1 -16 6  23 o 253.6763 5.347318 845.7474       30.19231 908.9968      65.68433 828.8038       33.99667 259.3710 9.404962 247.9816 5.091357 11.38940       10.69464 
1 1 1 -16 6  24 o 150.2729 6.137246 294.9490       21.11478 325.7886      44.39400 285.9330       24.00362 154.9904 10.63741 145.5554 6.124422 9.435013       12.27449 
1 1 1 -16 6  25 o 93.11690 9.079350 119.0429       20.97917 116.5080      37.65236 120.1842       25.26420 92.14252 15.17570 94.09127 9.971785 -1.948753      18.15870 
1 1 1 -16 6  26 o 23.86683 11.88312 -105.7108      24.85089 -166.8141     43.59134 -76.29062      30.24755 ?        ?        23.86683 11.88312 ?              ?        
1 1 1 -16 6  27 o 218.3548 6.277962 659.6473       35.87236 586.0100      55.97224 710.9774       46.73145 207.5753 10.01414 229.1342 7.574186 -21.55885      12.55592 
1 1 1 -16 6  28 o 667.7391 9.317647 6023.749       157.4679 6186.973      275.8955 5944.887       191.7714 673.2591 15.21875 662.2191 10.75471 11.03998       18.63529 
1 1 1 -16 6  29 o 49.30009 14.50065 14.83705       31.51954 9.741066      49.23739 18.37537       41.02791 49.78019 21.12578 48.81999 19.86898 0.9601936      29.00130 
1 1 1 -16 6  30 o 53.65747 13.38646 34.03846       27.61532 -8.481900     41.76970 67.05569       36.80724 41.29759 18.43653 66.01734 19.41348 -24.71975      26.77292 
1 1 1 -16 6  31 o 42.40502 13.34106 -1.496665      30.21066 2.444184      46.99096 -4.273078      39.44223 44.73266 19.78525 40.07739 17.90193 4.655270       26.68212 
1 1 1 -16 6  32 o 84.63118 13.89300 122.9434       30.59923 130.8632      48.32928 117.6445       39.53201 85.38846 21.13367 83.87389 18.03968 1.514565       27.78600 
1 1 1 -16 6  33 o 62.24031 16.02800 81.42084       33.91404 121.3248      56.75092 59.25428       42.29745 70.66635 24.46908 53.81427 20.70873 16.85208       32.05600 
1 1 1 -16 8  1  o 240.0885 3.542410 775.3240       22.87150 736.5311      31.40759 819.1214       33.37210 233.7122 4.990797 246.4647 5.028580 -12.75256      7.084820 
1 1 1 -16 8  2  o 92.30738 4.716135 115.1136       11.68985 114.1301      17.14132 115.9687       15.98325 91.92822 6.924875 92.68655 6.404202 -0.7583313     9.432269 
1 1 1 -16 8  3  f 238.6747 3.442458 768.2571       22.11068 772.3653      30.79042 763.8832       31.77109 239.3404 4.777671 238.0091 4.957412 1.331223       6.884916 
1 1 1 -16 8  4  o 317.2147 3.902985 1352.523       33.22797 1304.792      44.89605 1410.336       49.41059 311.0622 5.360157 323.3672 5.674670 -12.30508      7.805970 
1 1 1 -16 8  5  o 98.44906 4.477315 131.0309       11.83612 135.1776      16.30701 126.4140       17.20682 100.1074 6.049573 96.79067 6.602125 3.316772       8.954630 
1 1 1 -16 8  6  o 33.39912 7.792229 3.637525       11.28883 -28.48218     16.73531 30.45523       15.29181 20.26374 9.829974 46.53450 12.09326 -26.27076      15.58446 
1 1 1 -16 8  7  o 377.3005 5.576113 1909.822       51.61747 1953.131      95.68791 1892.047       61.30146 380.0640 9.350115 374.5370 6.078447 5.526947       11.15223 
1 1 1 -16 8  8  o 367.4993 4.258743 1817.294       42.06681 1889.444      61.76881 1754.884       57.44872 374.2747 6.129082 360.7240 5.914553 13.55063       8.517487 
1 1 1 -16 8  9  o 140.3495 3.562333 268.1484       13.04821 276.7854      16.67541 254.5092       20.95517 143.3162 4.321136 137.3827 5.664683 5.933456       7.124665 
1 1 1 -16 8  10 o 76.00449 5.536504 76.84592       10.50901 74.96855      12.60818 81.11852       19.02056 74.54791 6.281070 77.46107 9.119191 -2.913155      11.07301 
1 1 1 -16 8  11 o 106.2845 6.180122 152.3886       17.68684 0.000000      0.000000 152.3886       17.68684 ?        ?        106.2845 6.180122 ?              ?        
1 1 1 -16 8  12 o 94.13428 4.154788 119.4274       10.46900 137.7831      15.13302 102.5795       14.49818 101.0746 5.560323 87.19392 6.175099 13.88072       8.309575 
1 1 1 -16 8  13 o 97.24580 4.114120 128.1533       10.71023 121.5727      15.77765 133.7772       14.58559 94.90694 6.173919 99.58467 5.439363 -4.677734      8.228241 
1 1 1 -16 8  14 o 238.9771 3.323590 767.6835       21.35507 723.9773      29.27867 817.3636       31.21555 231.7315 4.692269 246.2227 4.708249 -14.49127      6.647180 
1 1 1 -16 8  15 o 158.6402 3.497553 336.2165       14.81342 362.6645      22.78057 316.8398       19.49885 163.9845 5.159152 153.2959 4.723839 10.68866       6.995106 
1 1 1 -16 8  16 o 93.61227 5.598526 116.2846       13.39634 125.0957      23.26399 111.9134       16.38571 96.16917 8.983902 91.05539 6.683073 5.113777       11.19705 
1 1 1 -16 8  17 o 431.4755 7.234731 2513.183       84.05469 2513.183      84.05469 0.000000       0.000000 431.4755 7.234731 ?        ?        ?              ?        
1 1 1 -16 8  18 o 538.9034 8.557781 3922.240       124.1811 3922.240      124.1811 0.000000       0.000000 538.9034 8.557781 ?        ?        ?              ?        
1 1 1 -16 8  19 o 635.5244 8.687824 5423.992       136.6528 5596.470      249.9322 5350.443       163.2084 641.8862 14.46041 629.1625 9.633772 12.72369       17.37565 
1 1 1 -16 8  20 o 610.4095 8.317861 5062.874       127.8113 4980.305      223.9832 5102.742       155.6382 606.1580 13.72291 614.6611 9.403665 -8.503113      16.63572 
1 1 1 -16 8  21 o 564.6403 7.940736 4033.741       103.5267 4859.784      219.0832 3796.257       117.4695 598.8930 13.58553 530.3875 8.225241 68.50549       15.88147 
1 1 1 -16 8  22 o 221.7832 5.878014 613.6656       26.08489 741.3332      67.02177 590.8747       28.31765 234.1697 10.62923 209.3967 5.022315 24.77295       11.75603 
1 1 1 -16 8  23 o 166.6949 7.913006 452.0973       24.66316 276.5502      57.13261 492.3028       27.34198 142.3357 14.90688 191.0541 5.314840 -48.71835      15.82601 
1 1 1 -16 8  24 o 128.8287 8.986485 251.2314       22.98417 189.7430      52.64944 265.7087       25.54707 117.4285 16.65087 140.2289 6.765814 -22.80046      17.97297 
1 1 1 -16 8  25 o 88.71717 11.13664 103.8484       22.09879 122.3946      46.68765 98.49356       25.08707 92.31768 19.39810 85.11666 10.94591 7.201019       22.27329 
1 1 1 -16 8  26 o 182.1360 7.464407 433.2322       33.32215 497.3068      63.44008 408.8192       39.15897 190.6586 12.35731 173.6135 8.376536 17.04512       14.92881 
1 1 1 -16 8  27 o 30.05949 10.72994 -155.2207      38.98765 -188.8158     65.08739 -136.4212      48.68919 31.87187 16.08205 28.24712 14.20896 3.624752       21.45989 
1 1 1 -16 8  28 o 45.92783 14.75709 -18.81212      39.01811 8.082951      61.88494 -36.55790      50.26852 52.17892 22.90624 39.67674 18.61159 12.50218       29.51419 
1 1 1 -16 8  29 o 38.59022 12.37605 -24.13416      28.05853 9.018187      43.64155 -47.49417      36.63359 46.14500 19.74375 31.03544 14.92820 15.10956       24.75211 
1 1 1 -16 8  30 o 43.29175 13.15526 1.902586       27.43172 26.24331      43.81115 -13.79378      35.18176 50.42150 20.52757 36.16199 16.45788 14.25951       26.31051 
1 1 1 -16 8  31 o 62.86800 15.41933 62.96228       30.11458 86.05140      53.75687 52.40243       36.35457 68.88219 23.81693 56.85381 19.59021 12.02839       30.83865 
1 1 1 -16 8  32 o 51.40015 15.01174 43.45468       32.95079 44.20292      55.52540 43.04792       40.93871 52.18322 22.29728 50.61707 20.10574 1.566143       30.02348 
1 1 1 -16 10 1  o 190.3849 3.449568 488.8517       17.65277 484.0192      25.67168 493.1863       24.31325 189.4845 5.031497 191.2853 4.720393 -1.800781      6.899136 
1 1 1 -16 10 2  o 132.3552 3.573526 236.2710       12.72963 245.1514      18.03113 227.4470       17.97384 134.8388 4.966208 129.8717 5.139761 4.967056       7.147053 
1 1 1 -16 10 3  o 366.3361 4.311359 1811.018       42.52302 1833.436      60.72139 1789.443       59.56844 368.5572 6.118619 364.1151 6.075671 4.442139       8.622719 
1 1 1 -16 10 4  o 252.7868 3.535276 861.2960       24.01869 856.3888      32.93125 866.8734       35.10829 252.0289 4.852601 253.5448 5.142468 -1.515915      7.070553 
1 1 1 -16 10 5  o 76.74975 5.797416 78.31629       11.84891 96.85320      17.98850 64.10957       15.74792 84.65035 7.891921 68.84914 8.494570 15.80121       11.59483 
1 1 1 -16 10 6  f 411.9599 4.715020 2288.102       52.22745 2357.404      76.33489 2227.109       71.61259 417.7931 6.785447 406.1266 6.548541 11.66644       9.430040 
1 1 1 -16 10 7  o 247.5645 3.406425 826.5894       22.70387 838.3193      31.98405 814.6759       32.23363 249.3394 4.763862 245.7896 4.870375 3.549866       6.812850 
1 1 1 -16 10 8  o 78.45802 5.328264 86.15955       10.28012 91.05984      12.45278 75.67446       18.21548 82.15218 5.629423 74.76387 9.048270 7.388306       10.65653 
1 1 1 -16 10 9  o 268.9654 4.943822 975.6029       35.80492 975.6029      35.80492 0.000000       0.000000 268.9654 4.943822 ?        ?        ?              ?        
1 1 1 -16 10 10 o 271.9834 4.934624 997.5903       36.13930 0.000000      0.000000 997.5903       36.13930 ?        ?        271.9834 4.934624 ?              ?        
1 1 1 -16 10 11 o 167.6242 3.093180 379.5498       13.91325 367.7816      20.35662 389.8666       19.05995 165.1711 4.577075 170.0773 4.161903 -4.906174      6.186361 
1 1 1 -16 10 12 o 165.3616 3.293617 372.2807       14.50154 337.6770      21.54543 400.9403       19.60780 158.2475 5.056324 172.4757 4.221993 -14.22824      6.587233 
1 1 1 -16 10 13 o 278.8442 3.699781 1048.043       27.60758 1055.512      41.47852 1042.104       36.99161 279.7073 5.507267 277.9812 4.942019 1.726044       7.399563 
1 1 1 -16 10 14 o 173.4864 3.620781 406.6739       16.38646 402.3911      26.64563 409.2788       20.78063 172.7172 5.729373 174.2556 4.428827 -1.538406      7.241562 
1 1 1 -16 10 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 10 16 o 140.1738 6.393964 274.8877       18.64882 250.8124      42.57436 280.6038       20.74487 136.0731 11.61964 144.2744 5.339958 -8.201385      12.78793 
1 1 1 -16 10 17 o 163.1527 6.067414 350.2997       21.49242 375.1701      48.32410 344.1670       23.99640 166.5248 10.77709 159.7805 5.577490 6.744263       12.13483 
1 1 1 -16 10 18 o 136.2561 7.467273 282.7549       21.12566 201.8582      45.05962 305.5466       23.91718 121.9729 13.71957 150.5393 5.900337 -28.56631      14.93455 
1 1 1 -16 10 19 o 242.0565 5.589635 776.7804       30.74961 816.3724      64.61512 765.1888       34.96238 245.8360 9.761248 238.2771 5.449232 7.558853       11.17927 
1 1 1 -16 10 20 o 116.3982 11.43885 238.6414       22.39741 123.8680      54.13884 262.3411       24.60140 93.31013 21.91999 139.4863 6.550054 -46.17617      22.87770 
1 1 1 -16 10 21 o 218.5971 6.260536 635.8984       27.18847 659.1094      67.99389 631.4808       29.66316 220.7254 11.44022 216.4688 5.089074 4.256607       12.52107 
1 1 1 -16 10 22 o 43.60496 13.49397 1.296714       20.46136 1.024740      59.15988 1.333668       21.80721 53.82010 23.00656 33.38982 14.10843 20.43027       26.98795 
1 1 1 -16 10 23 o 81.96487 13.50399 82.63332       21.62413 112.7999      60.26388 78.17525       23.16692 88.11015 24.50844 75.81960 11.34759 12.29056       27.00799 
1 1 1 -16 10 24 o 118.7450 9.288572 172.2840       22.96867 226.2460      56.96752 161.8091       25.09917 128.1907 16.50393 109.2992 8.528230 18.89149       18.57714 
1 1 1 -16 10 25 o 222.2063 7.255029 706.3851       35.65795 611.4578      73.82816 735.2666       40.72271 211.2377 12.97978 233.1749 6.485919 -21.93716      14.51006 
1 1 1 -16 10 26 o 44.20911 14.45137 -17.94721      34.32003 -37.72897     73.42370 -12.41688      38.82212 49.42990 22.95647 38.98832 17.56043 10.44157       28.90274 
1 1 1 -16 10 27 o 187.9151 18.80573 487.9821       95.15579 0.000000      0.000000 487.9821       95.15579 ?        ?        187.9151 18.80573 ?              ?        
1 1 1 -16 10 28 o 60.08635 14.11527 48.74658       31.04115 -4.929220     48.84114 85.11997       40.20578 45.68336 20.19010 74.48933 19.73126 -28.80596      28.23053 
1 1 1 -16 10 29 o 73.04829 13.95232 82.39845       27.77687 87.75860      43.27788 78.64363       36.22203 74.65837 20.77010 71.43822 18.63525 3.220154       27.90465 
1 1 1 -16 10 30 o 40.47725 12.86170 -5.754213      29.19967 -39.26318     52.17590 9.526522       35.23397 39.25387 18.58120 41.70063 17.78855 -2.446758      25.72340 
1 1 1 -16 10 31 o 46.99369 14.48098 19.28426       31.92923 30.15133      58.44418 14.66090       38.12097 51.28812 22.39392 42.69926 18.36592 8.588863       28.96195 
1 1 1 -16 10 32 o 47.56664 14.51846 37.55673       34.49213 9.127687      64.30408 49.04015       40.86893 44.64547 20.97678 50.48781 20.07780 -5.842335      29.03693 
1 1 1 -16 12 1  o 138.6503 3.392326 257.8861       12.59628 269.9473      18.99274 248.4150       16.83030 141.5259 4.983889 135.7747 4.603517 5.751251       6.784653 
1 1 1 -16 12 2  o 377.1734 4.503481 1918.085       45.72724 1946.273      65.51869 1891.314       63.84977 379.8705 6.405401 374.4763 6.332156 5.394135       9.006962 
1 1 1 -16 12 3  o 204.9907 3.429165 565.5804       18.90348 581.7704      27.58355 551.2429       25.95759 207.7488 4.930923 202.2326 4.766831 5.516190       6.858330 
1 1 1 -16 12 4  o 270.2978 3.643581 982.8004       26.47137 950.6750      36.15876 1019.904       38.85930 265.5551 5.056797 275.0404 5.247049 -9.485229      7.287161 
1 1 1 -16 12 5  o 121.1635 3.254029 198.7514       10.15764 200.9534      12.68062 194.8084       16.96855 122.1242 3.856162 120.2028 5.242599 1.921402       6.508059 
1 1 1 -16 12 6  o 91.63686 3.920689 107.9320       8.889397 100.5478      10.49197 126.7185       16.73507 86.36970 4.511412 96.90402 6.413608 -10.53432      7.841378 
1 1 1 -16 12 7  o 226.3353 3.365308 685.8747       20.38253 650.6723      27.08958 731.8072       30.94391 219.6995 4.579202 232.9711 4.932757 -13.27164      6.730615 
1 1 1 -16 12 8  o 351.6570 4.265789 1664.562       40.33852 1557.528      55.58287 1783.669       58.63390 339.7371 6.075956 363.5769 5.989204 -23.83978      8.531577 
1 1 1 -16 12 9  o 209.4076 3.303861 592.4798       18.50099 579.3806      27.67760 603.0605       24.87493 207.2933 4.958609 211.5219 4.367401 -4.228638      6.607722 
1 1 1 -16 12 10 o 257.2662 3.543100 894.8323       24.40059 867.1932      36.21436 917.8127       33.02153 253.5961 5.303405 260.9362 4.699800 -7.340103      7.086199 
1 1 1 -16 12 11 o 207.0220 3.380562 583.0101       18.67168 517.0556      27.21183 641.6900       25.66730 195.8358 5.160386 218.2082 4.368433 -22.37239      6.761124 
1 1 1 -16 12 12 o 142.1733 7.700385 261.8521       28.15946 313.9547      49.17382 236.4291       34.34923 152.1446 12.00312 132.2020 9.649291 19.94254       15.40077 
1 1 1 -16 12 13 o 327.3365 5.352095 1399.130       40.33438 1538.799      84.06274 1357.359       45.97187 337.3761 9.253497 317.2969 5.380752 20.07913       10.70419 
1 1 1 -16 12 14 o 193.9738 6.266211 511.0313       32.23229 491.6754      49.60685 525.1736       42.40287 190.7161 9.659863 197.2316 7.984275 -6.515488      12.53242 
1 1 1 -16 12 15 o 538.1266 7.117842 3859.627       90.46190 4031.844      179.2390 3800.766       104.7868 545.5301 12.20198 530.7232 7.332551 14.80688       14.23568 
1 1 1 -16 12 16 o 358.6325 5.463197 1710.958       47.01505 1791.072      90.92898 1681.725       54.92710 364.0832 9.275093 353.1819 5.775703 10.90134       10.92639 
1 1 1 -16 12 17 o 247.7632 6.323162 828.2842       42.15125 876.0468      60.41205 782.9741       58.84074 254.7293 8.807676 240.7972 9.074930 13.93205       12.64632 
1 1 1 -16 12 18 o 203.6227 6.947210 549.9609       37.66813 451.8091      49.90601 679.9073       57.42300 182.8685 10.13516 224.3768 9.504394 -41.50835      13.89442 
1 1 1 -16 12 19 o 193.6244 6.115148 530.5318       27.43481 457.6693      53.21038 556.9146       32.01879 183.9902 10.74034 203.2586 5.850226 -19.26833      12.23030 
1 1 1 -16 12 20 o 59.42639 12.41370 54.80672       23.53294 -18.86392     51.30359 74.43793       26.48342 46.01506 20.49554 72.83772 14.01187 -26.82265      24.82740 
1 1 1 -16 12 21 o 76.65965 13.71999 84.82321       23.36392 69.98222      58.10767 87.68522       25.51748 72.97115 24.77586 80.34814 11.79447 -7.376991      27.43998 
1 1 1 -16 12 22 o 190.2387 7.871870 508.7200       28.09376 468.9144      72.95531 515.6505       30.44131 185.0358 14.64259 195.4417 5.784461 -10.40588      15.74374 
1 1 1 -16 12 23 o 314.1798 6.280128 1394.869       44.76431 1230.095      90.01440 1449.008       51.59688 300.7533 11.11522 327.6063 5.849083 -26.85303      12.56026 
1 1 1 -16 12 24 o 206.7677 7.460092 588.7972       33.46476 571.3876      73.34945 593.3736       37.60685 204.0922 13.34710 209.4432 6.668333 -5.350983      14.92018 
1 1 1 -16 12 25 o 64.60397 14.44271 67.77055       33.62853 -55.84768     76.15911 97.70998       37.48024 48.50463 22.80241 80.70330 17.73184 -32.19867      28.88543 
1 1 1 -16 12 26 o 461.6668 12.11604 2896.925       150.6165 0.000000      0.000000 2896.925       150.6165 ?        ?        461.6668 12.11604 ?              ?        
1 1 1 -16 12 27 o 41.43754 13.63803 -31.58902      34.37346 -40.23526     61.47448 -27.65618      41.46044 45.20620 20.99843 37.66889 17.40832 7.537308       27.27606 
1 1 1 -16 12 28 o 40.20413 12.89202 -14.50251      29.79850 -43.87309     52.05906 -0.1903072     36.34070 39.78304 18.74853 40.62522 17.70054 -0.8421860     25.78403 
1 1 1 -16 12 29 o 80.35115 14.87547 106.1344       30.29695 109.2366      58.25383 104.9842       35.47177 78.34095 24.71029 82.36134 16.56867 -4.020393      29.75095 
1 1 1 -16 12 30 o 37.14211 12.51767 -29.50395      31.64410 -46.25079     59.79288 -22.98862      37.29507 40.04995 19.21384 34.23428 16.04981 5.815670       25.03534 
1 1 1 -16 12 31 o 56.90376 16.03498 67.17701       34.80898 84.85520      64.52552 59.92059       41.34031 59.09592 24.57004 54.71161 20.61057 4.384315       32.06997 
1 1 1 -16 14 1  o 189.8372 5.387674 450.8733       19.68962 436.8427      21.21213 538.2203       52.92617 180.0699 4.374817 199.6046 9.847289 -19.53470      10.77535 
1 1 1 -16 14 2  o 272.3057 5.166543 1003.614       33.80465 1007.638      39.72842 993.0575       64.34829 273.4232 5.396131 271.1881 8.812174 2.235168       10.33309 
1 1 1 -16 14 3  o 284.9873 5.189306 1094.696       39.82155 1094.696      39.82155 0.000000       0.000000 284.9873 5.189306 ?        ?        ?              ?        
1 1 1 -16 14 4  o 374.2671 4.422752 1888.828       44.56326 1898.524      63.70851 1879.539       62.35716 375.2024 6.305921 373.3318 6.203088 1.870544       8.845504 
1 1 1 -16 14 5  o 343.3474 4.156878 1589.433       38.42893 1592.617      54.67204 1586.325       54.02713 343.6848 5.907743 343.0101 5.849538 0.6746826      8.313755 
1 1 1 -16 14 6  o 214.5143 3.432015 620.2080       19.82205 627.1308      27.95642 613.2092       28.10942 215.7200 4.812910 213.3087 4.893955 2.411331       6.864029 
1 1 1 -16 14 7  o 173.7953 6.006192 388.5527       20.09287 436.1518      53.24280 380.6480       21.69721 179.5269 11.01407 168.0637 4.794536 11.46323       12.01238 
1 1 1 -16 14 8  o 384.1248 5.938688 1974.026       54.25920 2031.992      105.9773 1953.434       63.16612 387.6462 10.15299 380.6033 6.163513 7.042938       11.87738 
1 1 1 -16 14 9  o 369.8387 5.663091 1844.447       47.85532 1850.457      98.65034 1842.597       54.72565 369.9676 9.902651 369.7098 5.497264 0.2578125      11.32618 
1 1 1 -16 14 10 o 155.9840 6.162519 316.9251       16.66421 344.1919      49.57703 313.4521       17.69369 159.4436 11.54755 152.5243 4.308200 6.919296       12.32504 
1 1 1 -16 14 11 o 299.7134 5.125560 1175.593       35.07792 1281.352      73.84231 1144.772       39.86284 307.9883 8.904053 291.4386 5.079697 16.54965       10.25112 
1 1 1 -16 14 12 o 182.7196 5.821871 481.0704       24.76949 389.1171      46.78336 516.8865       29.19757 169.6278 10.24262 195.8114 5.537648 -26.18358      11.64374 
1 1 1 -16 14 13 o 216.9242 4.901612 618.1525       22.99834 662.9831      52.00250 607.2522       25.64233 221.5598 8.716657 212.2886 4.485879 9.271210       9.803225 
1 1 1 -16 14 14 o 227.4523 5.158629 723.1954       26.34468 652.0581      54.15289 745.2514       30.15343 219.7297 9.152704 235.1750 4.761703 -15.44525      10.31726 
1 1 1 -16 14 15 o 295.5487 4.999238 1184.252       35.00763 1164.944      68.03102 1191.207       40.82807 293.7791 8.600085 297.3183 5.099808 -3.539215      9.998475 
1 1 1 -16 14 16 f 127.0112 7.607962 228.2402       20.83965 201.0775      44.95989 235.6730       23.51871 121.8161 13.70683 132.2063 6.606599 -10.39014      15.21592 
1 1 1 -16 14 17 o 179.9130 6.662186 475.9633       29.23814 329.3996      48.43209 560.0073       36.67527 156.0424 11.52676 203.7836 6.683760 -47.74121      13.32437 
1 1 1 -16 14 18 o 96.09732 10.71194 146.9172       21.88190 94.01583      42.53945 165.9511       25.51659 81.33517 19.64469 110.8595 8.548039 -29.52431      21.42388 
1 1 1 -16 14 19 o 38.40377 12.23098 -12.03331      24.13283 -34.28757     47.94843 -4.483329      27.92806 41.08211 18.89009 35.72543 15.54193 5.356678       24.46195 
1 1 1 -16 14 20 o 278.1537 5.678306 1078.767       38.59892 968.3185      69.56065 1127.905       46.39740 267.2508 9.666320 289.0565 5.961115 -21.80569      11.35661 
1 1 1 -16 14 21 o 172.5580 8.099371 424.5215       29.69367 373.9616      65.21342 437.7455       33.35159 165.1616 14.66373 179.9545 6.882885 -14.79289      16.19874 
1 1 1 -16 14 22 o 141.5020 12.46186 395.8109       29.31085 136.8174      62.23971 469.6197       33.22593 96.59200 24.02863 186.4121 6.619415 -89.82010      24.92372 
1 1 1 -16 14 23 o 98.35156 14.80834 89.80199       30.09878 247.6469      79.93096 63.72195       32.49031 130.1611 23.67834 66.54197 17.78998 63.61918       29.61668 
1 1 1 -16 14 24 o 100.9198 14.83029 220.8602       48.45781 -7.537523     90.42729 312.8691       57.39429 55.97131 25.81133 145.8683 14.61249 -89.89703      29.66058 
1 1 1 -16 14 25 o 404.2036 13.74335 2239.771       149.5809 2239.771      149.5809 0.000000       0.000000 404.2036 13.74335 ?        ?        ?              ?        
1 1 1 -16 14 26 o 52.50500 15.38305 9.880413       38.41306 -34.45959     56.02713 49.21157       52.76779 43.44403 20.13325 61.56599 23.26381 -18.12196      30.76609 
1 1 1 -16 14 27 o 79.99055 14.82881 105.2185       35.94806 43.12011      54.41396 153.3107       47.88591 59.33562 23.30258 100.6455 18.34568 -41.30985      29.65762 
1 1 1 -16 14 28 f 64.41158 16.72948 68.72271       37.33263 42.88527      74.53053 77.37680       43.13403 60.62027 25.86584 68.20289 21.22404 -7.582615      33.45895 
1 1 1 -16 14 29 o 48.41207 15.43095 13.87907       36.85014 -9.000474     84.32504 19.27975       40.96913 51.36863 24.09902 45.45551 19.27938 5.913124       30.86190 
1 1 1 -16 14 30 o 46.64165 14.97616 22.17342       41.05855 -11.14033     74.58292 36.65968       49.18196 44.89056 21.51567 48.39274 20.83790 -3.502174      29.95233 
1 1 1 -16 16 1  o 302.7919 6.649388 1238.295       54.18655 1240.881      77.91153 1235.873       75.41227 303.0829 9.546779 302.5008 9.258319 0.5821838      13.29878 
1 1 1 -16 16 2  o 377.0710 7.086066 1921.172       71.94568 1928.043      102.0968 1914.394       101.3999 377.7384 10.03777 376.4035 10.00462 1.334900       14.17213 
1 1 1 -16 16 3  o 120.6743 10.45133 195.7165       33.71774 232.0011      50.18460 165.8589       45.52357 130.8074 14.24803 110.5411 15.29428 20.26630       20.90266 
1 1 1 -16 16 4  o 206.4029 5.608579 554.7401       24.82660 608.3784      57.07523 542.2229       27.57163 212.2116 9.988384 200.5942 5.104587 11.61734       11.21716 
1 1 1 -16 16 5  o 164.5266 6.298282 384.1560       18.03400 341.2818      50.77667 390.3448       19.29173 158.8311 11.87259 170.2221 4.208932 -11.39104      12.59656 
1 1 1 -16 16 6  o 243.6034 5.222192 829.0197       25.85671 757.2239      60.86957 844.8273       28.56172 236.7846 9.546924 250.4222 4.235729 -13.63765      10.44438 
1 1 1 -16 16 7  o 619.1022 8.016599 5149.231       112.7998 5247.632      235.1421 5119.819       128.5574 622.1825 14.03555 616.0218 7.750283 6.160706       16.03320 
1 1 1 -16 16 8  o 380.9073 5.692920 1918.921       46.38334 2022.398      105.9958 1894.412       51.58451 386.8745 10.17501 374.9402 5.109448 11.93436       11.38584 
1 1 1 -16 16 9  o 87.34480 10.69066 118.7443       13.25781 90.10872      44.78006 121.4955       13.88009 79.74276 20.68057 94.94683 5.429106 -15.20407      21.38132 
1 1 1 -16 16 10 o 248.3076 5.219979 802.9150       25.75046 874.8524      65.19823 789.6194       28.02924 254.5156 9.513447 242.0995 4.299658 12.41612       10.43996 
1 1 1 -16 16 11 o 330.4514 5.248456 1531.711       39.81432 1359.969      78.94370 1590.296       46.10775 317.3623 9.238018 343.5405 4.984396 -26.17825      10.49691 
1 1 1 -16 16 12 o 59.93746 12.77169 37.08605       15.82155 69.61628      47.03556 32.93573       16.80054 71.42332 22.15279 48.45161 12.71684 22.97171       25.54338 
1 1 1 -16 16 13 o 304.1567 5.217253 1240.583       35.50514 1261.074      75.66316 1234.796       40.20676 305.5974 9.194993 302.7161 4.932649 2.881378       10.43451 
1 1 1 -16 16 14 o 430.9214 6.032512 2515.988       60.80750 2487.759      120.6458 2525.601       70.40399 429.0120 10.44382 432.8308 6.040817 -3.818848      12.06502 
1 1 1 -16 16 15 o 327.2795 5.432884 1403.232       40.17783 1523.173      85.77496 1369.519       45.47517 335.7882 9.486625 318.7709 5.298004 17.01730       10.86577 
1 1 1 -16 16 16 o 189.7179 5.916149 469.5595       25.58622 518.6851      54.14104 455.4331       29.03284 195.6929 10.27468 183.7429 5.868073 11.94995       11.83230 
1 1 1 -16 16 17 o 94.78587 12.02440 157.7295       23.03237 76.52624      48.94215 180.8293       26.10360 73.93555 22.54024 115.6362 8.383456 -41.70066      24.04880 
1 1 1 -16 16 18 o 381.6705 6.384333 1985.969       64.21714 1909.806      100.7551 2038.076       83.33749 375.2084 9.972660 388.1326 7.974013 -12.92422      12.76867 
1 1 1 -16 16 19 o 225.3418 7.277508 676.6512       43.31295 755.6116      69.72099 627.0262       55.27246 235.7038 10.98534 214.9797 9.548342 20.72412       14.55502 
1 1 1 -16 16 20 o 423.3807 11.47337 2439.584       130.7993 2439.584      130.7993 0.000000       0.000000 423.3807 11.47337 ?        ?        ?              ?        
1 1 1 -16 16 21 o 145.4577 21.31745 298.5822       83.49400 298.5822      83.49400 0.000000       0.000000 145.4577 21.31745 ?        ?        ?              ?        
1 1 1 -16 16 22 o 96.22063 17.80741 145.1122       46.11129 111.9859      79.40959 161.9640       56.63843 87.24179 28.95867 105.1995 20.73189 -17.95769      35.61483 
1 1 1 -16 16 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 16 24 o 46.13802 15.03384 -45.93754      50.24613 -230.0795     92.96655 30.04976       59.72015 37.99951 19.17954 54.27653 23.15623 -16.27702      30.06769 
1 1 1 -16 16 25 o 112.2422 14.34774 235.3028       37.79914 99.30576      64.93946 304.9886       46.48536 77.21181 26.19197 147.2725 11.72225 -70.06070      28.69548 
1 1 1 -16 16 26 o 70.81831 15.82600 84.36311       36.37447 31.57475      66.02379 107.3682       43.58564 58.82217 24.68492 82.81445 19.81171 -23.99228      31.65200 
1 1 1 -16 16 27 o 81.18976 18.50823 117.3455       40.09602 123.8484      101.2826 116.1369       43.66326 78.00150 31.40560 84.37803 19.59355 -6.376534      37.01646 
1 1 1 -16 16 28 o 56.04810 15.90956 49.08948       41.56925 -63.70543     91.51373 78.41352       46.66093 46.86853 22.79359 65.22767 22.20156 -18.35914      31.81913 
1 1 1 -16 16 29 o 44.72336 14.89643 4.590309       37.58668 44.22030      82.09147 -5.921327      42.27866 51.90867 24.16282 37.53805 17.42907 14.37062       29.79286 
1 1 1 -16 18 1  o 184.9493 8.302618 466.6829       41.22355 441.5842      59.55140 489.7757       57.12223 180.0705 12.28191 189.8281 11.17535 -9.757568      16.60524 
1 1 1 -16 18 2  o 254.6102 7.108875 877.1058       48.64694 902.5407      71.38249 855.0489       66.47382 258.0130 10.27464 251.2073 9.827316 6.805679       14.21775 
1 1 1 -16 18 3  o 157.9010 8.921834 341.8644       37.56825 312.4337      55.56683 366.6439       50.98717 151.4593 13.62499 164.3427 11.52198 -12.88336      17.84367 
1 1 1 -16 18 4  o 388.8599 6.183637 2071.698       59.07522 1980.100      107.3622 2111.474       70.74834 382.2334 10.43132 395.4864 6.643566 -13.25305      12.36727 
1 1 1 -16 18 5  o 288.1132 5.181380 1122.493       30.03385 1117.922      73.21323 1123.418       32.93241 287.4954 9.457478 288.7310 4.235910 -1.235565      10.36276 
1 1 1 -16 18 6  o 220.8423 5.473520 646.1535       20.23355 674.0186      62.06128 642.8394       21.40298 223.2354 10.32463 218.4493 3.638651 4.786087       10.94704 
1 1 1 -16 18 7  o 358.9796 5.514435 1713.671       41.85492 1780.698      96.77836 1698.250       46.42075 362.9668 9.902115 354.9923 4.856348 7.974457       11.02887 
1 1 1 -16 18 8  o 227.8231 5.361696 711.8422       22.62712 684.6268      60.46431 716.2741       24.40005 225.0613 9.977344 230.5849 3.929855 -5.523666      10.72339 
1 1 1 -16 18 9  o 121.0773 8.842814 235.9772       15.60723 157.1038      49.43344 244.7099       16.44855 107.3920 17.09486 134.7625 4.532888 -27.37055      17.68563 
1 1 1 -16 18 10 o 355.0433 5.975180 1727.858       52.45732 1637.377      94.07417 1768.687       63.19408 347.9691 10.04029 362.1176 6.481021 -14.14847      11.95036 
1 1 1 -16 18 11 o 522.4490 7.021229 3658.796       82.43991 3758.628      174.9267 3630.291       93.47115 526.2438 12.34485 518.6541 6.692931 7.589661       14.04246 
1 1 1 -16 18 12 o 160.3613 6.550764 335.5208       21.01120 367.1071      52.75974 329.5670       22.90599 164.4083 11.91778 156.3142 5.442108 8.094116       13.10153 
1 1 1 -16 18 13 o 499.7039 7.134710 3436.533       92.33126 3177.644      149.8590 3594.942       117.2235 483.8205 11.50311 515.5872 8.443627 -31.76663      14.26942 
1 1 1 -16 18 14 o 421.1058 6.466627 2405.978       69.15396 2385.911      119.3710 2416.115       84.84102 419.3820 10.57075 422.8295 7.451732 -3.447449      12.93325 
1 1 1 -16 18 15 o 285.4729 5.815072 1117.494       42.71376 1051.738      70.73137 1155.239       53.58847 278.5416 9.430584 292.4041 6.806197 -13.86249      11.63014 
1 1 1 -16 18 16 o 83.87840 13.44819 109.5643       30.08920 60.09881      50.07694 137.5135       37.64186 67.50071 22.99976 100.2561 13.94367 -32.75539      26.89637 
1 1 1 -16 18 17 o 110.7561 12.98043 185.5326       34.68357 133.4431      57.12979 215.9379       43.64776 95.73502 22.53601 125.7771 12.88775 -30.04211      25.96085 
1 1 1 -16 18 18 o 45.74622 14.73966 -62.21136      38.43308 16.35836      67.79308 -99.42296      46.65486 60.23643 25.12605 31.25602 15.41791 28.98041       29.47932 
1 1 1 -16 18 19 o 206.6928 9.455910 580.3784       47.51249 599.4509      89.46767 572.8868       56.07280 208.2209 15.95726 205.1646 10.15001 3.056366       18.91182 
1 1 1 -16 18 20 o 88.57933 18.31905 101.4736       43.58496 172.4634      81.98679 73.50794       51.45868 105.4908 28.28403 71.66788 23.28871 33.82288       36.63810 
1 1 1 -16 18 21 o 65.83722 19.38853 16.21645       58.57388 -95.14254     113.4413 56.69754       68.39661 60.50458 28.24427 71.16985 26.56919 -10.66528      38.77707 
1 1 1 -16 18 22 o 40.82877 14.36278 -157.0656      58.28534 -423.6373     128.9496 -88.61990      65.34104 41.53889 21.13631 40.11864 19.45287 1.420246       28.72556 
1 1 1 -16 18 23 f 43.85248 14.76522 -42.48959      39.12345 -64.66329     84.72054 -36.47924      44.10825 50.40132 23.80280 37.30363 17.47781 13.09768       29.53045 
1 1 1 -16 18 24 o 43.51114 13.93922 -9.631520      31.21596 -15.00316     61.61098 -7.776352      36.20733 48.43297 21.93945 38.58931 17.20083 9.843666       27.87844 
1 1 1 -16 18 25 o 55.84132 15.58130 39.94622       33.12729 49.32673      56.85387 35.12440       40.76172 59.59760 23.68714 52.08505 20.24911 7.512543       31.16259 
1 1 1 -16 18 26 o 53.58669 14.50258 31.97993       33.60749 -19.69897     49.33944 76.71033       45.90277 40.73819 18.88429 66.43520 22.01550 -25.69702      29.00515 
1 1 1 -16 18 27 f 51.86609 14.89092 39.82783       32.76544 59.54299      48.73868 23.57010       44.25920 57.29677 22.17898 46.43541 19.87588 10.86136       29.78184 
1 1 1 -16 18 28 o 35.29003 11.89907 -25.36357      31.30476 -2.319157     46.18434 -44.95000      42.57842 39.03584 18.15499 31.54422 15.38659 7.491619       23.79813 
1 1 1 -16 20 1  o 107.4578 17.02864 171.3123       48.21087 144.1463      69.06822 197.1252       67.32609 98.46368 25.75602 116.4519 22.28286 -17.98822      34.05728 
1 1 1 -16 20 2  o 139.0517 11.94503 271.7114       43.29684 348.4569      61.26985 195.1602       61.19219 159.5209 14.26415 118.5825 19.16426 40.93844       23.89006 
1 1 1 -16 20 3  o 204.3066 8.062963 566.8154       44.30721 594.5786      64.53568 542.0609       60.93863 209.0169 11.46661 199.5963 11.33853 9.420532       16.12593 
1 1 1 -16 20 4  o 108.0276 11.06566 176.0130       14.94146 148.2328      56.93222 178.0680       15.48422 101.1731 21.55782 114.8822 5.005566 -13.70918      22.13132 
1 1 1 -16 20 5  o 369.1790 5.847202 1885.293       46.11148 1780.060      102.5940 1911.933       51.61911 361.9271 10.52731 376.4309 5.092627 -14.50388      11.69440 
1 1 1 -16 20 6  o 52.49068 10.91451 44.27568       10.99648 -23.94551     53.74158 47.25681       11.23418 45.85733 20.65698 59.12402 7.056574 -13.26669      21.82902 
1 1 1 -16 20 7  o 395.2174 6.092036 2090.474       50.42253 2156.071      117.7256 2075.737       55.79974 398.2274 10.97883 392.2074 5.283637 6.019958       12.18407 
1 1 1 -16 20 8  o 178.6028 6.338216 393.1791       19.98433 486.4341      59.95922 381.5250       21.19630 189.0163 11.78076 168.1893 4.680349 20.82700       12.67643 
1 1 1 -16 20 9  o 50.96700 13.49141 23.43739       15.62504 36.35036      55.09615 22.30801       16.29401 61.06035 23.59640 40.87365 13.08747 20.18670       26.98281 
1 1 1 -16 20 10 o 132.1861 9.100972 234.6234       25.80496 244.9336      58.46177 232.1286       28.75810 133.4254 16.27234 130.9468 8.156086 2.478577       18.20194 
1 1 1 -16 20 11 o 175.1473 7.637308 427.3603       30.02440 398.2655      62.18058 436.2062       34.28624 170.6771 13.52994 179.6176 7.089043 -8.940414      15.27462 
1 1 1 -16 20 12 o 176.7836 7.364503 384.2988       30.09595 506.1247      64.65068 350.5945       34.00521 192.6177 12.46504 160.9495 7.846434 31.66815       14.72901 
1 1 1 -16 20 13 o 263.6155 6.359662 919.5134       39.52432 988.3257      79.02783 896.5598       45.64276 269.6327 10.88489 257.5982 6.580300 12.03452       12.71932 
1 1 1 -16 20 14 o 148.8272 9.835978 315.2513       34.32731 277.6781      65.57333 329.4351       40.28891 141.8404 17.16895 155.8140 9.602752 -13.97354      19.67196 
1 1 1 -16 20 15 o 75.96907 16.08704 61.54648       35.54492 144.5527      65.42043 26.77862       42.33963 98.74828 24.67386 53.18987 20.64878 45.55840       32.17408 
1 1 1 -16 20 16 o 97.25338 26.92555 141.5108       72.91576 141.5108      72.91576 0.000000       0.000000 97.25338 26.92555 ?        ?        ?              ?        
1 1 1 -16 20 17 o 267.0171 12.13096 975.6163       87.22031 975.6163      87.22031 0.000000       0.000000 267.0171 12.13096 ?        ?        ?              ?        
1 1 1 -16 20 18 o 45.19334 14.65055 -51.30138      45.92137 -201.0593     82.52132 15.87702       55.26956 37.81946 18.95038 52.56723 22.34809 -14.74778      29.30109 
1 1 1 -16 20 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 20 20 o 46.74275 15.85349 -36.89293      48.42599 -73.34277     105.7243 -27.21535      54.47664 51.61605 24.95912 41.86945 19.55440 9.746597       31.70698 
1 1 1 -16 20 21 o 55.76616 16.35898 29.55240       37.79663 -61.62353     94.88656 46.74775       41.20691 53.58043 25.26937 57.95189 20.78278 -4.371456      32.71796 
1 1 1 -16 20 22 o 63.46582 17.30425 53.71759       36.15464 41.68304      85.70715 56.32269       39.87627 65.63702 27.86472 61.29463 20.52574 4.342384       34.60851 
1 1 1 -16 20 23 o 45.27966 14.97722 -20.77903      38.37417 -31.83646     81.40760 -17.62012      43.51165 51.07427 23.87038 39.48504 18.09623 11.58923       29.95445 
1 1 1 -16 20 24 o 50.82014 15.96117 -10.59496      40.03187 67.53500      75.25447 -41.42897      47.27576 64.96286 26.72721 36.67741 17.45544 28.28545       31.92235 
1 1 1 -16 20 25 o 87.19737 17.14127 124.5547       37.72730 212.5378      75.41197 95.18277       43.57194 101.7595 27.05530 72.63522 21.05478 29.12431       34.28255 
1 1 1 -16 20 26 f 35.06950 11.98757 -38.17829      34.25311 -60.68831     55.44230 -24.28224      43.56110 34.94754 17.15329 35.19146 16.75028 -0.2439232     23.97514 
1 1 1 -16 22 1  o 184.1614 15.88060 465.3851       77.46368 360.5280      104.0487 595.7772       116.0281 160.7512 24.03803 207.5715 20.75927 -46.82033      31.76121 
1 1 1 -16 22 2  o 66.72358 19.33061 39.51950       59.56154 -25.33823     83.86091 105.5404       84.60957 54.08444 24.91063 79.36272 29.56604 -25.27828      38.66122 
1 1 1 -16 22 3  f 229.2540 10.20694 745.7459       62.24963 816.0547      84.75624 663.4007       91.72466 242.0010 13.00682 216.5070 15.73369 25.49394       20.41388 
1 1 1 -16 22 4  f 93.18222 14.73667 130.0474       20.22422 112.2985      76.55984 131.3789       20.96908 87.90839 28.39218 98.45604 7.909583 -10.54765      29.47334 
1 1 1 -16 22 5  o 240.0222 7.158940 782.6084       26.26974 784.8295      88.07451 782.3915       27.52249 239.1973 13.67447 240.8472 4.243878 -1.649841      14.31788 
1 1 1 -16 22 6  o 317.0575 6.915658 1347.218       48.21473 1401.246      105.6531 1333.006       54.18600 320.1253 12.25685 313.9897 6.408971 6.135620       13.83132 
1 1 1 -16 22 7  o 420.6349 7.496829 2396.173       84.91145 0.000000      0.000000 2396.173       84.91145 ?        ?        420.6349 7.496829 ?              ?        
1 1 1 -16 22 8  o 151.2377 10.75749 310.6827       28.47149 321.7344      82.25796 309.1785       30.34730 151.3768 20.18065 151.0986 7.458926 0.2782745      21.51497 
1 1 1 -16 22 9  o 72.65929 16.31452 57.37808       27.60282 109.1908      72.09544 48.47853       29.87951 86.66265 27.50620 58.65593 17.55173 28.00672       32.62904 
1 1 1 -16 22 10 o 95.88550 14.44702 102.6911       31.12086 204.8534      70.01127 77.53386       34.74191 118.4880 22.77104 73.28294 17.78611 45.20510       28.89405 
1 1 1 -16 22 11 o 81.96593 15.99947 83.52156       32.65631 135.6064      66.55109 67.00314       37.47863 95.59608 25.41594 68.33578 19.44125 27.26029       31.99894 
1 1 1 -16 22 12 o 119.3685 13.26344 142.9409       34.47900 330.8453      83.93650 104.7987       37.81684 153.2721 20.33781 85.46491 17.03082 67.80723       26.52688 
1 1 1 -16 22 13 o 128.5084 12.94717 222.8540       37.66209 282.6127      81.91966 206.8379       42.40981 135.8438 22.39572 121.1729 12.99802 14.67088       25.89434 
1 1 1 -16 22 14 o 52.57733 16.02468 8.136903       40.96963 -79.54277     86.49446 33.49910       46.51920 49.80674 23.67682 55.34792 21.60022 -5.541176      32.04936 
1 1 1 -16 22 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 22 16 o 175.0579 22.69143 430.9140       106.9614 430.9140      106.9614 0.000000       0.000000 175.0579 22.69143 ?        ?        ?              ?        
1 1 1 -16 22 17 o 40.41192 20.31277 -231.2392      98.55972 -231.2392     98.55972 0.000000       0.000000 40.41192 20.31277 ?        ?        ?              ?        
1 1 1 -16 22 18 o 136.8621 13.43297 257.4748       43.03712 313.5040      88.44452 240.0925       49.26270 143.3882 22.90732 130.3360 14.03688 13.05222       26.86595 
1 1 1 -16 22 19 o 55.31602 17.07156 10.88235       40.30908 42.10141      85.99258 2.090962       45.63307 65.32811 27.82688 45.30394 19.78428 20.02417       34.14313 
1 1 1 -16 22 20 f 48.07247 15.41643 -5.058561      36.19871 -18.49681     79.80432 -1.577456      40.61753 53.87942 24.62412 42.26553 18.55581 11.61390       30.83286 
1 1 1 -16 22 21 o 55.50189 16.82986 19.79612       40.53354 63.38191      77.51034 3.390177       47.55408 65.62939 27.07760 45.37439 19.99451 20.25501       33.65973 
1 1 1 -16 22 22 o 56.85356 16.82530 42.07088       41.40828 29.54675      77.12492 47.14326       49.08250 57.28122 25.34080 56.42590 22.14060 0.8553123      33.65059 
1 1 1 -16 22 23 o 54.21206 16.34397 41.19707       42.33437 -12.41936     87.14401 57.75918       48.43356 50.75699 24.02265 57.66712 22.16785 -6.910130      32.68794 
1 1 1 -16 22 24 o 42.12386 14.43740 -21.22358      42.89499 -37.88818     94.39730 -16.88712      48.15370 46.14461 22.59398 38.10311 17.97961 8.041496       28.87480 
1 1 1 -16 22 25 o 35.99052 12.95540 -94.40168      44.04995 -59.18367     97.66879 -103.3948      49.35474 43.36966 21.55400 28.61139 14.38035 14.75827       25.91080 
1 1 1 -16 24 1  o 75.16459 18.48823 91.66843       48.96603 128.2855      65.39593 44.94259       73.87328 86.85975 25.96055 63.46943 26.33075 23.39032       36.97646 
1 1 1 -16 24 2  o 81.56345 19.89277 111.1778       52.76655 107.6130      70.54818 115.7043       79.49709 80.44823 27.29959 82.67867 28.94169 -2.230446      39.78553 
1 1 1 -16 24 3  o 54.07564 15.16615 32.18974       23.05684 -8.211582     81.96249 35.66166       24.02713 57.93467 25.84764 50.21662 15.87286 7.718048       30.33230 
1 1 1 -16 24 4  o 255.2230 7.841632 867.8494       40.47493 958.5036      99.85909 850.0285       44.27482 260.4865 14.23702 249.9596 6.578147 10.52684       15.68326 
1 1 1 -16 24 5  o 84.71059 15.05136 141.3795       27.36320 67.52837      87.83415 149.3173       28.79623 66.65125 28.24690 102.7699 10.40605 -36.11870      30.10271 
1 1 1 -16 24 6  o 158.0549 10.64825 369.9041       33.02147 364.6081      80.66335 370.9703       36.19320 152.4595 19.64891 163.6504 8.213468 -11.19095      21.29649 
1 1 1 -16 24 7  o 207.1047 10.57768 636.6896       41.07032 581.3262      104.5984 646.7809       44.65675 196.8741 19.73118 217.3353 7.630861 -20.46120      21.15536 
1 1 1 -16 24 8  o 59.49617 27.30696 -28.10259      99.57098 -28.10259     99.57098 0.000000       0.000000 59.49617 27.30696 ?        ?        ?              ?        
1 1 1 -16 24 9  o 43.33812 14.77668 -40.99612      35.31336 -44.27050     89.27308 -40.38873      38.44938 53.39297 24.96792 33.28328 15.81151 20.10970       29.55336 
1 1 1 -16 24 10 o 67.58327 28.15528 72.56216       84.97338 72.56216      84.97338 0.000000       0.000000 67.58327 28.15528 ?        ?        ?              ?        
1 1 1 -16 24 11 o 208.9455 8.659516 571.0916       42.50613 742.8445      88.38261 519.4126       48.48108 224.9930 14.58863 192.8980 9.333858 32.09505       17.31903 
1 1 1 -16 24 12 o 144.4737 10.85969 273.3705       37.96130 352.0296      75.23581 246.5056       43.96854 155.9577 17.91572 132.9897 12.27836 22.96802       21.71938 
1 1 1 -16 24 13 o 79.73251 17.44037 95.31712       37.40872 102.6135      76.73202 93.04222       42.84540 81.25626 28.43446 78.20876 20.20265 3.047508       34.88074 
1 1 1 -16 24 14 o 46.69588 14.93855 -9.648186      37.71043 -26.52906     69.41555 -2.580234      44.91653 49.35771 22.70768 44.03405 19.41654 5.323654       29.87709 
1 1 1 -16 24 15 f 46.93186 14.92310 -34.53691      36.61800 41.46107      67.96616 -65.61924      43.46588 61.49388 25.36172 32.36983 15.73465 29.12405       29.84621 
1 1 1 -16 24 16 o 88.20242 16.60896 119.6012       38.16040 148.8914      67.56694 105.8823       46.24146 94.37960 25.83357 82.02525 20.88196 12.35435       33.21791 
1 1 1 -16 24 17 o 117.1832 14.24054 214.9413       40.86510 208.9180      70.46802 217.9933       50.16088 112.1188 24.06160 122.2475 15.23848 -10.12872      28.48108 
1 1 1 -16 24 18 o 57.98256 16.35494 44.85991       36.85796 50.94245      63.97337 41.83762       45.09462 60.88464 24.79835 55.08048 21.33021 5.804161       32.70988 
1 1 1 -16 24 19 o 54.81983 16.02067 32.43391       38.85855 62.15387      58.90993 9.542218       51.70153 62.12470 24.29004 47.51496 20.89598 14.60974       32.04135 
1 1 1 -16 24 20 o 56.98953 16.17905 51.94621       38.04327 40.79602      60.06213 59.41671       49.16258 55.01260 23.33876 58.96646 22.41315 -3.953857      32.35810 
1 1 1 -16 24 21 o 43.82111 14.22120 -6.625018      37.87937 30.66210      58.75041 -33.15331      49.55484 50.50665 22.24170 37.13556 17.72787 13.37108       28.44241 
1 1 1 -16 24 22 o 39.22675 12.80502 -6.800548      32.79651 24.60102      45.71949 -40.08842      47.07265 44.49247 19.60551 33.96103 16.47722 10.53144       25.61005 
1 1 1 -16 26 1  o 201.0602 10.48706 615.1784       55.42195 528.8470      83.24768 683.9017       74.27454 185.5056 16.66602 216.6149 12.73410 -31.10931      20.97411 
1 1 1 -16 26 2  o 54.01352 13.48432 45.10142       19.41517 -12.40430     74.70624 49.26675       20.10603 50.85666 23.45546 57.17038 13.30974 -6.313721      26.96865 
1 1 1 -16 26 3  o 196.9855 5.942966 573.6517       28.28633 449.5984      49.51588 633.7453       34.46312 178.6623 10.29268 215.3087 5.944423 -36.64639      11.88593 
1 1 1 -16 26 4  o 87.46990 15.37131 116.3930       25.09786 137.9191      78.07668 113.9123       26.50457 85.18046 28.72021 89.75935 10.96624 -4.578888      30.74262 
1 1 1 -16 26 5  o 65.71599 12.57709 75.65594       24.27106 23.12039      50.53283 91.40965       27.67186 51.56030 21.61445 79.87167 12.86655 -28.31138      25.15418 
1 1 1 -16 26 6  o 145.0495 8.369498 305.5473       27.84199 280.5009      55.19699 314.0945       32.24454 139.0447 14.74271 151.0542 7.927570 -12.00948      16.73900 
1 1 1 -16 26 7  o 72.11818 13.90113 82.62868       25.72157 74.89127      51.56517 85.19159       29.67734 68.64001 23.33926 75.59635 15.10778 -6.956345      27.80226 
1 1 1 -16 26 8  o 34.94566 15.54677 -6.402105      29.42733 0.000000      0.000000 -6.402105      29.42733 ?        ?        34.94566 15.54677 ?              ?        
1 1 1 -16 26 9  o 100.8144 11.18752 136.8496       27.97725 180.1927      53.19476 120.2759       32.89422 109.8251 17.98805 91.80367 13.30688 18.02140       22.37505 
1 1 1 -16 26 10 o 47.56258 14.04944 -7.830898      30.25377 58.59248      53.70697 -38.70552      36.61602 62.84580 23.52761 32.27936 15.36223 30.56644       28.09888 
1 1 1 -16 26 11 o 91.34468 13.06251 109.7473       30.21187 203.5984      55.80059 70.82625       35.93449 115.9234 17.87657 66.76592 19.05111 49.15751       26.12501 
1 1 1 -16 26 12 o 69.36508 14.79948 83.70775       31.17747 48.83432      55.96383 99.40196       37.54308 59.28010 23.51992 79.45006 17.96974 -20.16996      29.59895 
1 1 1 -16 26 13 o 62.56340 16.02659 56.81315       32.35297 85.06013      59.62166 45.02439       38.51696 70.08716 25.01326 55.03964 20.04354 15.04752       32.05319 
1 1 1 -16 26 14 o 112.8854 11.72883 186.4483       33.68812 217.0598      59.53764 172.0322       40.85772 117.6083 18.80053 108.1624 14.02861 9.445969       23.45766 
1 1 1 -16 26 15 o 101.6073 13.01278 153.0831       33.78806 221.8938      57.30056 116.4039       41.83509 118.8864 17.89960 84.32822 18.89269 34.55819       26.02555 
1 1 1 -16 26 16 o 56.88563 15.83180 50.04854       34.25292 62.76715      58.21545 43.31398       42.36166 60.50592 23.99405 53.26534 20.66081 7.240582       31.66359 
1 1 1 -16 26 17 o 66.00429 15.47915 83.94154       34.09036 53.93276      53.53671 104.4076       44.21250 56.30307 22.77544 75.70550 20.96892 -19.40243      30.95830 
1 1 1 -16 26 18 o 41.73887 13.38349 0.1904415      33.63545 -28.30743     49.23169 25.13667       46.06180 37.23890 17.74747 46.23885 20.03742 -8.999950      26.76697 
1 1 1 -16 26 19 o 46.20817 14.06100 32.83054       31.53008 35.32215      41.30593 29.35173       48.80755 46.49391 19.51879 45.92242 20.24511 0.5714836      28.12201 
1 1 1 -16 28 1  o 63.46115 8.243227 53.73989       13.07509 33.76546      15.66671 99.58347       23.73448 45.71819 12.40880 81.20412 10.85471 -35.48593      16.48645 
1 1 1 -16 28 2  o 29.56598 9.065263 -3.832863      15.03169 16.46204      19.96781 -30.37621      22.83572 35.59915 14.07284 23.53280 11.43115 12.06635       18.13053 
1 1 1 -16 28 3  o 54.61924 10.27152 47.04276       18.49490 9.217392      25.63211 88.12498       26.71282 35.25217 15.10839 73.98631 13.91951 -38.73414      20.54303 
1 1 1 -16 28 4  o 41.69022 11.49298 21.56145       20.00707 0.9631659     29.39395 39.34183       27.30945 34.81275 15.50923 48.56768 16.96522 -13.75493      22.98597 
1 1 1 -16 28 5  o 100.3262 8.587939 149.9135       22.88969 155.2892      35.52963 146.0992       29.92815 101.0729 13.05487 99.57961 11.16159 1.493279       17.17588 
1 1 1 -16 28 6  o 63.25441 13.16361 69.22423       23.46007 73.69861      38.24484 66.52489       29.70537 63.77742 20.00769 62.73139 17.11185 1.046036       26.32723 
1 1 1 -16 28 7  o 46.39362 12.91469 26.44677       23.21043 48.99648      38.54757 13.62141       29.07109 53.74046 19.96907 39.04678 16.38270 14.69368       25.82937 
1 1 1 -16 28 8  o 93.88732 11.04569 144.8263       25.43377 120.3771      41.49568 159.5383       32.18892 83.62827 18.87529 104.1464 11.47833 -20.51811      22.09138 
1 1 1 -16 28 9  f 74.10953 12.92306 91.33204       25.12530 109.7931      40.66488 79.93275       31.95438 79.28375 19.24266 68.93530 17.25521 10.34845       25.84612 
1 1 1 -16 28 10 o 34.62968 11.45248 -18.75361      26.07616 -11.79390     40.55285 -23.65981      34.04855 37.24121 17.21280 32.01814 15.11149 5.223080       22.90497 
1 1 1 -16 28 11 o 82.04962 13.16380 118.4148       28.21037 110.1285      43.52172 124.4190       37.04686 77.26350 20.55873 86.83574 16.44629 -9.572243      26.32759 
1 1 1 -16 28 12 o 45.32458 13.37761 26.07327       28.12084 6.257988      43.38401 40.43069       36.92904 41.27703 18.57999 49.37214 19.25165 -8.095100      26.75522 
1 1 1 -16 28 13 o 77.95641 12.97375 111.5639       29.19263 161.6727      41.91211 64.34766       40.68446 98.87199 15.74283 57.04082 20.62609 41.83117       25.94749 
1 1 1 -16 28 14 o 33.48731 11.13078 -18.94680      26.47941 1.777772      35.17788 -46.04094      40.22208 36.47212 16.54412 30.50250 14.89526 5.969620       22.26155 
1 1 1 -16 28 15 o 43.66518 13.13081 26.88885       26.71815 20.80956      35.19052 35.16273       41.05386 41.16039 17.67328 46.16997 19.42491 -5.009579      26.26161 
1 1 1 -15 1  1  o 137.6914 3.570769 255.5294       13.22135 272.6793      18.81113 238.7867       18.58652 142.2615 4.910710 133.1213 5.185219 9.140121       7.141538 
1 1 1 -15 1  2  o 428.0215 4.795305 2469.162       55.26440 2485.085      78.61234 2453.604       77.70686 429.3844 6.799250 426.6585 6.763875 2.725922       9.590611 
1 1 1 -15 1  3  o 408.3469 4.604889 2246.634       50.63255 2244.402      71.48006 2248.881       71.73108 408.1438 6.504117 408.5501 6.520467 -0.4062805     9.209779 
1 1 1 -15 1  4  o 175.5138 3.284435 414.9747       15.50653 417.5548      21.48767 412.1709       22.39984 176.0844 4.531949 174.9431 4.755155 1.141296       6.568871 
1 1 1 -15 1  5  o 675.5291 7.224388 6150.225       131.3962 6099.014      184.2228 6203.253       187.4641 672.6706 10.17086 678.3875 10.26259 -5.716919      14.44878 
1 1 1 -15 1  6  o 383.3275 4.305807 1978.247       44.43108 1947.407      61.95192 2010.910       63.75702 380.2534 6.050599 386.4016 6.127816 -6.148224      8.611613 
1 1 1 -15 1  7  o 624.7390 6.684129 5259.124       112.4414 5251.617      158.8516 5266.663       159.1812 624.2924 9.449746 625.1856 9.455824 -0.8931885     13.36826 
1 1 1 -15 1  8  o 108.5063 3.557179 158.5173       10.39146 160.3283      14.85534 156.7820       14.54118 109.1129 5.056186 107.8997 5.004906 1.213234       7.114358 
1 1 1 -15 1  9  f 369.5809 4.147666 1836.999       41.23674 1782.785      56.82741 1897.296       59.93144 363.8309 5.800626 375.3308 5.930032 -11.49994      8.295333 
1 1 1 -15 1  10 o 335.9713 3.889694 1520.035       35.18294 1530.452      50.27449 1510.036       49.25361 337.0985 5.538694 334.8441 5.462759 2.254364       7.779387 
1 1 1 -15 1  11 f 293.3208 3.598359 1158.003       28.40854 1133.669      39.48317 1184.123       40.90607 290.1286 5.054033 296.5130 5.123428 -6.384430      7.196719 
1 1 1 -15 1  12 o 114.4906 4.289929 178.2209       13.06102 189.0532      17.48976 164.5634       19.63855 118.4669 5.482814 110.5143 6.599449 7.952576       8.579859 
1 1 1 -15 1  13 o 220.8144 4.400501 656.7966       26.16453 656.7966      26.16453 0.000000       0.000000 220.8144 4.400501 ?        ?        ?              ?        
1 1 1 -15 1  14 o 420.0366 6.625851 2378.597       74.93974 2378.597      74.93974 0.000000       0.000000 420.0366 6.625851 ?        ?        ?              ?        
1 1 1 -15 1  15 o 337.1399 5.587904 1532.349       50.72739 0.000000      0.000000 1532.349       50.72739 ?        ?        337.1399 5.587904 ?              ?        
1 1 1 -15 1  16 o 136.4681 3.486495 252.1349       12.73184 239.6983      18.81255 262.6451       17.29420 133.3388 5.239714 139.5974 4.600867 -6.258545      6.972989 
1 1 1 -15 1  17 o 129.9866 3.532009 226.6408       12.27989 237.8494      18.64694 218.0573       16.31794 132.8002 5.214653 127.1730 4.765265 5.627205       7.064018 
1 1 1 -15 1  18 o 155.3015 3.267287 326.4048       13.59807 309.1370      19.89838 341.5346       18.62578 151.4212 4.880312 159.1817 4.345481 -7.760513      6.534574 
1 1 1 -15 1  19 o 263.6324 3.402680 935.7581       24.11505 956.9653      35.28642 917.1732       33.03270 266.4236 4.918712 260.8411 4.703105 5.582581       6.805360 
1 1 1 -15 1  20 o 110.9025 4.515862 164.8235       13.42868 177.6268      20.15269 154.5984       18.00955 114.7462 6.522459 107.0589 6.247364 7.687286       9.031723 
1 1 1 -15 1  21 o 137.7895 4.042993 256.1325       14.98144 240.6193      21.13843 271.7889       21.23581 133.5895 5.876478 141.9896 5.554295 -8.400116      8.085986 
1 1 1 -15 1  22 o 177.7937 3.736281 425.9878       17.88518 417.3545      25.18762 434.7677       25.40065 175.9758 5.315580 179.6116 5.252028 -3.635788      7.472563 
1 1 1 -15 1  23 o 440.6479 5.020221 2618.827       59.56511 2609.165      84.35226 2628.436       84.12379 439.8348 7.122356 441.4610 7.076900 -1.626190      10.04044 
1 1 1 -15 1  24 o 323.0533 4.201254 1403.528       36.45182 1455.523      53.87468 1359.628       49.50359 328.5450 6.089848 317.5615 5.789292 10.98352       8.402509 
1 1 1 -15 1  25 o 165.7171 4.648314 372.5330       20.64428 339.7368      29.68529 403.2503       28.72903 158.5924 6.951452 172.8418 6.172894 -14.24944      9.296628 
1 1 1 -15 1  26 f 147.8052 5.193362 295.6698       20.64254 277.6836      29.12742 313.8187       29.25895 143.2671 7.550440 152.3434 7.132664 -9.076324      10.38672 
1 1 1 -15 1  27 o 122.8480 8.831447 211.2892       28.43512 179.2626      43.36527 235.4454       37.66185 114.2216 14.09972 131.4744 10.63841 -17.25282      17.66289 
1 1 1 -15 1  28 o 79.99092 15.54886 97.75090       34.02987 125.7126      54.78778 80.18782       43.42127 88.44719 22.84436 71.53465 21.09985 16.91254       31.09773 
1 1 1 -15 1  29 o 184.2588 10.74399 472.4268       52.89502 538.7370      74.86992 406.3467       74.73994 197.5961 14.07167 170.9216 16.23949 26.67447       21.48797 
1 1 1 -15 1  30 o 47.93401 14.80759 2.750144       36.46162 -10.23457     52.31096 15.01929       50.84914 45.44258 20.43356 50.42545 21.43662 -4.982872      29.61518 
1 1 1 -15 1  31 o 35.50166 12.07245 -56.28175      33.87872 -63.06900     48.54090 -49.83532      47.30643 34.92545 16.89404 36.07788 17.25014 -1.152435      24.14490 
1 1 1 -15 1  32 o 35.49188 11.97016 -43.69400      32.18086 -66.48345     45.74866 -21.37280      45.27623 32.39487 15.83348 38.58889 17.95662 -6.194019      23.94032 
1 1 1 -15 1  33 o 60.77719 13.71606 50.29950       34.71033 144.9968      49.89690 -38.49540      48.31688 86.33363 21.53557 35.22074 16.99235 51.11289       27.43211 
1 1 1 -15 3  1  o 562.0352 6.129163 4263.460       92.75467 4246.898      130.5915 4280.321       131.7662 560.9373 8.646038 563.1331 8.689797 -2.195801      12.25833 
1 1 1 -15 3  2  o 166.7516 3.278926 374.6029       14.71384 374.6927      21.17842 374.5190       20.45732 166.7690 4.716228 166.7341 4.556601 0.3494263E-01  6.557852 
1 1 1 -15 3  3  o 401.1519 4.535521 2168.414       48.99053 2178.339      69.52927 2158.629       69.03945 402.0630 6.422295 400.2408 6.406084 1.822205       9.071041 
1 1 1 -15 3  4  o 566.3659 6.132734 4324.022       93.52630 4331.960      132.4319 4316.124       132.1010 566.8842 8.675909 565.8476 8.670082 1.036621       12.26547 
1 1 1 -15 3  5  o 631.5367 6.773791 5370.460       115.0927 5241.754      158.8770 5512.586       166.9545 623.5928 9.461863 639.4806 9.695883 -15.88782      13.54758 
1 1 1 -15 3  6  o 577.8915 6.217398 4499.453       96.73128 4549.429      138.3187 4451.615       135.3277 581.0286 8.840972 574.7544 8.744219 6.274231       12.43480 
1 1 1 -15 3  7  o 836.2879 8.878107 9428.230       199.8455 9273.183      278.0317 9593.965       287.4521 829.1903 12.45251 843.3855 12.65773 -14.19519      17.75621 
1 1 1 -15 3  8  f 522.2996 5.647999 3664.203       79.25337 3517.591      107.7848 3836.768       116.9360 510.9677 7.833951 533.6315 8.138106 -22.66385      11.29600 
1 1 1 -15 3  9  o 442.4024 4.876049 2630.393       57.98915 2535.065      79.27961 2740.081       85.04128 433.8063 6.787069 450.9985 7.002794 -17.19217      9.752098 
1 1 1 -15 3  10 o 221.7641 3.249180 660.8191       19.37942 622.3916      26.71939 703.4713       28.14981 214.9768 4.615849 228.5515 4.574126 -13.57469      6.498360 
1 1 1 -15 3  11 o 33.26640 8.899144 10.34869       10.68981 9.019226      13.61478 12.48569       17.26138 31.02894 11.79464 35.50385 13.32913 -4.474907      17.79829 
1 1 1 -15 3  12 o 672.4559 7.206464 6101.442       130.4745 6171.231      186.1417 6034.036       182.9378 676.2307 10.22270 668.6813 10.16017 7.549377       14.41293 
1 1 1 -15 3  13 o 515.9526 5.645693 3588.959       78.37582 3540.439      108.4476 3642.010       113.3984 512.3196 7.861319 519.5857 8.105250 -7.266052      11.29139 
1 1 1 -15 3  14 o 639.3870 6.890329 5498.502       118.2656 5815.655      175.7979 5236.302       159.8437 656.1122 9.950665 622.6617 9.533667 33.45050       13.78066 
1 1 1 -15 3  15 o 526.0746 8.122265 3737.965       115.0556 3737.965      115.0556 0.000000       0.000000 526.0746 8.122265 ?        ?        ?              ?        
1 1 1 -15 3  16 o 304.9850 3.704636 1248.280       30.24298 1305.547      45.72148 1203.734       40.32507 311.1561 5.457058 298.8138 5.011769 12.34222       7.409272 
1 1 1 -15 3  17 o 214.8902 4.463753 622.5575       25.82856 0.000000      0.000000 622.5575       25.82856 ?        ?        214.8902 4.463753 ?              ?        
1 1 1 -15 3  18 o 378.7579 4.369491 1935.478       44.48592 1947.635      64.94410 1924.730       61.06053 379.8521 6.349533 377.6636 6.004434 2.188538       8.738981 
1 1 1 -15 3  19 o 62.57722 8.055717 56.53012       12.66998 44.75512      20.23211 64.12717       16.25111 56.27642 13.52036 68.87802 8.762319 -12.60160      16.11143 
1 1 1 -15 3  20 o 486.5999 5.383644 3192.532       70.49775 3093.020      97.67850 3300.726       101.8500 478.6999 7.577959 494.5000 7.649120 -15.80011      10.76729 
1 1 1 -15 3  21 o 394.2575 4.546474 2095.049       48.24993 2033.511      67.26602 2160.269       69.24856 388.2975 6.433508 400.2175 6.425860 -11.92007      9.092948 
1 1 1 -15 3  22 o 376.6687 4.460664 1909.622       45.11626 1954.141      66.65144 1871.973       61.29290 380.6974 6.501988 372.6400 6.108538 8.057434       8.921328 
1 1 1 -15 3  23 o 292.0461 3.969216 1141.470       30.98803 1214.550      47.27806 1086.429       41.03041 300.1691 5.849387 283.9232 5.366877 16.24588       7.938432 
1 1 1 -15 3  24 o 155.0486 4.367212 324.1167       18.22068 329.3056      26.33493 319.3519       25.23606 156.2341 6.259981 153.8632 6.091208 2.370880       8.734425 
1 1 1 -15 3  25 o 148.5160 5.421432 298.5998       20.99030 296.7848      34.21994 299.6947       26.57749 148.0732 8.582610 148.9588 6.626199 -0.8855591     10.84286 
1 1 1 -15 3  26 o 35.13089 11.10970 -14.07295      20.58078 -1.405625     34.80088 -20.88598      25.52217 40.83543 17.55562 29.42635 13.61992 11.40908       22.21941 
1 1 1 -15 3  27 o 217.1936 6.202676 641.5107       35.31405 634.8493      56.67971 645.7372       45.14793 216.0651 9.742257 218.3221 7.679922 -2.256958      12.40535 
1 1 1 -15 3  28 o 36.07082 12.20449 -69.22206      36.36324 -153.5781     57.36297 -12.55035      47.01720 30.44677 15.32904 41.69486 18.99524 -11.24809      24.40899 
1 1 1 -15 3  29 o 131.1878 12.08463 247.8280       41.89977 322.2966      66.49039 198.7782       53.96235 147.1926 16.77604 115.1831 17.39878 32.00951       24.16926 
1 1 1 -15 3  30 o 35.64175 12.00615 -45.86154      30.52152 -34.01923     49.18692 -53.27646      38.92108 39.77123 18.57659 31.51226 15.21515 8.258968       24.01229 
1 1 1 -15 3  31 o 101.5073 11.71407 150.2834       30.48655 209.5647      47.87957 109.8603       39.53728 119.3888 14.89372 83.62582 18.08466 35.76298       23.42814 
1 1 1 -15 3  32 o 47.47049 14.60959 13.34886       34.56205 -1.553049     45.01714 34.74395       53.94035 42.05693 18.92918 52.88405 22.25862 -10.82712      29.21917 
1 1 1 -15 3  33 o 61.80302 16.45752 81.29531       38.26301 49.66414      50.72684 123.0477       58.28019 51.55112 21.63557 72.05492 24.80528 -20.50380      32.91504 
1 1 1 -15 5  1  o 66.20662 6.163785 59.26195       10.97932 57.92805      15.73582 60.52736       15.32646 65.47454 8.925521 66.93869 8.503181 -1.464149      12.32757 
1 1 1 -15 5  2  o 212.1853 3.271059 606.5952       18.68425 588.4415      26.32493 625.0234       26.52323 208.9845 4.678103 215.3861 4.573255 -6.401611      6.542118 
1 1 1 -15 5  3  o 324.4019 3.886493 1417.359       33.92907 1396.088      47.04974 1440.406       48.97400 321.8712 5.428649 326.9326 5.563191 -5.061401      7.772987 
1 1 1 -15 5  4  o 434.2508 4.845428 2541.362       56.64370 2517.902      79.09941 2566.056       81.15261 432.1985 6.796834 436.3031 6.907658 -4.104584      9.690856 
1 1 1 -15 5  5  o 433.1678 4.804526 2527.963       56.02735 2499.746      78.28539 2557.590       80.21926 430.6931 6.750398 435.6424 6.838568 -4.949249      9.609053 
1 1 1 -15 5  6  f 345.7173 3.997149 1603.752       37.11053 1527.822      50.29510 1694.493       54.98196 336.7740 5.546304 354.6605 5.757370 -17.88641      7.994298 
1 1 1 -15 5  7  o 400.9870 4.477878 2166.296       48.34813 2159.107      68.48347 2173.438       68.26619 400.3229 6.353192 401.6511 6.312093 -1.328186      8.955756 
1 1 1 -15 5  8  o 811.1780 8.629965 8881.024       188.4887 8818.462      264.9016 8945.181       268.2567 808.2903 12.17121 814.0656 12.23792 -5.775269      17.25993 
1 1 1 -15 5  9  o 140.0370 3.361426 263.9699       12.67118 256.4426      17.67331 271.9323       18.17681 137.9838 4.756705 142.0901 4.750843 -4.106216      6.722853 
1 1 1 -15 5  10 o 555.5415 5.987702 4159.313       89.52625 4097.823      124.3438 4225.497       129.0032 551.2894 8.376471 559.7936 8.558332 -8.504150      11.97540 
1 1 1 -15 5  11 f 376.3776 5.933268 1909.046       60.13137 1909.046      60.13137 0.000000       0.000000 376.3776 5.933268 ?        ?        ?              ?        
1 1 1 -15 5  12 f 143.5449 3.327226 276.4400       12.65899 271.2029      16.43392 284.0819       19.85147 141.8881 4.301419 145.2017 5.077354 -3.313614      6.654452 
1 1 1 -15 5  13 o 553.4096 5.988889 4133.472       89.23593 4119.969      125.2988 4147.370       127.1182 552.5002 8.422308 554.3190 8.516566 -1.818848      11.97778 
1 1 1 -15 5  14 o 529.0870 5.777187 3780.634       82.30362 3809.090      116.7851 3752.556       116.0085 531.0656 8.166878 527.1085 8.173472 3.957031       11.55437 
1 1 1 -15 5  15 o 47.23674 8.153570 30.51891       10.63625 45.48290      15.81697 18.16637       14.37069 57.04301 10.69043 37.43047 12.31412 19.61254       16.30714 
1 1 1 -15 5  16 f 351.5050 5.935991 1667.241       56.18341 1667.241      56.18341 0.000000       0.000000 351.5050 5.935991 ?        ?        ?              ?        
1 1 1 -15 5  17 o 222.0776 3.389833 664.6187       20.01241 666.7514      30.88579 663.0753       26.27390 222.3603 5.158438 221.7949 4.399362 0.5653992      6.779665 
1 1 1 -15 5  18 o 93.29137 5.614422 119.1817       13.13602 113.3261      22.97807 122.0244       16.01018 91.49709 9.326588 95.08566 6.253134 -3.588562      11.22884 
1 1 1 -15 5  19 o 309.1454 4.060325 1293.721       33.47298 1251.485      50.53733 1326.732       44.67818 304.5943 6.161793 313.6964 5.289352 -9.102142      8.120649 
1 1 1 -15 5  20 o 80.45708 7.703879 87.40535       14.75902 87.98135      28.61006 87.19647       17.22840 80.54411 13.19172 80.37005 7.960997 0.1740646      15.40776 
1 1 1 -15 5  21 o 477.4969 5.372544 3077.567       69.05251 3037.313      98.57596 3116.351       96.75937 474.4131 7.716688 480.5806 7.477275 -6.167542      10.74509 
1 1 1 -15 5  22 o 201.8392 4.646585 555.3759       22.96088 534.5900      42.07944 564.1886       27.39931 199.0566 7.850728 204.6218 4.972837 -5.565186      9.293171 
1 1 1 -15 5  23 o 236.2579 4.500021 759.3782       26.98125 732.0705      46.31504 773.4068       33.19592 232.9536 7.383616 239.5621 5.146159 -6.608505      9.000041 
1 1 1 -15 5  24 o 255.4941 4.722451 862.7610       29.96780 929.1450      55.03341 834.7796       35.72971 262.2043 7.794770 248.7840 5.333640 13.42027       9.444901 
1 1 1 -15 5  25 o 145.8330 5.780402 289.9757       21.63920 280.7079      36.29943 295.0849       26.95173 143.8906 9.368800 147.7753 6.773314 -3.884735      11.56080 
1 1 1 -15 5  26 o 199.5067 5.268277 534.5602       27.41944 553.4071      45.06397 523.4811       34.55124 202.1728 8.277960 196.8406 6.518768 5.332245       10.53655 
1 1 1 -15 5  27 o 77.82048 14.34301 90.57873       30.55933 68.93181      48.41310 104.9164       39.40070 70.20456 22.56761 85.43639 17.70849 -15.23183      28.68602 
1 1 1 -15 5  28 f 118.6406 14.52316 187.2624       44.15640 381.9780      70.81938 63.41892       56.47916 167.0007 15.74891 70.28053 24.40617 96.72015       29.04633 
1 1 1 -15 5  29 o 42.37284 13.56778 -16.65288      32.85325 -18.88210     51.06298 -15.07832      42.91507 43.94958 19.93464 40.79611 18.41055 3.153469       27.13556 
1 1 1 -15 5  30 o 70.84531 14.64619 72.87721       30.54603 114.9241      48.09763 44.45464       39.54470 85.25106 21.07289 56.43955 20.34641 28.81151       29.29237 
1 1 1 -15 5  31 o 73.59996 14.36133 92.27095       31.10970 57.10071      47.13794 119.4110       41.40834 60.38579 22.14557 86.81413 18.29111 -26.42834      28.72266 
1 1 1 -15 5  32 o 58.96964 14.83606 58.10095       30.24222 83.29085      45.39613 38.00138       40.55077 67.25975 21.87473 50.67952 20.04823 16.58023       29.67212 
1 1 1 -15 5  33 f 53.05362 15.54766 58.58525       36.63326 49.44617      53.54743 66.62586       50.22641 50.76728 21.79963 55.33997 22.17419 -4.572689      31.09532 
1 1 1 -15 7  1  f 427.5137 4.865581 2466.301       56.00229 2439.547      78.39719 2494.178       80.02633 425.1517 6.848148 429.8757 6.913638 -4.723938      9.731162 
1 1 1 -15 7  2  o 253.5753 3.438737 863.9365       23.42534 828.2693      31.84263 906.0088       34.58374 247.8947 4.770440 259.2559 4.954044 -11.36122      6.877474 
1 1 1 -15 7  3  o 218.1291 3.246194 640.8376       19.04949 633.6674      26.32489 648.7195       27.60044 216.8524 4.508364 219.4057 4.671803 -2.553345      6.492387 
1 1 1 -15 7  4  o 271.9502 3.503520 996.5833       25.64695 997.6787      35.82619 995.4317       36.73127 272.1065 4.889657 271.7939 5.018951 0.3126221      7.007041 
1 1 1 -15 7  5  o 350.4843 4.072968 1654.351       38.41461 1623.591      53.22271 1687.803       55.50186 347.0899 5.694710 353.8787 5.824650 -6.788757      8.145936 
1 1 1 -15 7  6  o 432.2858 4.812371 2518.763       56.00676 2478.199      78.33284 2561.186       80.10803 428.7281 6.785449 435.8436 6.825932 -7.115570      9.624743 
1 1 1 -15 7  7  o 68.81089 6.102126 63.39931       10.98750 65.96159      17.93890 61.86096       13.89989 69.89762 9.531253 67.72416 7.622270 2.173462       12.20425 
1 1 1 -15 7  8  o 231.4548 4.599108 721.7202       28.66311 0.000000      0.000000 721.7202       28.66311 ?        ?        231.4548 4.599108 ?              ?        
1 1 1 -15 7  9  o 218.5093 3.178519 644.8174       18.65529 679.4078      25.98684 608.0369       26.79692 224.5765 4.297400 212.4422 4.684474 12.13437       6.357039 
1 1 1 -15 7  10 o 188.9832 4.089784 481.0919       20.81167 481.0919      20.81167 0.000000       0.000000 188.9832 4.089784 ?        ?        ?              ?        
1 1 1 -15 7  11 o 337.0191 3.884176 1530.475       35.24316 1551.204      50.36452 1510.586       49.33417 339.2534 5.513371 334.7849 5.472662 4.468475       7.768352 
1 1 1 -15 7  12 o 103.4589 3.631261 144.1055       10.10540 153.7506      14.54393 135.1030       14.05119 106.8037 5.057224 100.1141 5.212363 6.689651       7.262523 
1 1 1 -15 7  13 o 200.3012 3.081225 540.6221       16.61330 542.2129      23.80874 539.1125       23.19288 200.5861 4.408107 200.0162 4.306319 0.5699463      6.162450 
1 1 1 -15 7  14 o 226.3211 4.649014 690.4060       28.33148 0.000000      0.000000 690.4060       28.33148 ?        ?        226.3211 4.649014 ?              ?        
1 1 1 -15 7  15 o 68.08595 6.223333 62.13227       11.11980 65.38066      18.05546 60.14727       14.11414 69.47029 9.652193 66.70160 7.858414 2.768692       12.44667 
1 1 1 -15 7  16 o 279.0989 5.540224 1050.684       41.63598 1050.684      41.63598 0.000000       0.000000 279.0989 5.540224 ?        ?        ?              ?        
1 1 1 -15 7  17 o 197.5653 3.832265 531.6418       19.89590 501.6018      31.31139 551.9841       25.76633 192.7943 6.031492 202.3363 4.729283 -9.541946      7.664530 
1 1 1 -15 7  18 o 504.3143 5.655795 3436.482       76.77837 3369.160      109.2126 3502.269       107.9603 499.4037 8.121526 509.2249 7.873555 -9.821259      11.31159 
1 1 1 -15 7  19 o 211.2717 5.851199 587.6898       24.29281 624.8987      61.96065 580.9312       26.40706 214.9182 10.70679 207.6252 4.723422 7.293060       11.70240 
1 1 1 -15 7  20 o 149.5190 6.739941 223.4597       18.83047 427.0232      57.48892 198.9949       19.92992 177.5574 12.02436 121.4806 6.092774 56.07673       13.47988 
1 1 1 -15 7  21 o 735.0076 9.638844 7462.426       186.2926 6516.653      284.9066 8168.800       246.2218 692.9354 15.26956 777.0799 11.76732 -84.14453      19.27769 
1 1 1 -15 7  22 o 102.0973 8.842844 118.5231       19.98285 183.7852      47.07276 104.1771       22.07017 116.3667 15.02303 87.82790 9.332322 28.53883       17.68569 
1 1 1 -15 7  23 o 205.2199 5.415070 500.7397       24.10530 688.8821      57.25180 460.2002       26.57572 225.6914 9.420866 184.7485 5.342209 40.94290       10.83014 
1 1 1 -15 7  24 o 78.93011 10.89225 88.27061       19.53395 84.10064      39.55628 89.61549       22.46417 76.57611 19.21516 81.28410 10.26364 -4.707993      21.78451 
1 1 1 -15 7  25 o 343.2393 5.281999 1588.456       46.16737 1609.879      79.69444 1577.635       56.63937 344.7145 8.585886 341.7642 6.154724 2.950317       10.56400 
1 1 1 -15 7  26 o 65.57694 13.44939 63.79111       27.30706 22.22693      44.80371 88.35596       34.44383 52.68892 21.00036 78.46496 16.80862 -25.77604      26.89879 
1 1 1 -15 7  27 o 87.82896 13.85714 122.4579       33.08060 67.18750      51.56823 161.1069       43.12257 68.49651 23.33971 107.1614 14.94455 -38.66492      27.71429 
1 1 1 -15 7  28 o 172.4445 13.70614 406.1750       63.64260 0.000000      0.000000 406.1750       63.64260 ?        ?        172.4445 13.70614 ?              ?        
1 1 1 -15 7  29 o 117.6378 10.06094 204.0447       30.54537 160.5080      46.71050 236.5710       40.37427 105.1684 16.49475 130.1072 11.52444 -24.93880      20.12187 
1 1 1 -15 7  30 o 46.80221 13.50597 18.15456       27.38015 3.397449      41.41492 29.61260       36.49315 43.74308 18.97786 49.86134 19.22202 -6.118259      27.01194 
1 1 1 -15 7  31 o 56.52258 14.99741 47.64739       30.13970 58.75360      49.13397 40.94713       38.16321 60.24823 22.51379 52.79692 19.81964 7.451317       29.99481 
1 1 1 -15 7  32 o 57.39045 15.43019 61.10353       32.55067 62.47087      52.37328 60.24292       41.55030 57.54296 22.77750 57.23794 20.82184 0.3050156      30.86038 
1 1 1 -15 9  1  o 178.0191 3.249883 427.3466       15.57435 419.6844      22.13045 434.8652       21.92195 176.4345 4.658257 179.6037 4.532945 -3.169250      6.499766 
1 1 1 -15 9  2  o 255.6812 3.450257 881.1683       23.74939 898.5602      33.98573 864.5696       33.20142 258.1452 4.889327 253.2171 4.869452 4.928055       6.900514 
1 1 1 -15 9  3  o 303.2030 3.790943 1239.760       30.94530 1246.252      43.44280 1233.073       44.09093 304.0137 5.306905 302.3924 5.414958 1.621338       7.581887 
1 1 1 -15 9  4  o 347.7294 4.110777 1623.408       38.34922 1550.671      51.64861 1712.782       57.25104 339.1031 5.656443 356.3556 5.966455 -17.25244      8.221554 
1 1 1 -15 9  5  o 31.36771 8.364929 8.163825       10.21098 -1.326811     15.01317 16.33293       13.92875 26.77483 11.52115 35.96058 12.13059 -9.185747      16.72986 
1 1 1 -15 9  6  o 127.9991 4.755412 220.8240       16.38997 0.000000      0.000000 220.8240       16.38997 ?        ?        127.9991 4.755412 ?              ?        
1 1 1 -15 9  7  o 155.0268 3.092051 322.5590       12.66413 317.2723      16.33260 330.5297       20.05460 153.4533 3.952716 156.6003 4.755959 -3.146957      6.184102 
1 1 1 -15 9  8  o 146.6967 5.211398 290.1094       20.58533 0.000000      0.000000 290.1094       20.58533 ?        ?        146.6967 5.211398 ?              ?        
1 1 1 -15 9  9  o 296.3583 3.613822 1182.521       28.80916 1153.515      39.68815 1214.827       41.88519 292.5269 5.038621 300.1897 5.181807 -7.662842      7.227643 
1 1 1 -15 9  10 o 177.4330 2.888592 424.1326       13.78634 425.8359      19.97787 422.5840       19.04894 177.7699 4.173568 177.0962 3.994646 0.6737061      5.777185 
1 1 1 -15 9  11 o 115.2309 3.361992 179.5056       10.28813 175.6794      15.83383 182.3013       13.53448 114.1534 5.151260 116.3083 4.321628 -2.154877      6.723983 
1 1 1 -15 9  12 o 330.2805 3.887940 1470.574       34.54166 1482.906      50.08506 1459.389       47.70068 331.5892 5.609504 328.9719 5.384959 2.617310       7.775880 
1 1 1 -15 9  13 o 216.6125 3.335529 633.4783       19.27141 626.3676      29.25128 638.9319       25.61671 215.5147 5.040627 217.7104 4.369793 -2.195709      6.671058 
1 1 1 -15 9  14 o 176.7611 3.535244 424.7482       16.67913 386.7680      24.54649 457.3250       22.73342 169.3385 5.383319 184.1836 4.583850 -14.84506      7.070489 
1 1 1 -15 9  15 o 140.2285 3.796485 261.3988       14.02822 283.4559      22.64688 247.6665       17.86920 144.9357 5.802959 135.5213 4.896821 9.414429       7.592970 
1 1 1 -15 9  16 o 66.40406 11.30735 74.33440       16.03011 29.91794      43.45914 81.32909       17.24619 55.23036 21.05380 77.57776 8.256052 -22.34740      22.61471 
1 1 1 -15 9  17 f 105.2145 10.11183 180.0672       18.69074 117.3522      45.49984 192.7984       20.50027 90.88239 19.19474 119.5466 6.368527 -28.66418      20.22365 
1 1 1 -15 9  18 o 236.1954 6.564663 750.7072       41.07354 770.9472      64.51649 736.9129       53.26172 238.7894 10.03396 233.6014 8.467523 5.188019       13.12933 
1 1 1 -15 9  19 o 198.0715 6.758177 533.3973       33.95342 520.5993      58.51904 539.8922       41.68796 196.1405 11.08017 200.0025 7.740906 -3.862015      13.51635 
1 1 1 -15 9  20 o 406.3610 6.048944 2282.886       60.23279 2096.184      108.7933 2365.410       72.32968 393.8640 10.25823 418.8580 6.413076 -24.99396      12.09789 
1 1 1 -15 9  21 o 286.2974 5.498269 1111.158       35.68993 1096.151      74.08721 1115.693       40.72703 284.8663 9.658702 287.7285 5.256739 -2.862244      10.99654 
1 1 1 -15 9  22 o 63.48708 14.00792 40.51275       19.80577 82.23647      54.36290 34.12705       21.26745 77.18535 23.79545 49.78880 14.78730 27.39655       28.01585 
1 1 1 -15 9  23 f 37.99000 12.16716 -6.965221      21.04132 -44.45811     53.70855 -0.1673623     22.86942 42.38208 19.66623 33.59792 14.33171 8.784157       24.33431 
1 1 1 -15 9  24 o 88.30339 12.32624 103.0460       22.17570 120.5726      54.17405 99.51812       24.30531 91.02728 22.28219 85.57949 10.54746 5.447792       24.65248 
1 1 1 -15 9  25 o 121.5529 10.79915 242.7845       26.76317 142.4726      51.79588 279.3208       31.25941 99.48354 20.02876 143.6223 8.083053 -44.13879      21.59831 
1 1 1 -15 9  26 o 230.0020 6.838999 769.1299       38.89594 571.4794      64.43402 882.4460       48.78791 204.6306 11.69395 255.3734 7.095012 -50.74277      13.67800 
1 1 1 -15 9  27 o 466.1491 7.584177 2840.407       89.54229 3256.705      160.4524 2652.120       107.9083 489.5867 12.17119 442.7115 9.052129 46.87518       15.16835 
1 1 1 -15 9  28 f 58.73932 14.18465 27.97471       34.22781 -45.12836     49.35715 95.69921       47.50674 38.75872 18.26267 78.71992 21.70926 -39.96120      28.36930 
1 1 1 -15 9  29 o 56.58428 14.07997 44.55691       27.62220 25.28354      40.46313 61.37685       37.80009 49.85345 19.92853 63.31512 19.89563 -13.46167      28.15995 
1 1 1 -15 9  30 o 91.22112 12.23297 121.4708       28.88671 168.8876      47.17440 93.02576       36.53791 105.8438 16.55227 76.59846 18.01678 29.24531       24.46594 
1 1 1 -15 9  31 o 65.07446 15.49045 77.81310       32.09166 67.17252      55.21600 83.24097       39.43632 61.16447 23.62613 68.98444 20.04051 -7.819969      30.98090 
1 1 1 -15 9  32 o 88.12296 16.11160 153.5954       36.33071 196.1848      65.68199 134.8208       43.60934 91.83360 25.60151 84.41232 19.56777 7.421288       32.22321 
1 1 1 -15 11 1  o 243.6480 3.459560 800.1298       22.69253 822.7173      32.32756 778.1887       31.86167 247.0393 4.859858 240.2567 4.925038 6.782578       6.919119 
1 1 1 -15 11 2  o 203.9902 3.171013 559.8062       17.38021 543.8059      23.68211 578.4839       25.58693 200.8444 4.379023 207.1360 4.587533 -6.291595      6.342026 
1 1 1 -15 11 3  o 176.6976 3.190918 417.5016       15.10782 388.0670      20.18187 455.0211       22.78569 169.6749 4.417336 183.7204 4.605972 -14.04553      6.381836 
1 1 1 -15 11 4  o 267.5936 3.527287 963.8381       25.39049 926.8503      34.97245 1005.065       36.92194 262.1774 4.953902 273.0097 5.022536 -10.83231      7.054574 
1 1 1 -15 11 5  o 397.3158 4.540080 2129.375       48.53743 2083.153      67.14024 2179.979       70.24989 392.8158 6.347614 401.8158 6.492849 -8.999969      9.080159 
1 1 1 -15 11 6  o 296.0443 5.079160 1182.024       40.48853 1182.024      40.48853 0.000000       0.000000 296.0443 5.079160 ?        ?        ?              ?        
1 1 1 -15 11 7  o 179.2244 3.243155 434.1634       15.59343 476.6428      22.03719 391.5663       22.06773 188.0391 4.352359 170.4097 4.809280 17.62941       6.486309 
1 1 1 -15 11 8  o 409.2335 4.652848 2253.864       51.17099 2147.481      69.74834 2377.868       75.30397 398.8247 6.494840 419.6424 6.664310 -20.81766      9.305696 
1 1 1 -15 11 9  o 143.9652 3.172263 281.1478       12.16641 266.3159      18.32312 292.8432       16.27092 140.5320 4.842178 147.3983 4.099550 -6.866241      6.344525 
1 1 1 -15 11 10 o 255.6848 5.030377 881.6688       34.63290 881.6688      34.63290 0.000000       0.000000 255.6848 5.030377 ?        ?        ?              ?        
1 1 1 -15 11 11 o 157.3210 3.203232 335.6649       13.24682 324.0162      20.96822 343.4021       17.08901 155.0128 5.023549 159.6292 3.975769 -4.616379      6.406464 
1 1 1 -15 11 12 o 183.8641 5.034813 483.8628       19.89085 411.4735      42.71496 503.9063       22.47653 174.3763 9.097229 193.3519 4.317153 -18.97560      10.06963 
1 1 1 -15 11 13 o 53.07695 9.701718 49.49104       12.63738 -2.306852     35.88297 56.82538       13.50247 41.31860 17.79536 64.83529 7.734251 -23.51669      19.40344 
1 1 1 -15 11 14 o 262.9811 4.893196 943.1280       30.19243 913.8577      59.32088 953.3613       35.07544 260.0299 8.472293 265.9323 4.898337 -5.902435      9.786391 
1 1 1 -15 11 15 o 316.7106 5.755414 1358.581       48.84740 1314.346      72.02509 1396.255       66.47013 311.8657 8.576949 321.5556 7.676922 -9.689880      11.51083 
1 1 1 -15 11 16 o 273.8394 4.976986 1008.554       32.65076 1018.790      62.77093 1004.757       38.22959 274.6557 8.487633 273.0232 5.200161 1.632538       9.953973 
1 1 1 -15 11 17 o 300.4830 5.235721 1215.775       38.64789 1224.910      71.23454 1211.964       46.00791 301.1395 8.784955 299.8265 5.698743 1.312958       10.47144 
1 1 1 -15 11 18 o 299.2922 5.370243 1213.205       39.65410 1197.267      72.16996 1220.098       47.46017 297.7450 9.001783 300.8394 5.858834 -3.094421      10.74049 
1 1 1 -15 11 19 o 246.1145 6.773989 785.0519       43.55008 954.6852      73.18259 692.0421       54.18965 265.8146 10.22458 226.4143 8.888512 39.40024       13.54798 
1 1 1 -15 11 20 o 311.6016 5.679367 1296.979       40.59676 1335.749      83.75318 1285.072       46.41381 314.4274 9.892304 308.7757 5.582397 5.651733       11.35873 
1 1 1 -15 11 21 o 390.1956 6.083638 2047.961       54.96218 2074.910      111.3852 2039.287       63.19101 391.5373 10.56504 388.8540 6.035112 2.683289       12.16728 
1 1 1 -15 11 22 o 81.90834 12.96854 116.2303       22.19141 52.06412      56.34368 128.0116       24.14285 66.57890 24.24270 97.23778 9.220834 -30.65887      25.93708 
1 1 1 -15 11 23 o 172.1635 8.261233 460.8095       26.55625 326.1564      64.36744 488.4314       29.15307 154.1134 15.51109 190.2136 5.691926 -36.10019      16.52247 
1 1 1 -15 11 24 o 251.5288 6.092385 870.5981       34.30232 832.9290      71.86664 881.7119       39.03590 247.4999 10.78373 255.5577 5.672728 -8.057739      12.18477 
1 1 1 -15 11 25 o 92.82716 14.77407 134.9462       31.60742 97.56070      67.14563 145.5884       35.82480 82.54286 26.58201 103.1115 12.90308 -20.56859      29.54814 
1 1 1 -15 11 26 o 181.6334 14.73073 615.5610       48.69154 244.4774      93.95305 751.8291       56.93407 127.8640 28.05885 235.4027 8.982091 -107.5387      29.46145 
1 1 1 -15 11 27 o 39.36877 13.37546 -54.43980      40.74167 -85.83787     67.72647 -36.63409      51.00193 39.70596 19.37605 39.03157 18.44399 0.6743927      26.75093 
1 1 1 -15 11 28 o 112.0886 11.37630 188.9413       32.50605 153.0664      48.10229 219.0935       44.09913 100.0642 18.53529 124.1130 13.19561 -24.04884      22.75260 
1 1 1 -15 11 29 o 50.44147 14.19205 29.50355       29.34345 6.016967      50.30132 41.61895       36.12753 47.20560 20.68896 53.67733 19.43255 -6.471729      28.38409 
1 1 1 -15 11 30 o 39.95995 12.28618 -14.61791      29.91362 -113.3205     52.59595 32.57479       36.36850 30.96922 15.45923 48.95066 19.10009 -17.98144      24.57237 
1 1 1 -15 11 31 o 79.70248 15.78724 113.6867       32.61843 165.7048      61.48730 93.31463       38.47915 88.16420 24.83861 71.24076 19.49336 16.92344       31.57447 
1 1 1 -15 13 1  o 310.8970 5.248143 1297.387       39.08307 1289.176      45.72859 1319.642       75.28080 309.2450 5.491637 312.5490 8.945050 -3.303986      10.49629 
1 1 1 -15 13 2  o 437.7735 7.549781 2575.697       88.63052 2402.176      118.9356 2792.390       132.9104 421.3482 10.48304 454.1988 10.86750 -32.85059      15.09956 
1 1 1 -15 13 3  o 137.7480 2.977663 257.4987       10.61591 262.4428      13.35887 249.0258       17.48798 139.5729 3.554554 135.9232 4.778184 3.649750       5.955325 
1 1 1 -15 13 4  o 247.6382 4.800419 826.6088       32.00959 0.000000      0.000000 826.6088       32.00959 ?        ?        247.6382 4.800419 ?              ?        
1 1 1 -15 13 5  o 181.9609 3.121952 446.1249       15.27973 443.9498      21.09810 448.5242       22.15847 181.4987 4.317042 182.4230 4.511039 -0.9243011     6.243903 
1 1 1 -15 13 6  o 77.86824 5.168616 81.00143       10.63558 77.53859      13.65078 86.35046       16.96599 75.79263 6.688782 79.94385 7.881533 -4.151215      10.33723 
1 1 1 -15 13 7  o 258.5782 5.378418 899.4987       29.56466 909.6082      67.40701 897.0906       32.89777 259.1990 9.658025 257.9575 4.736254 1.241547       10.75684 
1 1 1 -15 13 8  o 323.0080 5.422127 1398.160       40.08305 1431.536      82.83573 1387.956       45.80235 325.2081 9.459604 320.8079 5.302239 4.400269       10.84425 
1 1 1 -15 13 9  o 38.96501 11.59463 7.019683       10.42501 14.40372      44.68366 6.594618       10.72087 50.79697 20.71141 27.13305 10.42971 23.66392       23.18925 
1 1 1 -15 13 10 o 218.0438 5.018460 619.7838       21.70404 674.8284      55.04215 609.6494       23.61767 223.3874 9.150680 212.7002 4.123689 10.68724       10.03692 
1 1 1 -15 13 11 o 132.3223 6.436218 231.3093       14.77939 243.9174      43.58964 229.6716       15.70996 134.1011 12.07167 130.5435 4.469267 3.557632       12.87244 
1 1 1 -15 13 12 o 417.6978 5.997382 2369.926       62.44925 2324.311      111.3754 2390.843       75.42064 414.4606 9.979818 420.9348 6.654140 -6.474213      11.99476 
1 1 1 -15 13 13 o 222.5471 5.405023 692.6053       31.06163 565.9885      48.68273 779.5427       40.33969 204.6769 8.833296 240.4172 6.231371 -35.74034      10.81005 
1 1 1 -15 13 14 f 289.9581 4.864765 1114.069       32.86637 1174.489      66.64304 1094.651       37.78035 294.9197 8.392040 284.9964 4.923152 9.923309       9.729530 
1 1 1 -15 13 15 o 69.16244 10.92312 82.46793       17.77143 30.99554      38.61248 96.30181       20.01764 53.88930 19.99349 84.43558 8.804483 -30.54628      21.84625 
1 1 1 -15 13 16 o 208.8247 5.885613 589.5117       32.97617 528.3621      46.34151 652.2372       46.93485 197.8131 8.700252 219.8362 7.928897 -22.02313      11.77123 
1 1 1 -15 13 17 o 180.7375 5.513573 448.6675       24.44504 421.1938      44.34509 460.6603       29.29855 176.6099 9.324961 184.8651 5.885833 -8.255127      11.02715 
1 1 1 -15 13 18 o 166.3840 6.235323 353.9984       24.92699 417.7408      49.38861 332.2112       28.87447 175.8129 10.43261 156.9552 6.832111 18.85764       12.47065 
1 1 1 -15 13 19 o 261.4974 5.924103 930.4843       39.86892 897.0872      66.45281 949.2661       49.83419 257.6989 9.576735 265.2960 6.976111 -7.597076      11.84821 
1 1 1 -15 13 20 o 85.10506 12.54092 126.2449       24.02169 54.66948      50.73232 146.9298       27.27275 66.05006 23.12018 104.1601 9.723985 -38.11002      25.08184 
1 1 1 -15 13 21 o 224.4452 6.661256 707.9720       31.24315 642.5292      70.77299 723.8129       34.81973 217.2906 12.09604 231.5998 5.583466 -14.30920      13.32251 
1 1 1 -15 13 22 o 473.6452 7.402445 3065.920       89.43376 2993.146      152.3127 3104.213       110.4854 468.6100 12.07094 478.6804 8.571877 -10.07034      14.80489 
1 1 1 -15 13 23 o 113.6102 13.69037 277.8658       32.07772 46.12994      67.10184 346.5110       36.52105 67.32111 26.03375 159.8992 8.482298 -92.57812      27.38075 
1 1 1 -15 13 24 o 83.16733 13.58842 120.7024       36.59807 -27.42850     68.20361 180.6029       43.37104 51.64472 23.26684 114.6899 14.04401 -63.04522      27.17683 
1 1 1 -15 13 25 o 80.34815 15.48697 78.33241       52.12218 -169.2369     94.23420 187.4574       62.56367 46.36666 22.67546 114.3296 21.09996 -67.96298      30.97394 
1 1 1 -15 13 26 f 38.67024 13.37274 -86.69443      46.22890 -113.3540     71.84822 -67.86026      60.38970 38.60707 19.06064 38.73342 18.76200 -0.1263504     26.74548 
1 1 1 -15 13 27 o 72.77518 15.93103 81.66642       39.62328 19.35292      58.12681 135.7557       54.15530 53.76988 22.89029 91.78049 22.16360 -38.01060      31.86206 
1 1 1 -15 13 28 o 84.59244 13.16831 125.1879       37.17733 -2.061518     58.33595 212.2164       48.24351 48.62828 21.74285 120.5566 14.86157 -71.92831      26.33662 
1 1 1 -15 13 29 o 64.05306 16.73704 65.55221       37.31113 96.28557      61.52192 47.67188       46.92592 71.89657 25.43536 56.20956 21.76137 15.68701       33.47409 
1 1 1 -15 13 30 o 55.26345 15.23449 51.63373       37.29142 -6.511472     61.51686 85.41427       46.88895 44.58658 20.80866 65.94033 22.25665 -21.35375      30.46898 
1 1 1 -15 13 31 o 38.71348 13.24968 -30.91523      40.35085 -0.9521173    65.15336 -49.55872      51.39334 43.29876 20.57324 34.12820 16.70202 9.170559       26.49935 
1 1 1 -15 15 1  o 412.5384 7.367188 2294.420       81.70025 2395.321      119.8386 2206.796       111.6760 420.9683 10.57216 404.1084 10.26310 16.85989       14.73438 
1 1 1 -15 15 2  o 196.3755 7.116589 518.1724       37.51498 562.6879      55.75777 481.3533       50.70924 204.0298 10.14912 188.7211 9.978913 15.30870       14.23318 
1 1 1 -15 15 3  o 294.5955 5.488911 1167.159       37.43181 1179.705      75.85102 1163.120       43.03740 295.4492 9.534443 293.7418 5.441227 1.707397       10.97782 
1 1 1 -15 15 4  o 128.4472 6.881444 246.2987       13.18653 196.1196      42.86112 251.5448       13.85872 120.2473 13.23747 136.6471 3.766511 -16.39980      13.76289 
1 1 1 -15 15 5  o 343.9598 5.260077 1630.206       40.49826 1535.918      84.58899 1658.245       46.12857 337.1436 9.317844 350.7759 4.883790 -13.63223      10.52015 
1 1 1 -15 15 6  o 127.5714 6.927822 217.8887       12.40682 222.4784      45.98291 217.5284       12.88468 128.0704 13.33412 127.0725 3.765637 0.9978180      13.85564 
1 1 1 -15 15 7  o 289.5883 5.053113 1145.079       30.90328 1109.579      70.33122 1153.573       34.40221 286.5785 9.114254 292.5981 4.366481 -6.019531      10.10623 
1 1 1 -15 15 8  o 59.80171 11.18180 40.42124       10.74053 58.07043      42.01171 39.18702       11.10973 65.71956 21.01191 53.88386 7.657047 11.83570       22.36361 
1 1 1 -15 15 9  o 353.7320 5.348786 1684.526       41.80644 1695.956      90.42444 1681.418       47.14808 354.2510 9.479630 353.2131 4.957284 1.037903       10.69757 
1 1 1 -15 15 10 o 224.3875 5.027107 646.7623       22.23770 728.0562      57.27958 632.3348       24.13044 232.1342 9.163836 216.6409 4.136581 15.49330       10.05421 
1 1 1 -15 15 11 o 108.7351 7.904634 160.5041       17.61691 159.2850      41.88393 160.7661       19.41813 108.2964 14.36316 109.1737 6.605505 -0.8772507     15.80927 
1 1 1 -15 15 12 o 497.8826 6.630031 3286.983       74.74680 3466.151      157.9726 3235.300       84.84556 505.9795 11.59486 489.7856 6.433387 16.19385       13.26006 
1 1 1 -15 15 13 o 364.2629 5.415842 1740.731       44.20860 1880.697      95.38992 1702.444       49.88995 373.1113 9.494689 355.4145 5.213083 17.69684       10.83168 
1 1 1 -15 15 14 o 163.3587 5.703485 355.6135       20.69723 368.0829      44.74457 352.2192       23.34487 165.0542 10.06770 161.6632 5.362866 3.391022       11.40697 
1 1 1 -15 15 15 o 68.67824 11.15266 84.21288       18.93953 17.55446      42.30107 100.9258       21.18118 50.89751 20.36540 86.45898 9.098223 -35.56147      22.30532 
1 1 1 -15 15 16 o 187.1017 6.378387 474.1898       31.64305 463.7869      48.95088 481.6571       41.47307 185.2837 9.811604 188.9197 8.152775 -3.636078      12.75677 
1 1 1 -15 15 17 o 216.0920 6.142232 628.9155       35.42891 641.7421      54.01521 619.2308       46.93550 217.9843 9.202535 214.1997 8.137653 3.784561       12.28446 
1 1 1 -15 15 18 o 133.4637 9.169747 237.5761       32.48941 302.2845      49.57465 188.8602       43.01446 149.1487 12.34403 117.7788 13.56326 31.36990       18.33949 
1 1 1 -15 15 19 o 241.4395 6.571076 800.5612       41.96262 718.3931      63.63756 863.7739       55.81677 230.1671 10.26802 252.7120 8.202675 -22.54486      13.14215 
1 1 1 -15 15 20 o 200.3286 7.568979 552.5457       39.38060 516.7364      63.67772 574.7238       50.11307 194.7355 12.14392 205.9216 9.037862 -11.18608      15.13796 
1 1 1 -15 15 21 o 73.55170 13.53630 84.90707       32.93742 -14.65715     60.26039 127.3250       39.33279 50.75491 22.42925 96.34850 15.16095 -45.59360      27.07260 
1 1 1 -15 15 22 f 136.5871 11.75694 267.3290       39.06400 236.5717      70.32541 281.0542       46.97828 129.8088 20.11985 143.3655 12.16940 -13.55670      23.51388 
1 1 1 -15 15 23 o 42.60558 14.46986 -58.59426      35.82459 -40.30382     80.03069 -63.17766      40.06257 53.67986 24.57988 31.53129 15.27536 22.14857       28.93971 
1 1 1 -15 15 24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 25 o 104.1395 15.27217 201.3745       44.22302 51.23323      74.46071 283.1941       54.96746 66.82514 26.92011 141.4538 14.43137 -74.62865      30.54434 
1 1 1 -15 15 26 o 39.90672 13.03797 -26.01671      32.88689 -43.64596     51.26712 -13.68981      42.86956 39.27913 18.53979 40.53431 18.33661 -1.255180      26.07595 
1 1 1 -15 15 27 o 157.0684 9.971698 373.4280       39.35526 305.6893      64.57581 413.4540       49.63896 142.8268 16.79100 171.3100 10.76110 -28.48317      19.94340 
1 1 1 -15 15 28 o 59.66197 17.19619 51.46428       38.12441 57.40471      84.90842 49.96423       42.66725 62.93157 27.23801 56.39237 20.99826 6.539204       34.39239 
1 1 1 -15 15 29 o 37.62241 13.05115 -48.75717      38.40547 -96.31571     83.43082 -35.96980      43.26161 41.04415 20.31446 34.20068 16.39062 6.843472       26.10229 
1 1 1 -15 15 30 o 53.88952 15.63409 62.98239       41.37739 -4.533692     75.63341 91.82076       49.43054 44.59206 21.44921 63.18699 22.75150 -18.59493      31.26818 
1 1 1 -15 17 1  o 454.8351 7.862090 2795.207       96.20864 2861.862      139.5059 2734.754       132.8566 459.9737 11.26358 449.6966 10.97186 10.27716       15.72418 
1 1 1 -15 17 2  o 493.1486 8.256985 3290.479       109.6408 3281.168      155.4562 3299.695       154.6580 492.4447 11.72377 493.8524 11.63032 -1.407684      16.51397 
1 1 1 -15 17 3  f 251.9889 6.525596 856.9128       44.15872 864.8986      65.01000 850.0719       60.17016 253.0522 9.540841 250.9255 8.905390 2.126694       13.05119 
1 1 1 -15 17 4  o 195.3082 5.530401 508.3088       21.27204 523.9993      53.71555 505.3904       23.16598 196.9345 10.12966 193.6819 4.441996 3.252518       11.06080 
1 1 1 -15 17 5  o 254.6565 5.080554 900.4998       24.86685 837.9965      63.04179 912.0166       27.06104 249.1090 9.398439 260.2040 3.862310 -11.09499      10.16111 
1 1 1 -15 17 6  o 403.9274 5.763219 2216.375       51.62730 2175.596      110.3990 2227.790       58.40738 401.2719 10.21746 406.5830 5.335009 -5.311066      11.52644 
1 1 1 -15 17 7  o 486.2513 6.574848 3178.020       71.37063 3219.064      152.4051 3166.491       80.77513 487.8532 11.60184 484.6494 6.189658 3.203857       13.14970 
1 1 1 -15 17 8  o 125.3513 7.127895 160.3905       13.86967 284.3167      52.00679 150.9016       14.39088 144.8795 13.33122 105.8231 5.050370 39.05636       14.25579 
1 1 1 -15 17 9  o 389.1417 5.654818 2054.927       48.84184 2022.528      104.3979 2064.006       55.26273 386.9249 10.02032 391.3585 5.244139 -4.433594      11.30964 
1 1 1 -15 17 10 o 579.9548 7.548165 4520.633       99.68654 4593.788      207.1048 4498.574       113.7277 582.3939 13.20657 577.5156 7.313394 4.878296       15.09633 
1 1 1 -15 17 11 o 171.7853 6.550080 413.7811       26.05176 368.2892      51.03210 429.8153       30.29699 165.0178 11.48496 178.5528 6.301581 -13.53500      13.10016 
1 1 1 -15 17 12 o 266.2376 5.404498 948.7736       35.68486 975.5678      65.01259 937.2201       42.69067 268.8019 8.982179 263.6733 6.012892 5.128601       10.80900 
1 1 1 -15 17 13 o 481.6359 6.923656 3155.112       85.71654 3062.036      143.4976 3206.747       106.8798 475.8183 11.20005 487.4535 8.142901 -11.63525      13.84731 
1 1 1 -15 17 14 o 750.6201 10.08153 7655.432       193.1052 7606.424      330.1743 7680.911       238.0678 747.8726 16.39578 753.3677 11.73574 -5.495056      20.16307 
1 1 1 -15 17 15 o 702.7363 9.529902 6722.921       171.0054 6693.447      292.0719 6738.295       210.9409 700.4366 15.48594 705.0359 11.11134 -4.599243      19.05980 
1 1 1 -15 17 16 o 263.6513 5.908967 951.5310       40.60553 891.5264      65.15797 989.6309       51.92033 256.6146 9.429809 270.6881 7.123361 -14.07352      11.81793 
1 1 1 -15 17 17 o 176.1472 7.280054 419.5901       33.94100 428.9086      53.39222 413.2708       43.96827 177.6615 11.16096 174.6330 9.350392 3.028503       14.56011 
1 1 1 -15 17 18 o 100.5432 12.82318 144.2518       32.65023 134.1402      52.97814 150.4445       41.45984 96.31663 21.01795 104.7697 14.69632 -8.453064      25.64636 
1 1 1 -15 17 19 o 280.0514 10.92345 1066.197       82.37228 1066.197      82.37228 0.000000       0.000000 280.0514 10.92345 ?        ?        ?              ?        
1 1 1 -15 17 20 o 281.1058 13.10761 1082.862       99.21487 1082.862      99.21487 0.000000       0.000000 281.1058 13.10761 ?        ?        ?              ?        
1 1 1 -15 17 21 o 98.94206 17.20331 105.7033       44.24300 260.6083      87.72083 52.85485       51.23727 132.9948 25.42211 64.88935 23.18473 68.10542       34.40662 
1 1 1 -15 17 22 o 45.91243 14.96694 -86.05482      50.23128 -279.7516     88.59913 5.697884       60.97864 36.96482 18.66517 54.86003 23.40190 -17.89521      29.93388 
1 1 1 -15 17 23 o 41.67483 14.16778 -101.1163      49.52337 -278.3489     93.49128 -31.98933      58.38794 38.01643 19.19348 45.33323 20.84499 -7.316803      28.33555 
1 1 1 -15 17 24 o 39.75244 13.29111 -38.42437      34.32645 -72.36039     66.20560 -25.94745      40.14376 42.48632 20.33901 37.01855 17.11546 5.467766       26.58222 
1 1 1 -15 17 25 o 58.11872 15.44400 38.77579       30.71447 67.82829      55.99781 26.27451       36.73301 67.22209 24.21455 49.01535 19.17615 18.20674       30.88801 
1 1 1 -15 17 26 o 51.15600 15.20547 22.99862       33.19790 33.83682      59.92329 18.19901       39.87677 56.00765 23.51100 46.30434 19.28879 9.703308       30.41093 
1 1 1 -15 17 27 o 46.51574 15.33486 -3.107587      38.20679 -34.46861     93.68163 3.149447       41.84501 51.07076 24.37876 41.96072 18.60933 9.110043       30.66971 
1 1 1 -15 17 28 o 48.32363 15.61703 17.16386       37.41314 50.64368      82.63109 8.530518       41.96058 55.30966 25.19166 41.33760 18.46474 13.97206       31.23406 
1 1 1 -15 19 1  o 229.8883 7.408891 712.1873       45.61853 769.2683      68.97007 667.7940       60.82381 237.9609 10.76395 221.8158 10.18352 16.14511       14.81778 
1 1 1 -15 19 2  o 63.92109 15.51725 51.83816       33.40016 26.80419      51.02639 70.60488       44.17984 56.95696 22.50261 70.88522 21.37225 -13.92825      31.03450 
1 1 1 -15 19 3  o 187.3549 7.543532 465.8591       37.56921 541.0145      59.19924 415.1796       48.61303 199.6932 11.00955 175.0166 10.31549 24.67654       15.08706 
1 1 1 -15 19 4  o 93.23263 8.934954 83.52298       12.48807 167.2627      49.74756 77.89119       12.90117 110.4979 16.71993 75.96739 6.306938 34.53047       17.86991 
1 1 1 -15 19 5  o 182.7852 5.874142 445.0779       15.98515 459.7816      55.72000 443.7592       16.68657 184.0851 11.24111 181.4853 3.414619 2.599792       11.74828 
1 1 1 -15 19 6  o 114.3347 7.493393 150.7266       11.94788 210.5216      47.96629 146.7712       12.33672 124.3167 14.32925 104.3527 4.390485 19.96393       14.98679 
1 1 1 -15 19 7  o 189.3753 5.387993 474.4805       18.54851 497.9169      51.78287 471.0309       19.86675 191.7843 10.02743 186.9664 3.946208 4.817978       10.77599 
1 1 1 -15 19 8  o 145.5534 4.407923 285.5356       17.27586 0.000000      0.000000 285.5356       17.27586 ?        ?        145.5534 4.407923 ?              ?        
1 1 1 -15 19 9  o 72.54381 12.78023 69.89987       20.74554 81.12220      47.95608 67.31625       23.00999 75.77740 22.12413 69.31022 12.80078 6.467178       25.56046 
1 1 1 -15 19 10 o 45.83353 13.30439 -5.773543      21.91137 43.53684      50.58003 -17.16511      24.31093 62.18373 22.91945 29.48334 13.51759 32.70039       26.60877 
1 1 1 -15 19 11 o 396.8445 5.679525 2125.201       58.09979 2141.447      97.59368 2116.282       72.30962 397.7886 9.111419 395.9005 6.783074 1.888031       11.35905 
1 1 1 -15 19 12 o 391.7497 5.594812 2057.065       56.72462 2136.958      95.11134 2012.959       70.66853 397.3991 8.888368 386.1002 6.797398 11.29895       11.18962 
1 1 1 -15 19 13 o 146.3190 7.483855 289.7899       26.71408 292.3479      49.79702 288.7562       31.65453 146.5259 12.62135 146.1121 8.045742 0.4137268      14.96771 
1 1 1 -15 19 14 o 79.14182 12.89767 80.05985       25.41544 121.7283      46.76832 62.59733       30.27621 92.08846 19.46971 66.19518 16.92128 25.89329       25.79534 
1 1 1 -15 19 15 o 344.5371 5.491811 1597.417       49.46659 1643.035      80.73362 1569.997       62.59177 348.2545 8.609426 340.8196 6.820391 7.434906       10.98362 
1 1 1 -15 19 16 o 209.2971 6.346972 569.3513       34.53467 686.9556      58.77124 507.3282       42.68055 225.0113 9.700120 193.5829 8.188031 31.42839       12.69394 
1 1 1 -15 19 17 o 47.87677 19.84619 10.06816       41.91969 0.000000      0.000000 10.06816       41.91969 ?        ?        47.87677 19.84619 ?              ?        
1 1 1 -15 19 18 o 142.0225 14.04514 322.2971       44.06716 209.1123      78.80466 373.7924       53.15469 118.6644 25.42805 165.3806 11.93641 -46.71619      28.09028 
1 1 1 -15 19 19 o 69.43178 16.69793 64.27860       42.81052 -31.05323     79.27490 103.5256       50.86509 55.16054 24.94577 83.70302 22.20343 -28.54248      33.39587 
1 1 1 -15 19 20 o 95.39967 32.63898 127.5741       100.8513 127.5741      100.8513 0.000000       0.000000 95.39967 32.63898 ?        ?        ?              ?        
1 1 1 -15 19 21 o 41.72834 21.17920 -420.7398      123.7351 -420.7398     123.7351 0.000000       0.000000 41.72834 21.17920 ?        ?        ?              ?        
1 1 1 -15 19 22 o 58.57726 15.81847 32.52266       41.81575 -176.4184     101.1179 75.62482       45.92673 46.39668 22.85004 70.75783 21.88085 -24.36115      31.63694 
1 1 1 -15 19 23 o 56.59597 16.45116 33.76902       36.36349 11.60272      78.55930 39.81336       41.02280 58.26391 25.68539 54.92804 20.56266 3.335869       32.90231 
1 1 1 -15 19 24 o 51.70328 15.24887 24.81950       35.15104 -11.51470     65.90216 39.26660       41.55586 49.40654 22.50088 54.00001 20.58694 -4.593472      30.49773 
1 1 1 -15 19 25 o 95.09108 17.12570 151.6350       37.36949 177.3803      88.13490 145.9921       41.26213 91.72337 30.51113 98.45879 15.56373 -6.735428      34.25141 
1 1 1 -15 19 26 o 60.79926 17.07089 66.32420       38.20786 66.31036      83.64415 66.32784       42.95072 60.99401 26.70677 60.60450 21.26994 0.3895149      34.14179 
1 1 1 -15 19 27 o 77.85019 15.98570 123.0396       35.19732 169.8429      57.02293 94.23234       44.73658 88.97653 23.46459 66.72385 21.71596 22.25268       31.97139 
1 1 1 -15 21 1  f 152.1679 12.39296 321.8769       50.75540 319.6888      72.72913 323.9543       70.86510 151.5836 17.81857 152.7522 17.22906 -1.168655      24.78592 
1 1 1 -15 21 2  o 49.42854 15.21325 -25.64844      40.76513 -75.73637     56.81067 27.51515       58.52892 39.27090 18.81053 59.58618 23.91519 -20.31527      30.42651 
1 1 1 -15 21 3  o 203.6989 6.923373 588.1620       26.75869 527.8579      68.11307 599.1677       29.09819 196.6679 12.86215 210.7299 5.128100 -14.06203      13.84675 
1 1 1 -15 21 4  o 448.7189 6.890246 2746.643       76.42291 2694.596      138.3096 2769.518       91.69136 444.9406 11.54428 452.4972 7.525392 -7.556641      13.78049 
1 1 1 -15 21 5  o 202.2223 6.102017 533.8221       19.55280 579.6036      64.34204 529.1642       20.52341 206.3163 11.58185 198.1282 3.846978 8.188110       12.20403 
1 1 1 -15 21 6  o 191.0068 6.897830 530.6873       26.99374 440.7430      61.17670 552.4326       30.08035 179.7121 12.64228 202.3016 5.522048 -22.58946      13.79566 
1 1 1 -15 21 7  o 395.5588 5.497771 2114.502       56.84877 2129.575      92.33665 2105.301       72.14264 396.4517 8.649689 394.6660 6.788580 1.785706       10.99554 
1 1 1 -15 21 8  o 78.52161 12.16427 92.97869       21.01258 73.62226      46.78138 97.87082       23.51851 72.16431 22.04515 84.87891 10.29027 -12.71461      24.32855 
1 1 1 -15 21 9  o 336.2799 6.125348 1543.050       49.30183 1508.378      94.06832 1556.181       57.88960 333.1598 10.48594 339.4000 6.334397 -6.240265      12.25070 
1 1 1 -15 21 10 o 276.8445 6.223857 1039.948       40.05118 1035.975      80.31025 1041.263       46.20732 276.0355 10.80495 277.6535 6.180508 -1.618073      12.44771 
1 1 1 -15 21 11 o 67.10416 15.68883 49.02738       27.42564 88.38004      62.95530 39.80973       30.46879 79.56239 25.75146 54.64594 17.92820 24.91645       31.37767 
1 1 1 -15 21 12 o 219.8688 6.823398 602.3297       33.86587 757.1412      74.68140 562.2538       37.99728 235.7873 11.76274 203.9502 6.919024 31.83704       13.64680 
1 1 1 -15 21 13 o 173.7884 8.576864 412.1329       35.41046 412.6129      68.69119 411.9591       41.32447 173.2919 14.72107 174.2849 8.805705 -0.9930115     17.15373 
1 1 1 -15 21 14 o 52.85038 15.57259 14.73622       34.74943 -2.698179     64.52944 21.85689       41.23964 54.62906 23.69488 51.07170 20.21322 3.557358       31.14517 
1 1 1 -15 21 15 o 97.78719 15.37651 153.1379       37.90948 94.19299      68.84399 178.7897       45.41520 81.61642 26.95731 113.9579 14.80039 -32.34153      30.75302 
1 1 1 -15 21 16 f 119.5009 14.38035 212.3550       40.97208 192.0905      73.25923 221.5785       49.42456 112.6416 24.82277 126.3602 14.52611 -13.71852      28.76069 
1 1 1 -15 21 17 o 61.23447 27.37838 -17.09846      92.48604 -17.09846     92.48604 0.000000       0.000000 61.23447 27.37838 ?        ?        ?              ?        
1 1 1 -15 21 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 21 19 f 108.0236 30.82034 230.6182       94.05240 230.6182      94.05240 0.000000       0.000000 108.0236 30.82034 ?        ?        ?              ?        
1 1 1 -15 21 20 o 47.15862 15.81476 -42.31387      38.51075 -1.752421     92.09859 -50.90870      42.39502 60.35298 27.12784 33.96426 16.26365 26.38872       31.62951 
1 1 1 -15 21 21 o 74.28053 29.71318 81.08385       90.01809 81.08385      90.01809 0.000000       0.000000 74.28053 29.71318 ?        ?        ?              ?        
1 1 1 -15 21 22 o 39.48508 13.51545 -50.06166      37.41602 -115.5518     82.88171 -33.29874      41.93200 43.05352 21.09970 35.91663 16.89593 7.136890       27.03091 
1 1 1 -15 21 23 o 88.59084 16.48774 156.2908       43.04104 76.37611      86.33795 182.7193       49.65056 67.86211 28.33514 109.3196 16.86719 -41.45746      32.97548 
1 1 1 -15 21 24 o 52.87231 16.53780 27.95862       40.08896 37.67646      87.03553 25.34172       45.16529 57.69285 26.11034 48.05178 20.30383 9.641071       33.07560 
1 1 1 -15 21 25 o 54.62526 17.01999 47.39763       40.72094 94.68015      91.98112 35.87163       45.41378 60.86423 27.25167 48.38630 20.39771 12.47793       34.03998 
1 1 1 -15 23 1  o 115.6454 22.00265 180.6243       71.19460 112.9428      90.69635 289.2838       114.9181 91.32186 30.95355 139.9690 31.27850 -48.64710      44.00531 
1 1 1 -15 23 2  o 118.0206 22.28278 208.8458       73.14702 246.8200      99.97078 165.0916       107.3097 129.4078 29.36328 106.6333 33.52442 22.77457       44.56555 
1 1 1 -15 23 3  o 296.7960 7.345154 1234.019       48.61479 1197.072      102.2175 1244.819       55.26538 291.4379 13.02554 302.1542 6.792679 -10.71631      14.69031 
1 1 1 -15 23 4  o 52.84551 16.23489 42.43034       25.33060 0.000000      0.000000 42.43034       25.33060 ?        ?        52.84551 16.23489 ?              ?        
1 1 1 -15 23 5  o 428.3187 7.195340 2505.348       75.04935 2525.265      140.1076 2497.334       88.87504 428.0017 12.15718 428.6358 7.700306 -0.6340942     14.39068 
1 1 1 -15 23 6  o 96.52478 12.85090 146.5080       24.18724 111.6411      57.79350 153.9118       26.63172 86.68131 23.96088 106.3683 9.298306 -19.68694      25.70180 
1 1 1 -15 23 7  o 317.4823 5.457175 1363.622       44.79943 1374.791      74.72237 1357.355       55.97544 318.2053 8.720871 316.7593 6.562733 1.445953       10.91435 
1 1 1 -15 23 8  o 104.8279 11.52183 150.3951       27.38323 163.1681      55.29258 146.2443       31.52009 106.1724 20.07618 103.4835 11.31184 2.688896       23.04367 
1 1 1 -15 23 9  o 245.5530 5.775342 792.1361       35.24799 886.9446      65.15726 752.9119       41.90984 255.2578 9.479827 235.8483 6.599332 19.40956       11.55068 
1 1 1 -15 23 10 f 58.83216 15.45571 42.56943       30.75381 34.07937      58.44066 45.82102       36.16664 59.89057 23.94666 57.77375 19.54671 2.116821       30.91142 
1 1 1 -15 23 11 o 105.7151 13.15160 170.4532       32.80870 189.3283      62.18778 163.1734       38.62081 105.7278 22.53301 105.7025 13.56916 0.2536011E-01  26.30320 
1 1 1 -15 23 12 o 61.43369 15.83601 49.93841       36.51871 -24.21172     73.62438 74.13451       42.05700 52.64655 23.90147 70.22083 20.78066 -17.57428      31.67201 
1 1 1 -15 23 13 o 46.31170 22.23276 -111.0705      80.35550 -111.0705     80.35550 0.000000       0.000000 46.31170 22.23276 ?        ?        ?              ?        
1 1 1 -15 23 14 o 208.9932 15.91779 597.5422       89.57737 597.5422      89.57737 0.000000       0.000000 208.9932 15.91779 ?        ?        ?              ?        
1 1 1 -15 23 15 o 41.23110 20.13688 -105.8984      73.57604 -105.8984     73.57604 0.000000       0.000000 41.23110 20.13688 ?        ?        ?              ?        
1 1 1 -15 23 16 o 57.82522 16.86511 28.12612       39.83732 24.18744      73.52189 29.76311       47.39832 61.14389 25.87417 54.50655 21.63919 6.637341       33.73021 
1 1 1 -15 23 17 o 71.29232 17.38219 75.90646       37.91897 93.36871      69.71059 68.56861       45.18905 75.96494 27.05372 66.61971 21.83250 9.345230       34.76438 
1 1 1 -15 23 18 o 103.6276 15.11479 156.8242       38.21144 207.5735      70.23016 135.4831       45.54254 113.1531 23.80433 94.10204 18.63282 19.05106       30.22959 
1 1 1 -15 23 19 o 51.08906 15.63791 11.69144       36.16407 18.75342      68.13573 8.921743       42.67052 56.48473 24.42382 45.69339 19.53597 10.79134       31.27582 
1 1 1 -15 23 20 o 53.86500 15.61766 33.15500       36.61423 10.18890      60.54979 46.39347       45.97143 51.03072 22.52052 56.69928 21.64421 -5.668568      31.23533 
1 1 1 -15 23 21 o 79.94398 16.54695 104.6657       39.35238 178.1592      63.93245 59.83549       49.93241 99.52348 24.11094 60.36449 22.66868 39.15899       33.09391 
1 1 1 -15 23 22 o 38.84211 13.16513 -38.24587      38.23673 -65.63461     66.64772 -24.80783      46.68391 39.83763 19.39197 37.84660 17.81106 1.991028       26.33025 
1 1 1 -15 23 23 o 58.13471 16.13966 70.18369       36.71389 84.49118      55.48064 59.03741       48.96938 61.55003 23.70848 54.71939 21.90577 6.830647       32.27933 
1 1 1 -15 23 24 o 47.98043 14.43816 39.85350       33.01102 51.50906      46.24511 27.74407       47.13694 50.94543 20.95496 45.01544 19.86784 5.929989       28.87631 
1 1 1 -15 25 1  o 150.0870 14.24354 341.4476       56.90733 286.1657      79.93941 398.2480       81.02990 136.3421 21.77447 163.8320 18.36806 -27.48988      28.48707 
1 1 1 -15 25 2  o 45.19564 12.98920 18.85497       22.36895 11.06714      45.93067 21.27646       25.61155 47.61736 20.31121 42.77391 16.19668 4.843445       25.97841 
1 1 1 -15 25 3  o 91.52404 12.50328 118.3801       30.81360 0.000000      0.000000 118.3801       30.81360 ?        ?        91.52404 12.50328 ?              ?        
1 1 1 -15 25 4  o 211.9851 6.105034 603.9464       33.10857 659.1085      57.49813 576.5837       40.49598 218.4901 9.773242 205.4801 7.319119 13.01001       12.21007 
1 1 1 -15 25 5  o 194.1656 6.624883 523.5778       32.14922 500.2518      56.54723 534.7188       39.07972 190.2133 11.04045 198.1180 7.325616 -7.904602      13.24977 
1 1 1 -15 25 6  o 49.01203 13.98752 16.83628       25.68245 34.87021      49.75178 10.28492       29.98671 56.94262 22.30616 41.08144 16.88308 15.86118       27.97505 
1 1 1 -15 25 7  o 41.27098 12.72789 -0.2182351     25.63923 -38.28567     51.02121 12.64253       29.65565 40.80350 19.01206 41.73847 16.92745 -0.9349670     25.45579 
1 1 1 -15 25 8  o 132.8436 8.553996 230.0876       27.24380 278.8696      54.29226 213.6703       31.49630 140.8737 14.31280 124.8136 9.371611 16.06006       17.10799 
1 1 1 -15 25 9  o 72.05713 14.77091 76.53477       28.10563 79.58254      54.41745 75.42601       32.82225 72.81281 23.96297 71.30146 17.27702 1.511345       29.54182 
1 1 1 -15 25 10 o 85.27673 14.43335 109.2736       31.07307 114.2226      55.17877 106.9754       37.60210 85.43920 23.32858 85.11427 17.00186 0.3249359      28.86669 
1 1 1 -15 25 11 o 97.95891 13.72375 155.9158       32.17628 116.7366      58.06487 173.2783       38.65386 84.98871 24.20534 110.9291 12.94089 -25.94040      27.44749 
1 1 1 -15 25 12 f 192.8648 7.735686 504.0363       37.01966 562.3691      68.38486 479.8555       44.02900 199.2334 12.74719 186.4962 8.767693 12.73711       15.47137 
1 1 1 -15 25 13 o 48.87223 15.02421 7.607691       35.21502 6.843317      60.77924 7.993954       43.20602 51.99363 22.76579 45.75084 19.61188 6.242790       30.04841 
1 1 1 -15 25 14 o 173.8731 8.555799 414.4274       38.38511 461.8678      65.61262 389.7419       47.32975 180.3482 13.51115 167.3980 10.50027 12.95020       17.11160 
1 1 1 -15 25 15 f 60.16036 16.30667 43.56826       35.40940 71.16335      61.23106 29.70307       43.40290 68.27421 25.20771 52.04651 20.69301 16.22770       32.61333 
1 1 1 -15 25 16 o 70.51480 16.27023 82.66203       34.78275 87.83823      56.92852 79.57865       43.93767 71.59624 24.52214 69.43337 21.39031 2.162865       32.54045 
1 1 1 -15 25 17 o 51.26562 15.12237 17.72886       35.43344 56.15350      54.98225 -9.565461      46.33975 60.63315 23.53272 41.89809 18.99882 18.73506       30.24474 
1 1 1 -15 25 18 o 51.01966 15.29959 26.60062       36.71087 13.04579      56.67498 36.39895       48.18596 49.25574 21.76002 52.78358 21.51305 -3.527843      30.59917 
1 1 1 -15 25 19 o 47.81478 14.48553 12.91584       36.76427 -40.88903     56.24084 53.06295       48.58119 39.28725 18.79133 56.34232 22.05013 -17.05507      28.97106 
1 1 1 -15 25 20 o 49.78793 14.91381 36.73386       34.42865 39.29144      51.80677 34.71093       46.07468 50.74336 21.60618 48.83249 20.56355 1.910873       29.82761 
1 1 1 -15 25 21 f 50.68021 14.29476 44.17056       31.03942 14.19017      42.50145 78.43742       45.43832 41.33997 18.51608 60.02044 21.78337 -18.68047      28.58952 
1 1 1 -15 27 1  o 104.7528 6.122272 154.3997       17.24215 158.3145      23.94480 150.1838       24.84846 106.2792 8.367188 103.2265 8.939746 3.052757       12.24454 
1 1 1 -15 27 2  o 26.93404 8.969082 -26.72351      17.25078 -7.065546     24.74319 -45.31641      24.06357 31.10878 14.01461 22.75930 11.19680 8.349478       17.93816 
1 1 1 -15 27 3  o 126.3862 6.353974 222.8328       21.58873 211.6182      29.52793 235.7123       31.64395 123.0180 8.914175 129.7545 9.057011 -6.736519      12.70795 
1 1 1 -15 27 4  o 213.0378 4.922109 623.5762       28.16564 640.4912      41.52748 609.1665       38.32898 215.5771 7.154010 210.4986 6.762303 5.078506       9.844217 
1 1 1 -15 27 5  o 68.37643 12.01986 71.22710       22.14791 95.11852      34.12451 53.83795       29.11283 78.19112 16.71447 58.56174 17.27814 19.62938       24.03971 
1 1 1 -15 27 6  o 70.28242 12.16395 74.81120       22.62177 96.61108      35.93399 60.49961       29.11535 78.44189 17.46184 62.12294 16.93905 16.31895       24.32791 
1 1 1 -15 27 7  o 85.57397 11.42694 120.5307       24.33498 77.47108      38.79884 148.4552       31.24472 68.95090 19.83387 102.1970 11.35416 -33.24612      22.85387 
1 1 1 -15 27 8  o 45.20110 12.98857 19.88981       25.07540 2.892170      41.23640 29.86279       31.58632 42.71515 18.72628 47.68704 18.00385 -4.971889      25.97715 
1 1 1 -15 27 9  o 94.94257 11.48341 132.3451       28.31719 167.0794      44.91275 109.4270       36.48207 105.7865 15.76725 84.09864 16.69937 21.68787       22.96683 
1 1 1 -15 27 10 o 62.52745 14.48509 62.68604       27.70803 68.23725      43.94098 59.02172       35.70028 64.35452 21.54650 60.70039 19.36542 3.654121       28.97018 
1 1 1 -15 27 11 o 58.13190 13.29473 54.40523       27.52108 3.977034      46.49472 81.60273       34.14534 44.77324 19.74796 71.49058 17.80497 -26.71734      26.58945 
1 1 1 -15 27 12 o 57.90159 14.32509 35.67625       29.40520 101.6935      50.05070 0.8782815      36.33779 76.13893 22.70119 39.66425 17.47825 36.47469       28.65019 
1 1 1 -15 27 13 o 57.19795 14.75740 45.22940       30.24642 84.09855      48.29311 20.14133       38.79862 68.77399 22.57142 45.62191 19.01721 23.15207       29.51480 
1 1 1 -15 27 14 o 77.09476 14.85575 100.8627       31.74740 136.2137      49.82079 76.69375       41.19443 88.12218 21.24452 66.06734 20.77121 22.05484       29.71150 
1 1 1 -15 27 15 o 54.88821 14.74116 45.41231       30.76570 77.74921      47.44199 21.94394       40.41617 64.31474 22.36657 45.46169 19.20791 18.85305       29.48232 
1 1 1 -15 27 16 o 36.74395 12.18140 -18.43741      30.38702 -11.01457     43.63007 -25.42982      42.34615 38.22021 17.73157 35.26770 16.70740 2.952507       24.36279 
1 1 1 -15 27 17 o 36.94961 12.25926 -14.68396      30.91740 -31.17554     42.31642 4.199836       45.28166 33.51092 16.09984 40.38831 18.49196 -6.877388      24.51852 
1 1 1 -15 27 18 o 42.91357 13.40703 20.22288       29.85445 12.25952      38.60753 32.06703       47.08427 39.78508 17.74576 46.04206 20.10179 -6.256985      26.81406 
1 1 1 -15 29 2  o 97.08767 7.422917 143.6686       18.81873 154.2173      24.57632 128.7165       29.25946 102.8967 8.870173 91.27863 11.90457 11.61807       14.84583 
1 1 1 -15 29 3  o 76.46973 9.487824 90.73267       18.79942 78.17339      23.82780 111.4407       30.59644 69.57062 13.20260 83.36883 13.62962 -13.79821      18.97565 
1 1 1 -15 29 4  o 73.92583 10.69798 91.15520       20.43159 84.24746      27.02134 100.3768       31.22074 71.11984 14.59928 76.73182 15.64123 -5.611977      21.39596 
1 1 1 -15 29 5  o 51.13914 12.36309 47.13063       20.37986 45.33958      27.34067 49.37009       30.57229 50.41868 16.99542 51.85961 17.95939 -1.440929      24.72618 
1 1 1 -15 29 6  o 52.83168 12.59825 50.72782       21.20312 50.88993      28.54032 50.52813       31.67565 53.19110 17.34675 52.47226 18.27441 0.7188492      25.19650 
1 1 1 -15 29 7  o 64.93671 11.76051 73.96234       20.80037 82.97372      29.09313 64.53933       29.75020 69.90730 15.82415 59.96613 17.40213 9.941166       23.52101 
1 1 1 -15 29 8  o 45.28333 12.21117 29.45296       22.14891 53.67278      31.95905 7.068899       30.72401 54.02368 18.37407 36.54298 16.08866 17.48071       24.42235 
1 1 1 -15 29 9  f 71.64443 11.95726 90.76082       23.01499 71.01804      32.38794 110.8990       32.71069 61.97219 18.20704 81.31667 15.50510 -19.34448      23.91452 
1 1 1 -15 29 10 o 33.31493 10.97947 -14.48025      24.29853 -30.22125     33.50233 2.989670       35.29427 29.71494 14.28874 36.91492 16.67414 -7.199982      21.95894 
1 1 1 -15 29 11 o 38.48138 12.22587 6.867182       26.65652 15.49262      36.34654 -3.172083      39.21241 40.16306 17.59487 36.79971 16.97964 3.363358       24.45174 
1 1 1 -15 29 12 o 33.56630 15.69271 -11.56717      35.22940 -11.56717     35.22940 0.000000       0.000000 33.56630 15.69271 ?        ?        ?              ?        
1 1 1 -15 29 13 o 49.17559 13.70058 45.18280       26.50872 43.29435      35.09861 47.69043       40.44536 48.46290 18.80407 49.88827 19.93064 -1.425369      27.40116 
1 1 1 -14 0  1  o 46.30197 11.09877 36.90700       14.23841 59.08963      21.09297 18.33768       19.29874 61.64281 14.64031 30.96113 16.68509 -0.000000      0.000000 
1 1 1 -14 0  2  o 538.2721 8.298965 3907.337       120.1038 3842.994      166.9396 3976.375       172.9233 533.6851 11.62938 542.8591 11.84267 -0.000000      0.000000 
1 1 1 -14 0  3  o 294.8290 5.128112 1172.676       40.65521 1170.435      57.42836 1174.927       57.56218 294.5463 7.250776 295.1117 7.253716 -0.000000      0.000000 
1 1 1 -14 0  4  o 241.6040 4.608659 787.8196       29.92533 792.0127      41.92155 783.4630       42.73170 242.2680 6.436525 240.9400 6.597734 -0.000000      0.000000 
1 1 1 -14 0  5  o 157.4921 4.433806 336.1711       18.70000 350.9662      26.08574 320.5299       26.82118 161.1087 6.032326 153.8755 6.499661 -0.000000      0.000000 
1 1 1 -14 0  6  o 222.9333 4.368867 669.2035       26.05176 655.8846      34.99231 685.7662       39.02166 220.4682 5.904023 225.3985 6.441314 -0.000000      0.000000 
1 1 1 -14 0  7  o 185.5927 4.143461 465.1213       20.63484 496.0372      29.45287 435.3168       28.91861 191.6810 5.717955 179.5045 5.998172 -0.000000      0.000000 
1 1 1 -14 0  8  o 1201.407 17.98776 19494.52       581.1768 19250.50      811.3523 19751.67       832.8870 1193.705 25.26785 1209.109 25.60809 -0.000000      0.000000 
1 1 1 -14 0  9  o 258.4445 4.602745 901.1030       31.97342 901.2726      45.83510 900.9422       44.62371 258.4611 6.595674 258.4278 6.421691 -0.000000      0.000000 
1 1 1 -14 0  10 o 794.4052 11.96110 8513.523       255.5081 8376.768      355.7784 8659.184       367.1772 787.8257 16.78848 800.9845 17.04167 -0.000000      0.000000 
1 1 1 -14 0  11 o 639.3717 9.706049 5514.719       166.8941 5575.661      238.8837 5456.610       233.2644 642.8171 13.81557 635.9263 13.63670 -0.000000      0.000000 
1 1 1 -14 0  12 o 790.8271 11.93492 8425.326       253.4203 8766.883      372.2571 8130.312       345.9662 805.7067 17.17625 775.9476 16.57545 -0.000000      0.000000 
1 1 1 -14 0  13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  14 f 523.4624 8.051530 3691.859       113.1943 3861.923      165.7601 3543.257       154.9480 534.7263 11.52446 512.1985 11.24701 -0.000000      0.000000 
1 1 1 -14 0  15 o 837.1429 12.64061 9479.463       284.2009 9195.182      389.0960 9804.579       416.1034 823.7925 17.55906 850.4933 18.18844 -0.000000      0.000000 
1 1 1 -14 0  16 o 261.5280 4.617462 923.3108       32.45914 915.9398      45.22598 931.1410       46.61379 260.4582 6.457585 262.5978 6.601773 -0.000000      0.000000 
1 1 1 -14 0  17 o 53.75406 10.70229 47.37842       13.42176 44.86916      19.26089 49.74706       18.71342 51.61095 15.85044 55.89716 14.38471 -0.000000      0.000000 
1 1 1 -14 0  18 o 24.98275 10.73276 6.668626       14.02567 -4.105671     22.38445 13.63283       17.99648 22.30005 14.67332 27.66546 15.66724 -0.000000      0.000000 
1 1 1 -14 0  19 o 470.5483 7.309210 2989.747       92.33644 3091.664      135.5979 2901.625       126.0871 477.9731 10.54736 463.1237 10.12183 -0.000000      0.000000 
1 1 1 -14 0  20 o 136.9007 5.770642 261.2516       20.37946 229.5070      32.04324 282.8141       26.40887 129.4324 9.304603 144.3689 6.828295 -0.000000      0.000000 
1 1 1 -14 0  21 o 51.64985 14.38288 46.76754       18.42353 60.20177      31.90960 40.04986       22.56445 57.13600 21.93324 46.16370 18.61189 -0.000000      0.000000 
1 1 1 -14 0  22 o 312.0150 5.590187 1310.850       46.66885 1352.628      69.98788 1277.401       62.62385 316.4471 8.226255 307.5830 7.571624 -0.000000      0.000000 
1 1 1 -14 0  23 o 230.9297 5.626649 723.0033       34.33540 711.6693      53.30834 731.0388       44.88586 229.2748 8.662936 232.5846 7.182637 -0.000000      0.000000 
1 1 1 -14 0  24 o 120.1161 8.954226 201.1209       26.48029 201.5230      45.44830 200.9143       32.58208 119.4658 14.72928 120.7663 10.18631 -0.000000      0.000000 
1 1 1 -14 0  25 f 147.2318 7.322526 298.0340       27.93378 293.3815      44.66698 301.0223       35.79778 145.9525 11.53114 148.5110 9.028306 -0.000000      0.000000 
1 1 1 -14 0  26 o 39.33111 15.81186 18.94707       26.35649 50.27386      43.79519 1.158583       33.00183 49.79324 25.60572 28.86898 18.55818 -0.000000      0.000000 
1 1 1 -14 0  27 o 123.0033 14.83182 214.5852       47.23072 0.000000      0.000000 214.5852       47.23072 123.0033 14.83182 123.0033 14.83182 -0.000000      0.000000 
1 1 1 -14 0  28 o 206.8736 11.66885 598.0555       64.52747 0.000000      0.000000 598.0555       64.52747 206.8736 11.66885 206.8736 11.66885 -0.000000      0.000000 
1 1 1 -14 0  29 o 48.93232 29.25127 43.24261       68.42590 0.000000      0.000000 43.24261       68.42590 48.93232 29.25127 48.93232 29.25127 -0.000000      0.000000 
1 1 1 -14 0  30 o 72.93363 28.65321 107.2324       53.95116 0.000000      0.000000 107.2324       53.95116 72.93363 28.65321 72.93363 28.65321 -0.000000      0.000000 
1 1 1 -14 0  31 o 39.44677 24.14959 26.27152       49.02942 0.000000      0.000000 26.27152       49.02942 39.44677 24.14959 39.44677 24.14959 -0.000000      0.000000 
1 1 1 -14 0  32 o 52.58699 25.61483 64.54143       42.67138 0.000000      0.000000 64.54143       42.67138 52.58699 25.61483 52.58699 25.61483 -0.000000      0.000000 
1 1 1 -14 0  33 f 55.19242 26.69349 79.28429       46.21606 0.000000      0.000000 79.28429       46.21606 55.19242 26.69349 55.19242 26.69349 -0.000000      0.000000 
1 1 1 -14 2  1  o 241.8803 3.288686 787.9567       21.41844 784.6149      30.12677 791.3721       30.45641 241.3621 4.635538 242.3986 4.666221 -1.036484      6.577373 
1 1 1 -14 2  2  o 673.5808 7.223330 6116.136       131.0088 6090.081      184.5105 6142.626       186.0478 672.1359 10.19485 675.0258 10.23577 -2.889954      14.44666 
1 1 1 -14 2  3  o 545.7509 5.911387 4012.423       86.86684 4036.740      123.4400 3988.566       122.2650 547.3883 8.374847 544.1135 8.345055 3.274780       11.82277 
1 1 1 -14 2  4  o 351.7849 4.048036 1664.906       38.31798 1709.256      55.46309 1624.406       53.00036 356.2616 5.781649 347.3082 5.667356 8.953430       8.096072 
1 1 1 -14 2  5  o 667.5803 7.126146 6003.114       128.0723 6077.603      183.3413 5932.126       178.9806 671.6207 10.13801 663.5399 10.01741 8.080872       14.25229 
1 1 1 -14 2  6  o 1057.017 11.18140 15061.86       318.1357 14833.07      442.9700 15305.58       457.1906 1048.745 15.68632 1065.289 15.93846 -16.54370      22.36281 
1 1 1 -14 2  7  o 1129.210 11.93230 17200.40       362.8124 17189.65      512.8918 17211.17       513.2968 1128.857 16.87343 1129.563 16.87620 -0.7060547     23.86459 
1 1 1 -14 2  8  o 311.8428 3.625803 1308.947       30.43810 1285.020      42.47648 1334.202       43.63902 308.9150 5.106533 314.7705 5.148699 -5.855560      7.251606 
1 1 1 -14 2  9  o 898.7108 9.518694 10885.49       230.2892 11035.73      330.1290 10743.10       321.4026 904.7406 13.55115 892.6809 13.37118 12.05969       19.03739 
1 1 1 -14 2  10 o 504.4714 7.731743 3427.982       105.0261 0.000000      0.000000 3427.982       105.0261 ?        ?        504.4714 7.731743 ?              ?        
1 1 1 -14 2  11 o 373.4279 4.221720 1877.754       42.44621 1911.136      60.47099 1845.332       59.59460 376.6991 5.961686 370.1567 5.979129 6.542389       8.443440 
1 1 1 -14 2  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2  13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2  14 o 1014.559 10.80249 13952.67       295.0976 14041.96      419.7029 13865.37       414.9990 1017.751 15.31500 1011.366 15.23896 6.385315       21.60498 
1 1 1 -14 2  15 o 522.3887 5.669984 3681.934       79.75146 3639.561      112.1735 3725.245       113.4078 519.3494 8.021350 525.4280 8.015787 -6.078613      11.33997 
1 1 1 -14 2  16 o 100.0968 3.974785 135.7796       10.41718 132.1468      16.70580 138.0908       13.32512 98.97698 6.268298 101.2166 4.889181 -2.239616      7.949569 
1 1 1 -14 2  17 o 130.6151 3.436156 230.2343       11.88474 228.7019      18.54312 231.3027       15.48290 130.2296 5.287977 131.0007 4.389300 -0.7710419     6.872311 
1 1 1 -14 2  18 o 168.7177 3.099889 382.5241       14.01799 395.4202      20.99546 372.1512       18.82974 171.2679 4.552671 166.1676 4.208376 5.100220       6.199778 
1 1 1 -14 2  19 o 320.2277 3.817169 1379.201       32.82187 1433.335      48.61279 1333.851       44.49440 325.9705 5.538458 314.4850 5.254387 11.48553       7.634337 
1 1 1 -14 2  20 o 186.3433 3.473255 467.1045       17.34664 477.5916      25.93280 458.6126       23.33589 188.2229 5.116742 184.4637 4.698185 3.759201       6.946509 
1 1 1 -14 2  21 o 223.9149 3.475087 675.5253       20.93354 679.9772      30.29744 671.4586       28.95702 224.6161 5.009352 223.2136 4.817812 1.402573       6.950174 
1 1 1 -14 2  22 o 425.1745 4.854506 2437.021       55.55395 2470.124      79.93004 2406.087       77.26787 427.9589 6.936248 422.3902 6.793627 5.568665       9.709012 
1 1 1 -14 2  23 o 459.4350 5.207389 2847.177       64.41960 2820.866      90.88280 2873.746       91.32497 457.2999 7.380695 461.5701 7.347988 -4.270203      10.41478 
1 1 1 -14 2  24 o 119.2008 6.173343 188.8402       19.23816 204.5863      31.74595 179.7014       24.18489 123.0237 9.583327 115.3779 7.784632 7.645744       12.34669 
1 1 1 -14 2  25 o 187.0053 4.815790 472.8194       23.59656 470.3241      37.98227 474.3878       30.11261 186.5327 7.562102 187.4780 5.965060 -0.9452820     9.631580 
1 1 1 -14 2  26 o 165.1518 5.612567 373.8000       24.32893 346.8688      38.20858 392.1646       31.55181 159.9764 8.869958 170.3272 6.879498 -10.35085      11.22513 
1 1 1 -14 2  27 o 303.2076 5.771288 1255.731       45.73226 1206.584      73.40112 1286.914       58.46729 298.0515 9.145935 308.3639 7.041515 -10.31241      11.54258 
1 1 1 -14 2  28 o 228.7253 7.032178 725.8347       41.81659 781.2234      69.72579 694.7224       52.25747 234.2338 11.05505 223.2168 8.694369 11.01698       14.06436 
1 1 1 -14 2  29 o 228.6348 8.441325 741.6752       51.91043 788.3768      74.12762 696.7335       72.71756 235.9590 11.66702 221.3105 12.20264 14.64851       16.88265 
1 1 1 -14 2  30 o 49.99538 14.81221 4.822531       36.13326 48.75393      51.90586 -36.48317      50.33081 60.07373 22.98296 39.91704 18.69197 20.15669       29.62442 
1 1 1 -14 2  31 o 112.9053 12.69380 193.1953       36.19839 128.1171      48.25528 276.9407       54.74029 88.58495 20.61697 137.2257 14.81455 -48.64072      25.38760 
1 1 1 -14 2  32 o 40.53684 13.32737 -19.65213      34.58032 -30.48487     45.37880 -4.649539      53.40315 36.83643 17.40390 44.23724 20.18859 -7.400810      26.65473 
1 1 1 -14 2  33 o 51.61893 15.30188 48.88920       34.00069 41.65915      41.16741 64.40460       60.30652 48.60278 19.85546 54.63508 23.28843 -6.032303      30.60376 
1 1 1 -14 4  1  o 187.3473 3.108485 472.4764       15.67502 483.1587      22.55925 462.5046       21.79608 189.3929 4.423619 185.3017 4.368332 4.091202       6.216971 
1 1 1 -14 4  2  o 386.6191 4.387491 2013.699       45.67475 2007.665      64.37985 2019.813       64.80999 386.0365 6.193530 387.2018 6.216147 -1.165283      8.774981 
1 1 1 -14 4  3  o 665.3023 7.127295 5966.782       127.6808 5960.036      180.2882 5973.570       180.8490 664.9258 10.06956 665.6788 10.08946 -0.7529297     14.25459 
1 1 1 -14 4  4  o 502.3679 5.467274 3395.146       73.88355 3501.808      107.4249 3299.404       101.7779 509.8411 7.825046 494.8947 7.637605 14.94638       10.93455 
1 1 1 -14 4  5  o 635.8229 6.809635 5435.715       116.3936 5257.165      159.1909 5640.806       170.6128 624.6368 9.464708 647.0089 9.793048 -22.37207      13.61927 
1 1 1 -14 4  6  o 602.4621 6.451999 4890.059       104.6664 4883.204      147.9669 4896.924       148.0744 602.0394 9.127593 602.8848 9.121414 -0.8454590     12.90400 
1 1 1 -14 4  7  o 281.4830 3.418478 1066.911       25.90947 1056.855      36.54351 1077.075       36.74033 280.1492 4.844372 282.8167 4.824525 -2.667480      6.836957 
1 1 1 -14 4  8  o 198.2238 4.232831 529.0908       22.59280 0.000000      0.000000 529.0908       22.59280 ?        ?        198.2238 4.232831 ?              ?        
1 1 1 -14 4  9  o 888.6442 9.429880 10647.07       225.6137 10758.12      322.1062 10540.12       316.1102 893.1860 13.39287 884.1022 13.27861 9.083801       18.85976 
1 1 1 -14 4  10 o 809.4009 8.595026 8813.202       186.9726 8517.972      255.1864 9155.394       274.7327 794.8233 11.92349 823.9785 12.38258 -29.15515      17.19005 
1 1 1 -14 4  11 o 620.6992 6.647581 5189.231       111.0502 5307.457      160.1051 5079.621       154.1608 627.5017 9.475604 613.8966 9.325999 13.60510       13.29516 
1 1 1 -14 4  12 o 655.2313 7.001710 5783.254       123.4103 5644.138      170.0479 5938.064       179.3832 646.9318 9.761792 663.5308 10.04008 -16.59906      14.00342 
1 1 1 -14 4  13 o 509.3731 5.539951 3498.128       75.97484 3545.363      108.5129 3452.708       106.4073 512.7427 7.859568 506.0035 7.809701 6.739197       11.07990 
1 1 1 -14 4  14 o 502.6996 5.491758 3386.018       73.97054 3630.726      111.5150 3193.749       98.84715 518.7835 7.982954 486.6158 7.543877 32.16776       10.98352 
1 1 1 -14 4  15 o 272.4001 3.490221 1000.594       25.58683 979.0426      36.51621 1021.380       35.86312 269.5114 5.031821 275.2889 4.838113 -5.777527      6.980441 
1 1 1 -14 4  16 o 107.5983 4.131284 153.1674       11.38999 165.6974      19.70413 146.8795       13.95831 110.8140 6.603580 104.3827 4.966161 6.431252       8.262568 
1 1 1 -14 4  17 o 120.5444 4.167788 205.4461       12.62257 167.4724      20.99547 226.9408       15.79608 111.3468 7.002683 129.7419 4.521533 -18.39510      8.335576 
1 1 1 -14 4  18 o 66.28427 7.078743 54.79741       12.00371 75.63545      21.49422 45.35287       14.47050 74.68516 10.68819 57.88338 9.284238 16.80178       14.15749 
1 1 1 -14 4  19 o 329.8099 4.004196 1466.150       35.44993 1476.531      52.31625 1457.338       48.20346 330.8680 5.872168 328.7518 5.445362 2.116180       8.008391 
1 1 1 -14 4  20 o 375.8455 4.421426 1904.957       44.72281 1822.774      62.84956 1989.256       63.65330 367.6245 6.349134 384.0666 6.155042 -16.44214      8.842853 
1 1 1 -14 4  21 o 83.07451 6.722983 92.05121       14.83980 100.5552      23.32201 86.26569       19.23646 86.23791 10.04348 79.91112 8.939938 6.326790       13.44597 
1 1 1 -14 4  22 o 679.3618 8.993015 6212.173       153.7824 6351.278      272.1377 6146.914       186.3965 684.2563 14.77020 674.4672 10.26345 9.789124       17.98603 
1 1 1 -14 4  23 o 286.0446 4.603638 1112.982       34.02983 1067.992      56.13503 1139.121       42.78857 281.3698 7.409232 290.7195 5.466006 -9.349762      9.207276 
1 1 1 -14 4  24 o 155.5966 5.077371 322.0312       20.63746 346.8049      34.08748 307.6963       25.92967 160.1993 7.902253 150.9940 6.377551 9.205338       10.15474 
1 1 1 -14 4  25 o 116.0860 6.431520 180.4810       19.87945 196.2331      30.96261 169.4335       25.92976 120.3075 9.557875 111.8644 8.608417 8.443153       12.86304 
1 1 1 -14 4  26 o 268.2896 4.954492 968.7072       34.50426 988.9653      57.21919 957.1313       43.25323 270.3453 7.860306 266.2339 6.033536 4.111481       9.908984 
1 1 1 -14 4  27 o 245.3107 5.992639 801.6884       38.38681 875.0927      63.61947 759.6647       48.13678 253.7920 9.309549 236.8294 7.548455 16.96268       11.98528 
1 1 1 -14 4  28 o 98.93214 15.01190 155.3562       41.70298 53.13409      63.24940 233.9723       55.46765 67.82513 25.50474 130.0391 15.84099 -62.21400      30.02380 
1 1 1 -14 4  29 o 59.26460 15.89431 45.70648       34.85206 59.23116      52.47527 35.03196       46.61928 63.74683 23.36760 54.78236 21.55161 8.964466       31.78863 
1 1 1 -14 4  30 f 48.50512 14.07401 19.79716       29.40509 13.15990      44.62340 24.89127       39.09332 47.78306 20.18550 49.22717 19.61777 -1.444111      28.14803 
1 1 1 -14 4  31 o 91.06042 14.81195 136.8129       35.21981 137.0309      46.13322 136.5085       54.52977 92.55911 19.14209 89.56172 22.60876 2.997391       29.62390 
1 1 1 -14 4  32 o 42.70712 13.78098 -3.489603      34.90639 3.825134      44.82217 -14.76334      55.64518 42.61351 19.05576 42.80073 19.91331 -0.1872215     27.56196 
1 1 1 -14 4  33 o 38.44453 12.93044 -17.68598      36.91939 -35.89694     54.41299 -2.150027      50.25800 36.72035 17.79235 40.16872 18.76746 -3.448368      25.86088 
1 1 1 -14 6  1  o 570.0933 6.204900 4386.404       95.24968 4396.092      134.7859 4376.740       134.6210 570.7227 8.770734 569.4637 8.779371 1.258972       12.40980 
1 1 1 -14 6  2  o 540.7186 5.892983 3941.453       85.75708 4030.829      123.6976 3858.741       118.9966 546.6072 8.404320 534.8301 8.262954 11.77710       11.78597 
1 1 1 -14 6  3  o 378.6253 4.303486 1928.870       43.81690 1882.197      60.16510 1981.582       63.93994 373.7601 5.978170 383.4905 6.192047 -9.730408      8.606972 
1 1 1 -14 6  4  f 716.9358 7.660173 6933.230       147.8670 6888.818      207.6423 6978.925       210.6207 714.6121 10.79101 719.2595 10.87507 -4.647461      15.32035 
1 1 1 -14 6  5  o 531.1064 5.750128 3798.881       82.19336 3729.522      114.1375 3873.595       118.4609 526.0784 8.057395 536.1343 8.205746 -10.05591      11.50026 
1 1 1 -14 6  6  f 177.2286 2.998769 423.0929       14.30599 417.6790      20.41332 428.3183       20.05489 176.1135 4.304647 178.3437 4.176179 -2.230179      5.997538 
1 1 1 -14 6  7  o 437.0412 4.822180 2572.951       56.74098 2580.470      80.92707 2565.680       79.57768 437.6674 6.866987 436.4149 6.771865 1.252441       9.644360 
1 1 1 -14 6  8  f 161.5771 3.093243 351.1677       13.42945 384.2499      19.33892 320.3565       18.66333 168.9192 4.251770 154.2350 4.493893 14.68422       6.186487 
1 1 1 -14 6  9  o 295.0089 5.085452 1172.154       40.39690 0.000000      0.000000 1172.154       40.39690 ?        ?        295.0089 5.085452 ?              ?        
1 1 1 -14 6  10 o 260.0138 3.229056 907.8271       22.53144 879.4936      30.44444 942.1401       33.50328 255.5443 4.424440 264.4832 4.704417 -8.938858      6.458112 
1 1 1 -14 6  11 o 207.0543 2.882881 576.0416       16.05362 607.8849      23.39557 547.7071       22.06895 212.4489 4.089739 201.6596 4.064240 10.78928       5.765763 
1 1 1 -14 6  12 o 266.9945 3.306276 959.5062       23.75563 936.1099      32.90952 984.9604       34.32632 263.6008 4.636514 270.3883 4.714721 -6.787537      6.612553 
1 1 1 -14 6  13 o 264.3958 3.348631 938.7462       23.79374 893.3377      32.43700 991.6407       35.00885 257.4992 4.678228 271.2923 4.792443 -13.79312      6.697263 
1 1 1 -14 6  14 o 286.8433 3.607661 1109.062       27.86435 1101.753      39.35974 1116.406       39.45270 285.8951 5.112839 287.7914 5.091145 -1.896332      7.215322 
1 1 1 -14 6  15 o 412.3835 6.567933 2294.606       72.93121 0.000000      0.000000 2294.606       72.93121 ?        ?        412.3835 6.567933 ?              ?        
1 1 1 -14 6  16 o 125.4497 4.153154 213.9041       13.41973 206.9288      22.34919 217.8371       16.78187 123.7967 6.704543 127.1027 4.903453 -3.306007      8.306308 
1 1 1 -14 6  17 o 279.9284 4.833066 1056.473       36.42949 0.000000      0.000000 1056.473       36.42949 ?        ?        279.9284 4.833066 ?              ?        
1 1 1 -14 6  18 o 210.8951 3.743347 604.5717       20.26616 583.7468      33.98347 616.0653       25.24679 207.9994 6.067676 213.7909 4.385647 -5.791504      7.486694 
1 1 1 -14 6  19 o 197.8610 5.492003 536.7127       21.91652 516.4664      52.79395 540.9284       24.09043 195.3761 10.03527 200.3459 4.465610 -4.969742      10.98401 
1 1 1 -14 6  20 o 235.8907 4.954207 695.6384       25.40569 846.3441      58.70028 660.9016       28.18194 250.3254 8.708672 221.4561 4.726066 28.86925       9.908414 
1 1 1 -14 6  21 o 321.6930 5.135147 1330.583       38.93111 1532.338      79.14579 1266.186       44.71465 336.8844 8.724961 306.5016 5.417933 30.38275       10.27029 
1 1 1 -14 6  22 f 120.8070 6.356771 187.0752       18.68600 220.3898      36.24088 175.0115       21.80839 127.6997 10.53964 113.9144 7.109866 13.78522       12.71354 
1 1 1 -14 6  23 o 252.6218 4.639046 839.4376       28.76805 911.8835      54.04438 810.7941       33.98256 259.9625 7.720697 245.2812 5.145273 14.68127       9.278092 
1 1 1 -14 6  24 o 211.8232 4.731246 616.7416       25.47677 571.5582      43.10145 641.0055       31.58512 205.6466 7.783718 217.9998 5.380752 -12.35327      9.462492 
1 1 1 -14 6  25 o 53.56656 11.47252 39.45984       20.49638 2.257435      33.27705 62.20053       26.01724 41.04697 17.39060 66.08614 14.96801 -25.03916      22.94503 
1 1 1 -14 6  26 f 22.90387 11.49542 -117.6317      23.96765 -158.3086     37.82284 -90.33782      30.98222 ?        ?        22.90387 11.49542 ?              ?        
1 1 1 -14 6  27 o 30.63936 10.62701 -93.32228      30.99165 -150.3880     47.53407 -51.12799      40.87372 27.35824 13.79676 33.92048 16.16735 -6.562235      21.25403 
1 1 1 -14 6  28 o 674.7026 9.269289 6258.883       163.1499 5908.507      261.6433 6481.790       208.6911 658.1584 14.76372 691.2467 11.21211 -33.08826      18.53858 
1 1 1 -14 6  29 o 45.38326 13.62798 -9.301742      31.15394 36.34143      46.75829 -45.73941      41.77784 56.14329 21.72616 34.62322 16.45786 21.52007       27.25595 
1 1 1 -14 6  30 o 91.96652 12.45330 127.5019       30.03629 112.3261      43.51064 141.3176       41.51503 85.12451 19.41298 98.80853 15.60370 -13.68402      24.90660 
1 1 1 -14 6  31 o 38.28263 12.49883 -20.54478      30.08993 -6.910335     44.44302 -32.08426      40.88631 41.45578 18.71934 35.10949 16.56713 6.346291       24.99767 
1 1 1 -14 6  32 o 85.00171 14.12617 132.4809       31.71091 113.2953      49.92471 145.4560       41.05671 76.15314 22.66514 93.85027 16.86673 -17.69712      28.25235 
1 1 1 -14 8  1  o 307.6382 3.773004 1275.959       31.25405 1284.078      44.25283 1267.879       44.14717 308.6154 5.325250 306.6609 5.346395 1.954498       7.546007 
1 1 1 -14 8  2  o 172.7562 3.032393 401.9636       14.10001 397.0941      19.61065 407.1750       20.28741 171.6749 4.242304 173.8375 4.334108 -2.162613      6.064787 
1 1 1 -14 8  3  o 165.0484 3.030524 366.6699       13.39897 363.9802      18.02466 369.9919       20.03189 164.3774 4.072317 165.7194 4.489160 -1.342041      6.061049 
1 1 1 -14 8  4  o 261.0251 3.378946 915.7308       23.69440 887.1589      32.23925 949.2933       34.94154 256.6124 4.665775 265.4379 4.888726 -8.825439      6.757892 
1 1 1 -14 8  5  o 92.10938 4.102355 115.8556       10.03541 97.19932      14.53084 132.8688       13.87621 84.91644 6.354999 99.30230 5.189533 -14.38586      8.204709 
1 1 1 -14 8  6  o 257.3746 3.320715 892.2751       23.01119 900.2186      32.81917 884.5938       32.27317 258.5006 4.715011 256.2487 4.677315 2.251923       6.641430 
1 1 1 -14 8  7  o 351.8710 4.022172 1665.368       38.05734 1724.816      55.60308 1612.974       52.20036 357.7632 5.771913 345.9788 5.603258 11.78445       8.044344 
1 1 1 -14 8  8  o 219.0682 4.597590 646.5050       27.12021 0.000000      0.000000 646.5050       27.12021 ?        ?        219.0682 4.597590 ?              ?        
1 1 1 -14 8  9  o 60.78764 5.345571 49.93359       8.623759 50.43184      11.30949 49.24145       13.32966 61.15982 6.867420 60.41547 8.193843 0.7443428      10.69114 
1 1 1 -14 8  10 o 178.3851 2.816394 427.7513       13.50872 444.5310      19.75750 413.0210       18.51173 181.6622 4.039094 175.1079 3.926068 6.554321       5.632787 
1 1 1 -14 8  11 o 177.9581 2.932927 427.9190       14.00845 404.8644      20.28323 448.9449       19.37018 173.3562 4.345247 182.5600 3.940440 -9.203842      5.865854 
1 1 1 -14 8  12 o 73.74919 4.769362 71.44718       9.217690 81.55991      15.24256 65.61672       11.57379 77.74355 7.281323 69.75483 6.161948 7.988716       9.538725 
1 1 1 -14 8  13 o 127.6446 3.647315 219.5217       12.16683 220.1690      19.76144 219.1264       15.44029 127.7761 5.743618 127.5132 4.496940 0.2629471      7.294629 
1 1 1 -14 8  14 o 176.9066 3.315799 419.7741       15.60812 435.0038      24.18213 408.8990       20.43454 179.6290 4.999594 174.1841 4.356853 5.444901       6.631599 
1 1 1 -14 8  15 o 48.58926 9.252632 33.54179       12.10495 30.43669      20.28632 35.25870       15.08478 47.20989 14.53294 49.96862 11.45594 -2.758728      18.50526 
1 1 1 -14 8  16 o 163.2290 6.688741 391.3798       21.23945 317.0335      51.03996 406.9505       23.35793 152.7330 12.41063 173.7249 4.993314 -20.99188      13.37748 
1 1 1 -14 8  17 o 96.38012 11.08171 161.8515       17.27731 90.14143      46.51321 173.3293       18.60871 79.41802 21.30821 113.3422 6.097350 -33.92419      22.16343 
1 1 1 -14 8  18 o 335.8773 5.610849 1532.872       44.30376 1504.531      87.06631 1542.774       51.46484 333.5111 9.695192 338.2436 5.650640 -4.732483      11.22170 
1 1 1 -14 8  19 o 320.4924 5.434983 1424.304       41.88836 1300.836      77.94618 1474.442       49.67038 310.2706 9.329768 330.7143 5.577776 -20.44376      10.86997 
1 1 1 -14 8  20 o 348.0366 5.539352 1643.265       45.88869 1616.609      88.53150 1653.058       53.65971 345.8963 9.505360 350.1768 5.690855 -4.280579      11.07870 
1 1 1 -14 8  21 o 378.1577 5.789334 1990.647       55.64983 1731.944      92.38184 2137.991       69.71895 358.1048 9.580607 398.2105 6.502116 -40.10568      11.57867 
1 1 1 -14 8  22 o 395.7990 6.059484 1962.080       54.78225 2408.988      118.2767 1840.022       61.81218 422.1697 10.40468 369.4281 6.213850 52.74161       12.11897 
1 1 1 -14 8  23 o 138.3643 7.261890 280.6407       21.85398 223.3616      45.24866 298.0667       24.95788 128.1170 13.11643 148.6117 6.236936 -20.49478      14.52378 
1 1 1 -14 8  24 o 129.7730 7.097189 243.2763       21.84983 195.9711      39.98702 263.4130       26.08907 119.9326 12.38222 139.6135 6.939812 -19.68095      14.19438 
1 1 1 -14 8  25 o 380.9145 5.579677 2000.142       54.91529 1824.647      89.25707 2107.034       69.66000 366.9183 9.034204 394.9107 6.550904 -27.99240      11.15935 
1 1 1 -14 8  26 o 269.0063 5.830312 977.8950       41.10782 995.9290      66.47887 966.7303       52.30697 270.7938 9.117202 267.2187 7.269579 3.575073       11.66062 
1 1 1 -14 8  27 o 37.09196 12.72031 -85.07489      39.37615 -66.41187     57.51134 -101.5436      54.02463 39.90899 19.06468 34.27493 16.84527 5.634064       25.44062 
1 1 1 -14 8  28 o 138.1287 10.71448 291.3608       38.93664 248.5884      58.08826 326.2581       52.46897 126.9009 16.99966 149.3565 13.04653 -22.45558      21.42896 
1 1 1 -14 8  29 o 84.82433 12.51521 109.0213       28.19667 86.96870      39.72979 131.4019       40.02406 74.53194 19.55281 95.11671 15.62719 -20.58477      25.03041 
1 1 1 -14 8  30 o 108.8236 10.01613 173.7229       29.08207 164.7639      43.32688 181.0691       39.23360 105.5912 15.23864 112.0559 13.00289 -6.464706      20.03226 
1 1 1 -14 8  31 o 42.60219 13.46592 2.328434       30.99129 0.5048441     49.86238 3.476350       39.56074 44.14447 19.89032 41.05991 18.15763 3.084560       26.93184 
1 1 1 -14 8  32 o 48.25299 14.69435 35.42219       33.65713 48.51199      54.82643 27.50597       42.63659 51.42956 22.07051 45.07643 19.40588 6.353127       29.38870 
1 1 1 -14 10 1  f 118.3926 3.306071 188.8880       10.48951 190.0331      15.63573 187.9509       14.14487 118.7105 4.891540 118.0747 4.448962 0.6357956      6.612143 
1 1 1 -14 10 2  o 160.9311 2.897276 348.8542       12.54659 344.8470      17.38771 353.2072       18.12220 159.9697 4.036653 161.8926 4.157195 -1.922974      5.794552 
1 1 1 -14 10 3  o 73.13683 4.965791 71.76206       9.675951 58.27847      13.16548 87.60014       14.26873 65.69958 7.442020 80.57409 6.576675 -14.87451      9.931582 
1 1 1 -14 10 4  o 145.1161 5.136479 306.4239       15.88334 248.2431      34.02164 322.6391       17.96085 135.4989 9.324726 154.7332 4.310820 -19.23430      10.27296 
1 1 1 -14 10 5  o 150.1978 2.826938 304.0373       11.36922 304.6928      15.30039 303.2293       16.98884 150.3848 3.778463 150.0108 4.205891 0.3740234      5.653875 
1 1 1 -14 10 6  o 103.6903 3.442333 146.8734       9.074168 151.1090      11.21542 138.8459       15.44016 105.9038 3.932968 101.4767 5.650698 4.427132       6.884666 
1 1 1 -14 10 7  o 107.6000 5.404221 156.0844       15.65774 0.000000      0.000000 156.0844       15.65774 ?        ?        107.6000 5.404221 ?              ?        
1 1 1 -14 10 8  o 222.9572 3.115462 666.2723       18.58865 700.9600      28.16094 639.4882       24.74562 228.0638 4.585719 217.8506 4.218483 10.21318       6.230924 
1 1 1 -14 10 9  o 348.4098 4.029837 1637.381       37.77084 1625.072      54.49435 1648.762       52.39928 347.1363 5.829992 349.6832 5.565026 -2.546875      8.059673 
1 1 1 -14 10 10 o 239.6401 3.228198 775.2847       20.75409 757.2343      30.49162 790.8654       28.32898 237.0251 4.777522 242.2551 4.342848 -5.229965      6.456396 
1 1 1 -14 10 11 o 193.4649 3.079240 505.4044       15.82530 498.1996      24.37666 510.6531       20.80584 192.2548 4.708837 194.6750 3.969096 -2.420212      6.158479 
1 1 1 -14 10 12 o 179.4394 4.715493 429.2043       17.71885 443.2378      41.42284 426.0615       19.60279 181.0707 8.495879 177.8081 4.094331 3.262558       9.430986 
1 1 1 -14 10 13 o 187.4519 5.103507 500.0175       23.91034 399.5217      39.89335 556.3573       29.86993 171.8280 8.622301 203.0758 5.462513 -31.24782      10.20701 
1 1 1 -14 10 14 o 130.7760 6.235547 256.6584       16.81481 192.4167      36.72998 273.6918       18.91308 119.0779 11.45529 142.4741 4.929955 -23.39619      12.47109 
1 1 1 -14 10 15 o 278.8828 4.756845 1051.312       31.96043 1048.178      60.68404 1052.515       37.59740 278.4030 8.095008 279.3627 4.998112 -0.9597168     9.513689 
1 1 1 -14 10 16 o 60.11247 10.96581 60.51947       17.39949 8.225872      41.07837 71.95271       19.20762 47.29859 19.62952 72.92635 9.781504 -25.62775      21.93162 
1 1 1 -14 10 17 o 142.3114 6.710654 269.0970       21.02243 281.9821      46.13968 265.7214       23.61616 144.2601 11.87805 140.3627 6.248480 3.897400       13.42131 
1 1 1 -14 10 18 f 199.1302 6.608988 543.0569       34.48430 501.9986      54.35195 570.7205       44.61370 192.6516 10.47754 205.6088 8.058295 -12.95726      13.21798 
1 1 1 -14 10 19 f 57.79232 13.94530 33.79144       20.00427 59.55611      52.07249 29.33077       21.66686 68.52853 23.45305 47.05611 15.09435 21.47242       27.89059 
1 1 1 -14 10 20 o 56.69463 13.50774 22.19934       19.91937 79.63744      49.74141 11.22886       21.73856 75.78175 22.63918 37.60751 14.74121 38.17423       27.01547 
1 1 1 -14 10 21 o 149.2722 7.729352 313.7495       22.54584 283.3293      55.52883 319.7542       24.67089 144.5332 14.26815 154.0112 5.949072 -9.477982      15.45870 
1 1 1 -14 10 22 o 312.8278 5.641471 1293.047       39.48119 1376.282      85.06266 1270.192       44.57321 318.7724 9.910028 306.8831 5.394082 11.88922       11.28294 
1 1 1 -14 10 23 o 107.7381 11.83665 205.9368       22.62806 105.6112      52.67659 228.6387       25.05777 85.41084 22.56623 130.0654 7.154793 -44.65461      23.67331 
1 1 1 -14 10 24 o 189.7757 6.064279 498.5313       26.70638 466.7334      52.82635 509.4485       30.95325 185.3147 10.58662 194.2367 5.918225 -8.922028      12.12856 
1 1 1 -14 10 25 o 275.1475 6.108377 1052.878       40.78105 966.9248      74.82166 1089.203       48.64106 266.4684 10.42793 283.8265 6.364536 -17.35806      12.21675 
1 1 1 -14 10 26 o 53.99208 15.02689 26.30502       35.85630 -30.33309     58.11918 61.11020       45.56035 44.39721 20.55051 63.58695 21.92956 -19.18974      30.05377 
1 1 1 -14 10 27 o 79.82441 25.80953 89.79823       63.25191 0.000000      0.000000 89.79823       63.25191 ?        ?        79.82441 25.80953 ?              ?        
1 1 1 -14 10 28 o 30.03642 10.46841 -85.82096      30.35992 -64.42781     42.29133 -108.5689      43.60984 32.01726 15.55340 28.05558 14.01578 3.961685       20.93682 
1 1 1 -14 10 29 o 58.63951 12.50070 30.17598       28.30010 107.5216      41.95492 -34.39661      38.33444 83.14081 19.13728 34.13821 16.08834 49.00260       25.00140 
1 1 1 -14 10 30 o 73.92216 15.76833 92.77172       32.18077 100.7602      59.65012 89.49214       38.21987 74.04610 25.10273 73.79822 19.08963 0.2478790      31.53666 
1 1 1 -14 10 31 f 41.02875 13.36229 -3.771722      31.84132 -0.3348373    56.98260 -5.332098      38.39499 44.51699 20.51516 37.54051 17.12691 6.976482       26.72458 
1 1 1 -14 10 32 o 80.18127 15.75530 141.6961       35.50837 129.9709      60.41318 147.8846       43.88971 71.39207 25.21067 88.97048 18.90344 -17.57841      31.51060 
1 1 1 -14 12 1  o 274.0383 5.020582 1005.429       31.48212 997.5475      35.96585 1031.260       65.11035 271.9913 4.910796 276.0853 8.758371 -4.093994      10.04116 
1 1 1 -14 12 2  o 260.1372 4.848445 908.6085       29.83565 902.8809      34.66244 924.9855       58.61275 258.7536 4.974957 261.5209 8.323429 -2.767334      9.696890 
1 1 1 -14 12 3  o 101.0669 3.031508 133.5790       7.623533 127.4263      9.075912 148.3225       14.04933 97.25130 3.465863 104.8824 4.974731 -7.631119      6.063015 
1 1 1 -14 12 4  o 131.8533 2.719678 235.1478       9.568549 241.1811      12.79692 227.4976       14.41022 133.7878 3.552267 129.9188 4.119223 3.869034       5.439356 
1 1 1 -14 12 5  o 261.6306 3.458047 923.0848       24.36113 916.9979      34.42384 929.1915       34.47992 260.7655 4.902592 262.4956 4.878212 -1.730133      6.916095 
1 1 1 -14 12 6  o 169.1362 3.072963 385.4612       13.98011 389.2849      20.29031 382.0056       19.28936 169.9300 4.434405 168.3425 4.255404 1.587494       6.145926 
1 1 1 -14 12 7  o 251.9027 4.825791 857.8483       27.25513 855.3419      57.62206 858.5707       30.93436 251.4498 8.510479 252.3555 4.552448 -0.9056396     9.651582 
1 1 1 -14 12 8  o 166.9893 5.361814 371.8894       16.42187 383.7758      45.17101 370.0792       17.62807 168.2713 9.969341 165.7074 3.950749 2.563858       10.72363 
1 1 1 -14 12 9  o 286.8144 4.886492 1080.607       31.77003 1168.189      67.44119 1055.628       36.01669 293.8343 8.523920 279.7945 4.780586 14.03979       9.772985 
1 1 1 -14 12 10 o 105.2112 7.295764 155.1401       12.61380 143.6571      38.27699 156.5390       13.36007 102.6670 13.84597 107.7555 4.604539 -5.088448      14.59153 
1 1 1 -14 12 11 o 80.49950 9.104353 85.53144       12.69495 95.48280      36.45166 84.15783       13.54280 82.03296 17.05844 78.96603 6.369198 3.066925       18.20871 
1 1 1 -14 12 12 o 145.8751 5.551179 293.0664       16.76970 279.2575      38.95432 296.2077       18.57948 143.5308 10.07922 148.2193 4.655275 -4.688522      11.10236 
1 1 1 -14 12 13 o 199.9691 4.728654 532.6969       21.47787 553.2065      45.03454 526.6585       24.43591 202.2832 8.268038 197.6550 4.591320 4.628281       9.457308 
1 1 1 -14 12 14 o 315.2953 4.948451 1311.452       36.32377 1402.340      73.98341 1282.584       41.69513 322.1393 8.529181 308.4513 5.020135 13.68799       9.896902 
1 1 1 -14 12 15 o 207.4674 5.031978 598.2612       24.48238 545.2057      47.35892 617.6108       28.60047 200.8766 8.755662 214.0582 4.962014 -13.18156      10.06396 
1 1 1 -14 12 16 o 361.6034 5.279509 1782.534       46.76251 1720.961      85.68038 1808.656       55.80721 356.9305 8.914858 366.2763 5.658458 -9.345825      10.55902 
1 1 1 -14 12 17 o 306.9576 5.183481 1285.793       38.84689 1237.049      71.50652 1306.203       46.27042 302.6346 8.774932 311.2806 5.520368 -8.646027      10.36696 
1 1 1 -14 12 18 o 92.08650 10.99567 142.0051       21.61395 74.40136      41.28045 167.5380       25.36933 72.76092 20.30038 111.4121 8.456552 -38.65117      21.99133 
1 1 1 -14 12 19 o 464.9048 6.755420 2839.840       70.68687 3064.776      151.5220 2777.269       79.91599 475.9617 11.82280 453.8478 6.539432 22.11386       13.51084 
1 1 1 -14 12 20 o 319.3894 6.210884 1398.777       50.35680 1311.094      85.71231 1444.996       62.22903 311.4673 10.21992 327.3115 7.060711 -15.84415      12.42177 
1 1 1 -14 12 21 o 181.7392 7.587645 420.4423       30.27226 496.4496      68.51067 402.0022       33.74522 190.9662 13.32350 172.5123 7.264553 18.45392       15.17529 
1 1 1 -14 12 22 o 264.6687 6.358938 973.2373       41.84030 883.8181      73.39985 1016.279       50.92401 255.0947 10.68588 274.2427 6.896110 -19.14795      12.71788 
1 1 1 -14 12 23 o 237.4641 6.529434 811.1429       37.64363 650.0410      66.21991 888.0585       45.75576 218.5721 11.25150 256.3560 6.628557 -37.78389      13.05887 
1 1 1 -14 12 24 o 188.3266 8.478471 535.4061       37.06322 376.2298      66.94046 605.7742       44.50792 165.2125 15.04743 211.4406 7.817457 -46.22812      16.95694 
1 1 1 -14 12 25 o 68.89069 17.40498 63.65248       38.01345 71.59217      71.43172 60.51560       44.89915 72.75994 27.15437 65.02143 21.78011 7.738510       34.80995 
1 1 1 -14 12 26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 27 o 134.9828 11.55211 263.2197       41.58033 290.5196      57.36969 233.0092       60.35040 143.1110 14.88765 126.8546 17.66812 16.25639       23.10421 
1 1 1 -14 12 28 o 44.67061 14.07678 -6.995437      34.22290 -3.572846     46.46389 -11.05398      50.59679 44.56375 19.69408 44.77747 20.11880 -0.2137260     28.15356 
1 1 1 -14 12 29 o 47.01645 14.70261 3.168102       36.06618 20.94445      56.70121 -8.911221      46.74039 51.86140 22.35270 42.17150 19.10560 9.689899       29.40522 
1 1 1 -14 12 30 o 60.87894 16.23681 68.97869       36.71739 56.30025      58.49934 77.22005       47.16478 57.51823 23.60288 64.23965 22.30335 -6.721424      32.47361 
1 1 1 -14 12 31 f 111.4556 17.61231 220.0545       52.85690 0.000000      0.000000 220.0545       52.85690 ?        ?        111.4556 17.61231 ?              ?        
1 1 1 -14 14 1  o 348.5157 6.711483 1641.746       62.84670 1639.163      91.91170 1644.015       86.12733 348.2137 9.802607 348.8177 9.169784 -0.6040344     13.42297 
1 1 1 -14 14 2  o 191.8253 6.877874 500.1136       35.33744 450.9745      50.71765 546.4752       49.26344 182.5686 10.31691 201.0821 9.098460 -18.51350      13.75575 
1 1 1 -14 14 3  f 165.8567 6.305551 358.9591       20.75608 391.2531      52.59291 353.0013       22.58970 169.9001 11.49609 161.8132 5.184575 8.086899       12.61110 
1 1 1 -14 14 4  o 296.0446 5.243191 1228.623       32.49072 1111.560      73.45757 1257.094       36.22702 286.6731 9.516258 305.4161 4.405116 -18.74301      10.48638 
1 1 1 -14 14 5  o 499.3591 6.643156 3476.712       78.40369 3153.216      149.5919 3599.232       92.06136 482.2686 11.51955 516.4496 6.620122 -34.18106      13.28631 
1 1 1 -14 14 6  f 160.2643 6.099158 379.5933       15.32368 308.6756      47.41232 387.8654       16.19273 150.8550 11.67208 169.6736 3.544233 -18.81865      12.19832 
1 1 1 -14 14 7  o 343.4390 5.264566 1572.997       38.89785 1626.142      87.78352 1560.013       43.39017 346.6909 9.403448 340.1871 4.736855 6.503815       10.52913 
1 1 1 -14 14 8  o 193.8150 5.181910 501.7678       18.50706 514.7612      50.56584 499.7580       19.88692 195.0423 9.628199 192.5878 3.834912 2.454529       10.36382 
1 1 1 -14 14 9  o 91.48952 8.411353 100.1417       12.35343 131.2523      41.84724 97.17178       12.92965 98.09421 15.84310 84.88483 5.656830 13.20938       16.82271 
1 1 1 -14 14 10 o 214.5571 4.828690 625.2839       21.63963 614.8773      50.14267 627.6657       23.98849 213.2909 8.730753 215.8233 4.127825 -2.532364      9.657380 
1 1 1 -14 14 11 o 195.6923 5.026960 532.4686       20.49510 492.4438      46.89481 541.9186       22.78650 190.8477 9.125456 200.5369 4.219878 -9.689285      10.05392 
1 1 1 -14 14 12 o 220.7109 4.900863 655.2855       23.23083 660.6044      52.23166 653.9739       25.93748 221.1220 8.772402 220.2997 4.372506 0.8222809      9.801726 
1 1 1 -14 14 13 o 265.4669 4.793542 928.5194       28.30623 990.1758      61.52402 911.9637       31.88086 270.7852 8.437941 260.1486 4.551193 10.63663       9.587085 
1 1 1 -14 14 14 o 135.6269 6.450029 249.4251       19.37093 246.9352      41.58869 250.1149       21.89043 135.0572 11.43600 136.1966 5.969042 -1.139404      12.90006 
1 1 1 -14 14 15 o 249.7322 5.348633 846.8670       35.11242 816.5497      55.55416 867.0342       45.31007 245.9205 8.389547 253.5439 6.636791 -7.623474      10.69727 
1 1 1 -14 14 16 o 279.0836 5.443750 1059.489       39.98116 1007.871      62.81482 1094.641       51.83721 273.2556 8.537087 284.9117 6.756907 -11.65610      10.88750 
1 1 1 -14 14 17 o 75.01685 13.24729 78.94133       26.29378 83.27995      41.55787 76.04516       33.95397 76.71204 19.93631 73.32166 17.45012 3.390388       26.49459 
1 1 1 -14 14 18 o 132.0961 8.594704 232.6413       30.33371 267.6602      46.49420 206.6887       40.02557 140.6138 12.27969 123.5784 12.02851 17.03545       17.18941 
1 1 1 -14 14 19 f 319.4623 6.067261 1397.575       51.06532 1281.054      79.02361 1481.117       66.91254 307.7336 9.536711 331.1910 7.503184 -23.45740      12.13452 
1 1 1 -14 14 20 o 182.9124 7.282338 464.7004       34.08124 415.4542      56.24585 493.2714       42.84171 174.8483 11.94664 190.9765 8.331122 -16.12819      14.56468 
1 1 1 -14 14 21 o 110.5917 11.05853 151.0790       29.32505 206.7325      59.76338 133.4296       33.65526 122.2765 18.15134 98.90686 12.63698 23.36964       22.11706 
1 1 1 -14 14 22 o 99.43624 13.94914 184.8622       29.57969 66.16206      65.14374 215.6920       33.19953 72.79244 26.12818 126.0800 9.779175 -53.28760      27.89828 
1 1 1 -14 14 23 o 226.5396 7.795074 682.3414       42.14281 738.0646      82.72569 662.8120       48.97404 231.9907 13.24300 221.0885 8.226522 10.90219       15.59015 
1 1 1 -14 14 24 o 34.33813 12.21156 -104.5588      37.68906 -108.8888     76.66520 -103.1788      43.28008 40.84809 20.07402 27.82816 13.91124 13.01993       24.42312 
1 1 1 -14 14 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 14 26 o 43.00269 13.90339 -23.06303      35.92212 -39.30313     56.25320 -11.88058      46.67900 42.75002 19.93375 43.25537 19.38719 -0.5053482     27.80679 
1 1 1 -14 14 27 o 74.75203 16.03671 89.03854       34.70651 87.69393      55.33896 89.91030       44.55901 73.99451 24.15599 75.50955 21.09958 -1.515038      32.07342 
1 1 1 -14 14 28 o 41.26856 13.86792 -38.81910      37.68179 -28.54531     68.76662 -43.22776      45.04696 46.97309 21.94869 35.56403 16.95676 11.40906       27.73584 
1 1 1 -14 14 29 o 57.94936 16.27108 48.41728       36.66741 93.08451      62.87523 25.39706       45.13774 67.99854 25.45670 47.90019 20.27186 20.09834       32.54216 
1 1 1 -14 14 30 o 41.96664 13.77165 4.241193       37.22236 -13.16092     60.73080 14.71170       47.10769 41.29024 19.68743 42.64304 19.26234 -1.352795      27.54329 
1 1 1 -14 16 1  o 710.1265 11.11045 6847.538       212.4215 6897.014      303.1829 6799.832       297.7105 712.6115 15.80042 707.6415 15.62419 4.969910       22.22090 
1 1 1 -14 16 2  o 537.2782 8.763326 3907.122       126.7039 3964.814      182.9073 3853.897       175.6835 541.0484 12.55485 533.5081 12.22944 7.540344       17.52665 
1 1 1 -14 16 3  f 420.3243 6.315672 2306.947       63.14933 2556.911      125.4500 2222.111       73.08413 434.7620 10.71607 405.8867 6.687056 28.87537       12.63134 
1 1 1 -14 16 4  o 230.6449 5.170635 701.0684       25.54938 745.7591      58.39400 690.4874       28.41340 234.9293 9.230976 226.3605 4.661646 8.568832       10.34127 
1 1 1 -14 16 5  o 285.4562 4.942378 1089.237       28.22466 1114.492      69.77035 1084.295       30.86275 287.2203 9.021367 283.6920 4.040212 3.528320       9.884755 
1 1 1 -14 16 6  o 267.6476 4.933805 949.6028       25.79848 991.0826      65.99169 942.1198       28.02909 270.8507 9.048486 264.4445 3.936325 6.406158       9.867611 
1 1 1 -14 16 7  o 266.1866 4.951246 967.1890       26.52168 938.9780      64.22974 972.9876       29.12013 263.6353 9.047931 268.7379 4.024214 -5.102631      9.902493 
1 1 1 -14 16 8  o 256.7280 4.913783 888.8829       25.58820 889.5966      61.82785 888.7354       28.10841 256.6185 8.947729 256.8374 4.064382 -0.2189636     9.827566 
1 1 1 -14 16 9  f 38.14149 10.59184 14.16583       14.18192 -55.35127     44.98247 21.83843       14.94407 36.02948 17.11205 40.25349 12.48703 -4.224014      21.18368 
1 1 1 -14 16 10 o 467.8158 6.287725 2984.145       68.05097 2901.866      136.6551 3011.277       78.47292 463.0812 10.95936 472.5504 6.167203 -9.469238      12.57545 
1 1 1 -14 16 11 o 138.3908 7.122222 263.9698       23.83039 247.3302      44.25423 270.7653       28.28088 135.1275 12.16264 141.6541 7.414476 -6.526566      14.24444 
1 1 1 -14 16 12 o 288.6315 5.341153 1132.413       39.04573 1098.980      67.40417 1149.298       47.90123 285.2936 8.774277 291.9695 6.092925 -6.675873      10.68231 
1 1 1 -14 16 13 o 198.8741 5.786931 530.5959       28.94589 542.5119      51.31945 525.0364       35.05399 200.4207 9.509463 197.3276 6.597300 3.093063       11.57386 
1 1 1 -14 16 14 o 478.0999 6.264040 3063.177       78.61121 3185.118      127.2571 2987.930       99.96518 485.6055 9.732288 470.5943 7.888940 15.01114       12.52808 
1 1 1 -14 16 15 o 480.4551 6.867387 3139.922       85.27200 3039.593      140.9470 3197.845       107.0946 474.1248 11.04027 486.7855 8.170464 -12.66064      13.73477 
1 1 1 -14 16 16 o 414.5649 6.334021 2320.819       67.84842 2319.954      113.1514 2321.304       84.78075 414.3343 10.14205 414.7955 7.590664 -0.4612732     12.66804 
1 1 1 -14 16 17 o 226.0209 5.947603 699.3522       35.54169 637.0464      54.27505 746.1292       47.02749 216.9957 9.288930 235.0461 7.430457 -18.05031      11.89521 
1 1 1 -14 16 18 f 163.1187 7.517715 361.1300       32.66269 358.9315      49.91009 362.7769       43.19765 162.5953 11.39979 163.6420 9.803515 -1.046722      15.03543 
1 1 1 -14 16 19 f 112.3274 10.47185 175.9715       30.98627 153.8549      47.08432 192.8679       41.15431 105.7496 16.53539 118.9052 12.85379 -13.15563      20.94371 
1 1 1 -14 16 20 o 83.85984 23.70752 101.9677       55.91475 101.9677      55.91475 0.000000       0.000000 83.85984 23.70752 ?        ?        ?              ?        
1 1 1 -14 16 21 o 48.72007 22.29487 -38.56202      65.70099 -38.56202     65.70099 0.000000       0.000000 48.72007 22.29487 ?        ?        ?              ?        
1 1 1 -14 16 22 o 145.1687 10.62659 303.1027       36.56252 261.5835      68.20558 319.8448       43.31139 137.0526 18.48201 153.2849 10.49348 -16.23227      21.25319 
1 1 1 -14 16 23 o 66.42105 14.64884 32.36737       44.40244 -190.6618     81.98749 124.9326       52.81905 39.99614 19.85527 92.84597 21.54350 -52.84983      29.29769 
1 1 1 -14 16 24 o 36.35770 12.68348 -93.55276      42.24062 -136.6678     75.05639 -73.56702      51.10146 38.21668 18.97625 34.49873 16.83404 3.717953       25.36696 
1 1 1 -14 16 25 o 48.69926 13.50239 14.77712       30.54949 -51.66439     50.54029 53.02886       38.34808 37.79390 18.00364 59.60462 20.12776 -21.81072      27.00477 
1 1 1 -14 16 26 o 34.84681 11.81310 -46.39310      30.07500 -65.95619     52.88972 -37.04464      36.56138 37.00040 17.83251 32.69322 15.49836 4.307178       23.62621 
1 1 1 -14 16 27 o 68.01218 16.33835 70.62881       34.17445 113.7548      60.50598 50.42627       41.41252 78.92661 25.21427 57.09776 20.78478 21.82885       32.67670 
1 1 1 -14 16 28 f 37.69164 12.67455 -29.79826      33.91594 -66.11167     62.05585 -14.33118      40.49985 38.27991 18.65083 37.10336 17.16751 1.176559       25.34910 
1 1 1 -14 16 29 o 34.25827 11.73263 -38.19085      33.48449 -51.99717     50.07744 -27.02651      45.03184 33.60997 16.45654 34.90657 16.72725 -1.296600      23.46526 
1 1 1 -14 18 1  o 287.2055 6.700315 1113.180       51.72221 1133.996      75.75961 1095.006       70.78593 289.6924 9.712191 284.7185 9.233106 4.973907       13.40063 
1 1 1 -14 18 2  o 263.6554 6.392341 937.1548       45.31800 966.0833      66.21738 911.6677       62.15411 267.4630 9.194432 259.8478 8.883159 7.615173       12.78468 
1 1 1 -14 18 3  o 249.7965 5.337098 823.8844       29.06127 872.5663      64.83230 811.6431       32.51040 254.1691 9.472953 245.4239 4.919513 8.745163       10.67420 
1 1 1 -14 18 4  o 357.5072 5.400551 1712.620       41.00622 1743.352      93.79306 1705.358       45.59465 359.2532 9.695868 355.7611 4.759617 3.492065       10.80110 
1 1 1 -14 18 5  o 185.4725 5.340594 436.4242       15.54006 499.0359      52.43302 430.3947       16.27111 192.1847 10.13217 178.7602 3.380360 13.42450       10.68119 
1 1 1 -14 18 6  o 158.0926 5.774673 311.4027       14.21036 370.1547      48.80645 305.9608       14.85390 165.4704 10.95402 150.7149 3.660167 14.75552       11.54935 
1 1 1 -14 18 7  o 312.4064 5.424889 1331.633       41.20096 1281.574      76.39482 1352.166       48.92625 308.0800 9.209096 316.7327 5.736745 -8.652710      10.84978 
1 1 1 -14 18 8  o 411.2014 6.292358 2255.361       62.68969 2345.338      119.1690 2220.934       73.71361 416.5661 10.62420 405.8367 6.745482 10.72946       12.58472 
1 1 1 -14 18 9  o 767.6478 11.71602 7971.482       242.1729 0.000000      0.000000 7971.482       242.1729 ?        ?        767.6478 11.71602 ?              ?        
1 1 1 -14 18 10 o 515.4415 6.264096 3579.468       85.81488 3632.205      132.8977 3541.755       112.3859 518.5815 9.517374 512.3016 8.147096 6.279907       12.52819 
1 1 1 -14 18 11 o 327.8029 5.083209 1452.796       43.57040 1435.029      70.39046 1463.831       55.47504 326.1001 8.016402 329.5056 6.252467 -3.405487      10.16642 
1 1 1 -14 18 12 o 698.1359 9.431573 6557.218       165.2690 6735.035      294.3364 6475.343       199.7259 704.2032 15.52253 692.0685 10.71771 12.13464       18.86315 
1 1 1 -14 18 13 o 770.3291 10.32051 8030.129       200.8932 8134.595      351.9549 7979.648       244.6651 772.9257 16.91087 767.7325 11.83529 5.193176       20.64101 
1 1 1 -14 18 14 o 253.6306 5.827682 886.3549       37.22334 820.7916      64.12727 919.6705       45.71272 246.2282 9.672115 261.0329 6.503670 -14.80463      11.65536 
1 1 1 -14 18 15 o 306.3141 6.727098 1266.856       55.48534 0.000000      0.000000 1266.856       55.48534 ?        ?        306.3141 6.727098 ?              ?        
1 1 1 -14 18 16 o 184.3369 6.545374 449.8904       31.20973 497.7724      53.08059 424.5910       38.58370 191.5222 10.29279 177.1516 8.088638 14.37056       13.09075 
1 1 1 -14 18 17 o 243.5434 6.126628 811.2619       38.27512 777.5115      64.12258 829.9432       47.70605 239.3296 9.950185 247.7571 7.150953 -8.427521      12.25326 
1 1 1 -14 18 18 o 41.03499 13.30281 -25.03169      31.30048 -57.33993     58.63650 -12.15685      37.01538 42.75238 20.06926 39.31759 17.46665 3.434788       26.60562 
1 1 1 -14 18 19 f 198.1116 14.77285 540.1233       78.80570 540.1233      78.80570 0.000000       0.000000 198.1116 14.77285 ?        ?        ?              ?        
1 1 1 -14 18 20 o 230.4599 14.59567 730.3697       90.57385 730.3697      90.57385 0.000000       0.000000 230.4599 14.59567 ?        ?        ?              ?        
1 1 1 -14 18 21 o 45.69418 15.22735 -50.01277      47.48890 -172.2189     97.54917 -12.05489      54.36609 44.90594 22.17779 46.48241 20.87186 -1.576469      30.45471 
1 1 1 -14 18 22 o 281.6786 14.70084 1088.646       111.5011 1088.646      111.5011 0.000000       0.000000 281.6786 14.70084 ?        ?        ?              ?        
1 1 1 -14 18 23 o 59.03893 15.70910 43.15564       35.39289 -15.62106     69.55896 63.68862       41.11274 52.45724 23.57757 65.62061 20.76538 -13.16337      31.41819 
1 1 1 -14 18 24 f 52.31660 15.19241 20.40944       30.52954 45.54629      60.32412 11.75435       35.39741 61.09314 24.36217 43.54006 18.15825 17.55308       30.38483 
1 1 1 -14 18 25 o 71.80889 16.68100 81.60902       34.62458 106.4871      64.87033 71.69796       40.94473 77.23074 26.17813 66.38704 20.68160 10.84370       33.36200 
1 1 1 -14 18 26 o 73.33054 15.75500 108.1922       36.54117 22.56289      89.07652 125.5176       40.06770 57.87787 26.28181 88.78321 17.38236 -30.90534      31.51000 
1 1 1 -14 18 27 o 53.48468 15.29284 47.41512       37.59711 -53.00828     88.17258 69.73171       41.56522 45.75824 22.28069 61.21112 20.95365 -15.45287      30.58569 
1 1 1 -14 18 28 o 47.85778 15.19015 35.52754       39.66412 6.613561      81.84187 44.40364       45.34536 46.65632 22.40862 49.05923 20.51382 -2.402916      30.38031 
1 1 1 -14 20 1  o 449.6394 7.958387 2750.118       96.33138 2736.990      137.5634 2762.750       134.9408 448.5312 11.39008 450.7476 11.11799 -2.216370      15.91677 
1 1 1 -14 20 2  o 194.6549 7.803629 516.6707       40.71000 492.3071      59.66471 537.8936       55.68623 190.2444 11.64722 199.0654 10.38888 -8.821060      15.60726 
1 1 1 -14 20 3  o 260.9706 5.590563 897.0955       31.86813 962.0479      71.07520 880.7520       35.65277 266.4087 9.908008 255.5325 5.181598 10.87613       11.18113 
1 1 1 -14 20 4  o 80.72520 11.54850 95.59486       14.22213 83.87952      48.35280 96.70440       14.88037 76.81499 22.15485 84.63540 6.529475 -7.820404      23.09700 
1 1 1 -14 20 5  o 363.3439 5.030380 1776.844       47.86515 1809.604      77.60213 1756.728       60.81062 365.9079 7.876232 360.7800 6.259702 5.127899       10.06076 
1 1 1 -14 20 6  o 152.6407 6.684505 297.2813       19.70976 342.2208      52.27535 289.8342       21.28028 158.6915 12.23376 146.5898 5.391258 12.10172       13.36901 
1 1 1 -14 20 7  o 204.9689 6.006439 572.7043       26.75744 560.4760      58.73742 575.9064       30.05732 203.3031 10.72970 206.6347 5.402112 -3.331604      12.01288 
1 1 1 -14 20 8  o 235.4564 5.589806 753.5471       30.11753 741.2650      61.62934 757.4005       34.52030 233.9452 9.783402 236.9676 5.410061 -3.022400      11.17961 
1 1 1 -14 20 9  o 172.1126 5.707221 388.8967       23.94614 427.6924      45.63113 374.1523       28.13088 177.7265 9.535111 166.4987 6.274642 11.22772       11.41444 
1 1 1 -14 20 10 o 252.6978 4.995641 843.7808       31.71629 914.1812      57.09500 812.3610       38.14272 260.0206 8.154678 245.3751 5.772950 14.64555       9.991282 
1 1 1 -14 20 11 o 194.9900 5.585800 513.7249       27.36594 515.2672      48.37244 512.9989       33.18742 195.0524 9.210077 194.9276 6.322906 0.1247864      11.17160 
1 1 1 -14 20 12 o 132.3679 7.712851 241.4176       24.73903 230.1880      45.94900 246.0016       29.35727 129.8999 13.13663 134.8360 8.085864 -4.936142      15.42570 
1 1 1 -14 20 13 o 120.5692 8.112237 195.1398       24.49402 205.1109      44.02705 190.6702       29.47697 122.5442 13.34269 118.5942 9.230724 3.950005       16.22447 
1 1 1 -14 20 14 o 171.8350 6.445613 394.6424       28.44351 419.1853      48.75745 381.9811       35.01997 175.6586 10.30832 168.0114 7.740940 7.647293       12.89123 
1 1 1 -14 20 15 o 234.7896 5.733222 735.0552       35.16860 791.1683      58.05516 702.5264       44.20204 241.6303 8.922899 227.9489 7.201473 13.68140       11.46644 
1 1 1 -14 20 16 f 190.6748 7.254831 484.2558       35.97578 533.3123      60.33123 457.1874       44.81522 197.8024 11.32732 183.5472 9.067643 14.25528       14.50966 
1 1 1 -14 20 17 o 327.0395 7.953607 1449.575       70.04026 0.000000      0.000000 1449.575       70.04026 ?        ?        327.0395 7.953607 ?              ?        
1 1 1 -14 20 18 o 39.05257 13.41543 -85.69032      39.26876 -66.44361     69.94310 -94.54974      47.45364 46.11775 21.73319 31.98739 15.73415 14.13036       26.83086 
1 1 1 -14 20 19 o ?        ?        -567.4352      91.39615 -567.4352     91.39615 0.000000       0.000000 ?        ?        ?        ?        ?              ?        
1 1 1 -14 20 20 o 42.87837 21.44600 -261.3563      103.4677 -261.3563     103.4677 0.000000       0.000000 42.87837 21.44600 ?        ?        ?              ?        
1 1 1 -14 20 21 o 49.66661 15.99432 -39.22581      37.84777 35.24977      82.87067 -58.85432      42.54393 66.08292 27.68979 33.25030 16.01716 32.83261       31.98865 
1 1 1 -14 20 22 o 48.49518 15.37384 1.256242       36.31707 -40.46743     81.65794 11.54408       40.54799 51.35508 23.96981 45.63527 19.25794 5.719807       30.74768 
1 1 1 -14 20 23 o 92.44089 15.80305 143.3307       35.90791 127.2235      72.71541 148.5251       41.29399 84.10769 27.70129 100.7741 15.21790 -16.66640      31.60610 
1 1 1 -14 20 24 o 64.92668 17.33102 61.29113       35.59174 98.20742      77.00189 51.26125       40.13657 72.59947 27.94029 57.25389 20.51335 15.34558       34.66204 
1 1 1 -14 20 25 o 41.69551 14.18943 -27.34831      37.45512 -47.38185     86.26299 -22.69399      41.57901 47.18542 22.74951 36.20561 16.96525 10.97981       28.37887 
1 1 1 -14 20 26 o 40.02225 13.96532 -36.57577      39.35914 -15.09200     92.43433 -41.33368      43.49970 47.28675 22.97636 32.75775 15.88103 14.52900       27.93064 
1 1 1 -14 22 1  o 99.18382 17.40347 146.7287       46.36126 159.5132      63.88229 132.5028       67.38750 104.0284 23.37561 94.33927 25.78961 9.689102       34.80694 
1 1 1 -14 22 2  o 81.73145 13.58375 111.4760       19.32302 61.79970      64.56796 116.3627       20.25113 70.81504 25.92636 92.64787 8.117655 -21.83282      27.16749 
1 1 1 -14 22 3  o 153.5641 6.186921 333.4793       22.74097 289.1553      41.96602 351.9056       27.05810 145.7550 10.69279 161.3731 6.227056 -15.61815      12.37384 
1 1 1 -14 22 4  o 381.1200 5.074271 1964.374       51.86768 1963.180      76.82619 1965.374       70.31013 380.9383 7.489818 381.3018 6.848032 -0.3634949     10.14854 
1 1 1 -14 22 5  o 337.0305 4.860930 1537.704       43.80179 1514.147      65.70603 1556.546       58.76387 334.6214 7.292361 339.4397 6.429310 -4.818329      9.721860 
1 1 1 -14 22 6  o 362.0950 4.960487 1768.707       47.81483 1796.073      73.62076 1748.741       62.88256 364.4081 7.502895 359.7819 6.490940 4.626221       9.920974 
1 1 1 -14 22 7  o 93.03194 9.990655 127.4646       20.59771 106.3306      40.15023 135.0135       23.99606 86.24714 17.87579 99.81673 8.927979 -13.56960      19.98131 
1 1 1 -14 22 8  o 359.4836 5.000670 1734.996       47.72364 1816.595      74.70793 1678.743       62.02947 366.4683 7.570890 352.4990 6.535168 13.96924       10.00134 
1 1 1 -14 22 9  o 236.0163 5.402782 759.6267       32.75116 733.1030      54.83174 774.3382       40.83605 232.6095 8.754293 239.4231 6.334238 -6.813522      10.80556 
1 1 1 -14 22 10 o 346.6751 5.268013 1617.127       48.23487 1670.269      76.57534 1582.172       62.10427 351.2198 8.097045 342.1304 6.741343 9.089447       10.53603 
1 1 1 -14 22 11 o 146.9549 8.319004 292.2220       30.22009 300.8383      55.31147 288.5553       36.08158 148.1069 13.86936 145.8028 9.190438 2.304108       16.63801 
1 1 1 -14 22 12 o 269.0208 5.691953 964.1527       39.62841 1041.293      66.99997 922.6457       49.14679 276.9303 8.985055 261.1113 6.990142 15.81897       11.38391 
1 1 1 -14 22 13 o 115.5542 17.63700 185.6496       54.87741 185.6496      54.87741 0.000000       0.000000 115.5542 17.63700 ?        ?        ?              ?        
1 1 1 -14 22 14 o 79.97263 13.58891 102.7477       32.65106 20.98914      54.79269 147.7661       40.65844 56.30183 22.94301 103.6434 14.56886 -47.34159      27.17781 
1 1 1 -14 22 15 o 144.9348 9.986099 294.7456       37.63958 359.0854      63.96150 260.6614       46.55383 155.5323 15.27265 134.3372 12.86992 21.19514       19.97220 
1 1 1 -14 22 16 o 29.68275 14.93661 -240.5445      45.59085 -426.1125     84.78386 -165.0602      54.07417 ?        ?        29.68275 14.93661 ?              ?        
1 1 1 -14 22 17 o 258.1612 13.94818 911.9424       96.95986 911.9424      96.95986 0.000000       0.000000 258.1612 13.94818 ?        ?        ?              ?        
1 1 1 -14 22 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 22 19 o 56.55602 16.22551 28.67647       33.71801 56.63621      68.96668 19.89417       38.65245 65.64869 26.08978 47.46334 19.29746 18.18534       32.45102 
1 1 1 -14 22 20 o 66.88317 16.48548 67.52508       33.75512 57.66542      70.11599 70.49957       38.51166 66.28174 26.31735 67.48460 19.86156 -1.202866      32.97096 
1 1 1 -14 22 21 o 54.53664 15.85526 20.95976       33.48632 70.73578      66.29232 3.908201       38.80031 66.91829 25.87672 42.15499 18.32899 24.76329       31.71051 
1 1 1 -14 22 22 o 52.37184 15.20432 16.91194       40.84230 -79.43971     69.29049 68.21087       50.55896 40.91751 19.88423 63.82617 23.00658 -22.90866      30.40864 
1 1 1 -14 22 23 o 79.48815 16.02244 129.9089       39.68056 69.48274      70.97971 157.3787       47.85749 62.08627 25.78780 96.89004 19.02273 -34.80377      32.04489 
1 1 1 -14 22 24 o 59.27426 16.26513 72.27560       36.42181 77.10871      60.62916 69.54660       45.55851 59.59555 24.19167 58.95297 21.74813 0.6425858      32.53026 
1 1 1 -14 22 25 o 64.58116 15.37925 91.78766       32.44391 74.80840      47.04523 107.1864       44.80215 58.03631 21.95744 71.12601 21.53964 -13.08971      30.75850 
1 1 1 -14 24 1  o 140.7258 9.841844 271.9341       37.29354 271.9341      37.29354 0.000000       0.000000 140.7258 9.841844 ?        ?        ?              ?        
1 1 1 -14 24 2  o 257.0812 7.439302 892.9749       51.49748 0.000000      0.000000 892.9749       51.49748 ?        ?        257.0812 7.439302 ?              ?        
1 1 1 -14 24 3  o 253.0622 8.803197 866.2061       59.98616 866.2061      59.98616 0.000000       0.000000 253.0622 8.803197 ?        ?        ?              ?        
1 1 1 -14 24 4  o 149.2290 7.708373 302.8357       30.21906 300.4703      48.24727 304.3625       38.76463 148.6057 12.05741 149.8522 9.607030 -1.246521      15.41675 
1 1 1 -14 24 5  o 489.0265 6.227322 3247.654       81.74940 3356.642      121.2079 3156.704       110.7243 496.3702 9.068633 481.6828 8.536865 14.68735       12.45464 
1 1 1 -14 24 6  o 175.2379 6.731627 421.1439       30.30082 427.3347      51.29686 417.8260       37.55239 175.6601 10.84512 174.8156 7.977631 0.8444366      13.46325 
1 1 1 -14 24 7  o 183.1264 6.695432 451.7786       31.15862 497.7648      54.94558 429.9804       37.82938 189.1393 10.78866 177.1134 7.932214 12.02596       13.39086 
1 1 1 -14 24 8  o 67.35527 14.42407 66.95985       26.54108 66.97211      50.93559 66.95528       31.09628 67.64783 23.19528 67.06271 17.15210 0.5851288      28.84815 
1 1 1 -14 24 9  o 58.58134 23.37043 30.09375       55.53428 30.09375      55.53428 0.000000       0.000000 58.58134 23.37043 ?        ?        ?              ?        
1 1 1 -14 24 10 o 95.57980 24.79381 132.8901       64.35421 132.8901      64.35421 0.000000       0.000000 95.57980 24.79381 ?        ?        ?              ?        
1 1 1 -14 24 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 24 12 o 100.0596 27.94364 146.2558       78.17775 146.2558      78.17775 0.000000       0.000000 100.0596 27.94364 ?        ?        ?              ?        
1 1 1 -14 24 13 o 109.3785 22.46585 187.8340       63.95218 187.8340      63.95218 0.000000       0.000000 109.3785 22.46585 ?        ?        ?              ?        
1 1 1 -14 24 14 o 210.5074 7.299622 596.4887       40.49042 701.9678      66.03025 532.9235       51.25890 224.6247 10.91697 196.3902 9.693178 28.23451       14.59924 
1 1 1 -14 24 15 o 55.06804 15.71769 29.43780       35.42556 20.46385      58.24595 34.70630       44.62901 55.22975 23.18179 54.90632 21.23178 0.3234291      31.43539 
1 1 1 -14 24 16 o 54.93689 15.83967 17.35703       37.09216 67.62077      61.56601 -11.28368      46.47351 67.19354 25.18341 42.68024 19.21916 24.51331       31.67933 
1 1 1 -14 24 17 o 90.01273 14.59251 132.8631       34.37677 97.83217      58.48769 151.3524       42.49109 77.54985 24.79183 102.4756 15.39905 -24.92576      29.18502 
1 1 1 -14 24 18 o 62.03051 16.15450 55.97984       34.96673 74.29668      55.77014 44.11554       44.88462 67.66403 24.18724 56.39700 21.42077 11.26704       32.30900 
1 1 1 -14 24 19 o 44.56073 14.06489 -1.408741      34.45161 -14.60210     52.83803 8.348225       45.43874 43.60042 19.96732 45.52103 19.81388 -1.920616      28.12977 
1 1 1 -14 24 20 o 52.51771 15.15777 32.14491       35.87563 -1.189794     53.68921 59.03589       48.22165 45.43005 20.53870 59.60537 22.29784 -14.17532      30.31554 
1 1 1 -14 24 21 o 45.75565 14.46337 10.50943       35.76746 21.38871      56.42569 3.201667       46.24545 48.95979 21.66651 42.55151 19.16556 6.408279       28.92674 
1 1 1 -14 24 22 o 32.42201 11.25033 -57.81024      33.74889 -47.13604     46.21217 -70.00978      49.40380 33.03785 16.09634 31.80618 15.72219 1.231663       22.50065 
1 1 1 -14 26 1  o 64.08709 10.42682 60.79409       17.49207 57.53917      23.14926 65.12575       26.70509 62.27610 14.12913 65.89808 15.33760 -3.621975      20.85364 
1 1 1 -14 26 2  o 171.1478 5.370691 399.6666       24.67786 445.2672      36.00084 359.2474       33.89391 180.3925 7.411579 161.9031 7.774688 18.48938       10.74138 
1 1 1 -14 26 3  o 80.31500 10.89793 97.17258       22.73013 119.4890      31.27351 72.18202       33.09421 91.95983 12.62976 68.67018 17.76369 23.28965       21.79586 
1 1 1 -14 26 4  o 43.72140 12.27231 13.50607       23.08616 -10.01165     33.08044 35.83505       32.23354 36.20052 16.26622 51.24228 18.38066 -15.04175      24.54463 
1 1 1 -14 26 5  o 200.4843 5.365019 551.3539       28.92564 550.3113      41.94701 552.2991       39.94077 200.2080 7.781014 200.7605 7.388473 -0.5525360     10.73004 
1 1 1 -14 26 6  o 173.1530 6.139194 413.7165       28.40177 412.6719      42.85619 414.5345       37.92644 172.6939 9.216227 173.6120 8.112952 -0.9181061     12.27839 
1 1 1 -14 26 7  o 69.20728 12.33318 66.12408       24.91212 123.5565      39.29273 27.51999       32.21442 90.66960 16.70978 47.74494 18.14421 42.92466       24.66636 
1 1 1 -14 26 8  o 149.0979 6.935134 304.0200       26.88468 326.7912      44.84579 291.2451       33.58985 152.8570 10.89565 145.3388 8.583077 7.518158       13.87027 
1 1 1 -14 26 9  o 58.89093 14.17627 49.29036       26.78659 66.39620      41.82071 37.39079       34.88066 65.31319 20.97276 52.46867 19.07904 12.84452       28.35254 
1 1 1 -14 26 10 o 136.5199 8.150947 258.9228       29.70661 281.8670      45.72647 242.1673       39.07603 141.4633 12.00441 131.5765 11.02932 9.886795       16.30189 
1 1 1 -14 26 11 o 53.91964 14.84708 33.40648       30.01694 42.01440      50.09649 28.58510       37.49247 57.84874 22.45983 49.99054 19.42420 7.858204       29.69417 
1 1 1 -14 26 12 o 125.5054 16.02598 228.2766       54.15896 228.2766      54.15896 0.000000       0.000000 125.5054 16.02598 ?        ?        ?              ?        
1 1 1 -14 26 13 o 67.58299 15.97513 71.32389       33.17115 72.43545      56.80642 70.74877       40.86114 68.09908 24.40368 67.06690 20.62230 1.032181       31.95026 
1 1 1 -14 26 14 f 50.64171 14.64637 25.71974       30.87305 35.97965      50.35854 19.54147       39.07820 54.68466 22.10017 46.59875 19.22619 8.085907       29.29273 
1 1 1 -14 26 15 o 131.0883 9.585353 248.6918       33.61424 264.4908      51.04714 236.5964       44.66498 134.3231 14.11358 127.8534 12.97393 6.469727       19.17071 
1 1 1 -14 26 16 o 80.06012 14.65007 105.7384       32.17762 140.2844      48.95398 79.45890       42.69706 91.82056 20.33609 68.29969 21.09364 23.52087       29.30014 
1 1 1 -14 26 17 o 36.55893 12.33165 -39.31372      33.60593 -33.96780     49.55542 -43.86555      45.72702 38.08035 18.04963 35.03752 16.80741 3.042824       24.66330 
1 1 1 -14 26 18 o 67.30096 15.74472 86.88904       34.43748 110.3141      48.21213 62.48721       49.20700 76.20973 22.16386 58.39219 22.36846 17.81755       31.48944 
1 1 1 -14 26 19 o 41.18180 13.23978 2.323947       33.14451 25.02596      44.77526 -25.19501      49.29717 45.19018 19.66928 37.17342 17.72813 8.016762       26.47956 
1 1 1 -14 26 20 o 46.36789 13.93718 35.15377       30.26550 35.22191      40.26590 35.06528       45.88654 46.10721 19.30950 46.62857 20.10280 -0.5213585     27.87435 
1 1 1 -14 28 1  o 29.68093 9.517956 -9.822228      17.02678 3.099591      23.02108 -25.42745      25.29874 32.67498 14.16257 26.68689 12.71957 5.988083       19.03591 
1 1 1 -14 28 2  o 110.2325 6.789647 175.4108       19.74891 188.3802      26.17678 158.2759       30.08830 115.7383 8.399545 104.7267 10.66981 11.01157       13.57929 
1 1 1 -14 28 3  o 109.1312 7.251443 171.3926       20.93940 177.8302      27.57108 162.6187       32.18757 112.2292 9.123569 106.0332 11.27361 6.195938       14.50289 
1 1 1 -14 28 4  o 107.2792 7.826210 170.7950       21.62901 213.8376      29.70876 122.2507       31.55033 123.3321 8.945918 91.22622 12.84402 32.10589       15.65242 
1 1 1 -14 28 5  o 39.81219 11.34822 11.22426       20.28184 31.32036      27.69589 -12.01547      29.78345 46.72604 16.99936 32.89835 15.03830 13.82769       22.69645 
1 1 1 -14 28 6  o 47.45011 12.13370 30.90222       20.95842 46.41546      28.82607 13.50497       30.52632 54.23055 17.41196 40.66968 16.90356 13.56086       24.26740 
1 1 1 -14 28 7  o 124.2965 7.266297 218.9787       24.28731 214.7831      33.37797 223.6999       35.40662 123.1620 10.06468 125.4310 10.48325 -2.269043      14.53259 
1 1 1 -14 28 8  o 77.70398 11.64470 94.98913       23.60767 90.09161      32.98192 100.1344       33.80589 75.45757 16.67657 79.95039 16.25695 -4.492821      23.28941 
1 1 1 -14 28 9  o 83.43010 11.20310 107.8658       24.42443 135.9256      35.22976 81.89686       33.89181 95.84753 13.65040 71.01267 17.76808 24.83486       22.40620 
1 1 1 -14 28 10 o 41.98118 12.75774 9.552259       26.17745 18.97783      37.17097 0.2777734      36.87185 44.60897 18.60612 39.35339 17.46001 5.255581       25.51548 
1 1 1 -14 28 11 o 31.28136 10.55131 -48.92647      26.11407 -94.99277     37.78249 -6.791483      36.13436 25.42482 12.75149 37.13790 16.81429 -11.71308      21.10262 
1 1 1 -14 28 12 o 58.84915 14.16044 58.02412       27.55927 79.71932      40.44630 39.22221       37.65285 66.96146 20.50530 50.73684 19.53470 16.22462       28.32088 
1 1 1 -14 28 13 o 49.64764 12.66991 21.38461       28.24726 -45.49240     41.13393 81.06717       38.85845 32.17174 15.55955 67.12355 20.00018 -34.95181      25.33983 
1 1 1 -14 28 14 o 46.30629 13.30416 22.88792       28.96204 -16.95341     42.41945 57.67717       39.63881 36.62175 17.15247 55.99084 20.34197 -19.36909      26.60832 
1 1 1 -14 28 15 o 46.88688 13.48960 31.08400       28.83985 60.66264      40.19614 -0.2959755     41.40201 55.35162 20.42645 38.42214 17.62491 16.92948       26.97920 
1 1 1 -14 28 16 o 43.90448 13.24464 25.66120       28.55083 43.13857      39.17030 5.851076       41.70252 48.53766 19.53490 39.27131 17.89049 9.266350       26.48928 
1 1 1 -14 30 6  o 39.46978 11.81857 18.84005       21.65278 18.76670      29.23844 18.92912       32.22180 39.06110 16.41137 39.87847 17.01122 -0.8173714     23.63714 
1 1 1 -14 30 7  o 40.17668 11.85480 19.36105       22.05412 34.00596      30.85700 4.067992       31.53243 44.84626 17.56717 35.50710 15.92294 9.339161       23.70961 
1 1 1 -14 30 8  o 48.80588 11.76400 37.01949       22.31997 74.75595      31.23047 -2.379269      31.91092 63.52307 17.63384 34.08870 15.57609 29.43437       23.52800 
1 1 1 -13 1  1  f 365.8528 4.167747 1801.427       41.03694 1768.242      56.96128 1837.236       59.17179 362.3531 5.838005 369.3526 5.949633 -6.999542      8.335493 
1 1 1 -13 1  2  o 206.7907 3.013629 575.7677       16.77918 578.1105      23.89856 573.4901       23.56367 207.2054 4.283385 206.3760 4.240336 0.8294373      6.027258 
1 1 1 -13 1  3  o 754.6812 8.034656 7673.040       163.2555 7606.609      228.8718 7741.852       232.9382 751.3588 11.31258 758.0035 11.41264 -6.644714      16.06931 
1 1 1 -13 1  4  o 79.55769 4.773450 85.12587       10.18531 75.10586      14.11626 96.00726       14.71052 74.67966 7.019950 84.43572 6.470210 -9.756058      9.546901 
1 1 1 -13 1  5  o 793.2492 8.419429 8474.745       179.7825 8597.602      258.0473 8358.861       250.6171 798.8295 11.99670 787.6689 11.81636 11.16064       16.83886 
1 1 1 -13 1  6  o 788.7180 8.359092 8377.732       177.4703 8256.098      247.2500 8506.994       254.8859 782.8195 11.72982 794.6165 11.91255 -11.79700      16.71818 
1 1 1 -13 1  7  o 619.3114 6.598701 5164.492       110.0147 5096.440      153.6009 5236.176       157.6465 615.1252 9.273571 623.4977 9.390010 -8.372498      13.19740 
1 1 1 -13 1  8  o 715.4391 7.598601 6895.301       146.3827 6888.994      206.9668 6901.614       207.0659 715.1116 10.74839 715.7666 10.74370 -0.6549683     15.19720 
1 1 1 -13 1  9  o 737.2613 7.836497 7321.187       155.5383 7407.452      222.6908 7239.021       217.3358 741.4974 11.15345 733.0251 11.01105 8.472290       15.67299 
1 1 1 -13 1  10 o 1175.864 12.43893 18639.17       393.6509 18280.03      546.4552 19026.59       567.5571 1164.118 17.43308 1187.610 17.74811 -23.49231      24.87786 
1 1 1 -13 1  11 o 1182.383 12.50643 18857.71       398.0751 19131.02      570.7823 18598.89       555.4570 1190.704 17.80259 1174.062 17.57017 16.64221       25.01286 
1 1 1 -13 1  12 o 1041.252 15.57847 14627.66       436.7813 14627.66      436.7813 0.000000       0.000000 1041.252 15.57847 ?        ?        ?              ?        
1 1 1 -13 1  13 o 335.7386 5.387245 1518.138       48.70252 0.000000      0.000000 1518.138       48.70252 ?        ?        335.7386 5.387245 ?              ?        
1 1 1 -13 1  14 o 40.54599 7.313721 23.25176       8.580820 10.70594      12.49363 34.45417       11.80579 31.32731 11.41436 49.76467 9.147374 -18.43736      14.62744 
1 1 1 -13 1  15 o 473.1013 5.138206 3017.742       65.44868 2976.178      91.73189 3060.839       93.40769 469.7854 7.251659 476.4171 7.281350 -6.631683      10.27641 
1 1 1 -13 1  16 o 274.1012 3.288679 1011.044       24.23707 1037.519      35.41859 987.7283       33.23802 277.4661 4.740650 270.7363 4.559373 6.729797       6.577359 
1 1 1 -13 1  17 o 348.2523 3.949912 1633.832       37.00695 1672.773      53.69588 1598.601       51.07397 352.1931 5.662090 344.3116 5.508896 7.881470       7.899823 
1 1 1 -13 1  18 o 181.3750 2.974230 442.6228       14.50221 457.0831      21.24127 429.9974       19.84798 184.1406 4.283982 178.6094 4.126945 5.531174       5.948460 
1 1 1 -13 1  19 o 236.6035 3.258558 754.2851       20.75280 774.7744      29.83160 735.0704       28.88888 239.7139 4.621681 233.4930 4.594873 6.220963       6.517116 
1 1 1 -13 1  20 o 368.0465 4.296085 1824.153       42.51308 1880.136      62.15960 1774.951       58.27353 373.3310 6.183450 362.7621 5.965764 10.56888       8.592170 
1 1 1 -13 1  21 o 173.8482 3.687188 407.2738       17.25292 410.5518      24.80761 404.2031       24.01052 174.5231 5.278965 173.1733 5.149169 1.349716       7.374376 
1 1 1 -13 1  22 o 278.3937 3.794452 1044.533       28.43295 1045.982      40.79824 1043.166       39.64698 278.5772 5.438917 278.2101 5.292415 0.3670959      7.588904 
1 1 1 -13 1  23 o 213.9874 3.980876 616.4781       22.90377 629.3519      33.45070 605.1158       31.42572 216.0832 5.749112 211.8917 5.507924 4.191528       7.961753 
1 1 1 -13 1  24 f 403.4451 5.778084 2178.881       58.95056 2251.651      103.6861 2144.122       71.65937 408.1931 9.433470 398.6971 6.674928 9.496002       11.55617 
1 1 1 -13 1  25 o 119.6742 6.427156 192.9728       20.15135 198.0405      32.68726 189.8660       25.59346 120.8597 10.04416 118.4887 8.021738 2.370987       12.85431 
1 1 1 -13 1  26 o 248.5117 5.022274 841.0315       32.57503 809.9567      52.50647 860.4763       41.53466 244.6150 7.971617 252.4083 6.111159 -7.793381      10.04455 
1 1 1 -13 1  27 o 263.1069 6.649050 939.6862       47.07943 975.7613      67.93549 906.3525       65.30321 267.9568 9.415614 258.2570 9.390722 9.699738       13.29810 
1 1 1 -13 1  28 o 41.27271 13.85702 -56.45959      42.13110 -22.52321     60.33905 -88.74546      58.85346 45.81707 21.11296 36.72836 17.95303 9.088703       27.71404 
1 1 1 -13 1  29 o 43.26903 14.26513 -59.03014      44.15116 -143.5165     62.42892 25.51175       62.44942 32.87864 16.47584 53.65942 23.29210 -20.78078      28.53025 
1 1 1 -13 1  30 o 66.25832 15.23943 57.89276       37.18969 119.0885      51.93773 -6.497591      53.27615 85.91609 22.26752 46.60055 20.81151 39.31554       30.47886 
1 1 1 -13 1  31 o 57.47383 15.49899 47.94859       33.20404 46.76086      44.88536 49.38412       49.34619 56.70683 21.44916 58.24083 22.37873 -1.534004      30.99797 
1 1 1 -13 1  32 o 82.17664 15.24853 120.7090       34.09142 110.5308      46.13186 132.9557       50.60282 78.50285 21.28740 85.85042 21.83843 -7.347572      30.49706 
1 1 1 -13 1  33 o 45.73667 14.28057 28.85600       34.39623 34.57469      43.80257 19.65793       55.55204 46.49869 19.83459 44.97466 20.55061 1.524036       28.56114 
1 1 1 -13 3  1  o 613.2281 6.595875 5067.218       108.9124 5061.584      153.8596 5072.876       154.1916 612.8868 9.323113 613.5695 9.332835 -0.6826782     13.19175 
1 1 1 -13 3  2  o 423.8770 4.699899 2419.813       53.64273 2423.244      75.96094 2416.400       75.76399 424.1767 6.650589 423.5774 6.642731 0.5992737      9.399798 
1 1 1 -13 3  3  o 1409.087 14.90096 26811.50       565.3736 26807.32      799.3457 26815.68       799.7725 1408.978 21.06915 1409.196 21.07713 -0.2182617     29.80192 
1 1 1 -13 3  4  o 1022.932 10.82540 14108.28       298.1739 14148.50      422.8489 14068.49       420.5239 1024.380 15.32995 1021.483 15.28889 2.896851       21.65081 
1 1 1 -13 3  5  o 773.9558 8.214441 8070.820       171.1890 8058.221      241.7031 8083.502       242.4946 773.3502 11.60707 774.5614 11.62687 -1.211182      16.42888 
1 1 1 -13 3  6  o 1423.236 15.03265 27307.89       575.5974 26638.11      794.2813 28048.63       835.3024 1404.922 20.99611 1441.551 21.51941 -36.62903      30.06529 
1 1 1 -13 3  7  o 1730.611 18.27625 40466.84       851.6036 40777.32      1213.321 40165.36       1195.574 1737.130 25.93940 1724.091 25.75329 13.03906       36.55249 
1 1 1 -13 3  8  o 446.1508 4.870374 2679.792       58.49635 2643.657      81.67760 2717.844       83.81653 443.0647 6.846244 449.2369 6.929005 -6.172180      9.740747 
1 1 1 -13 3  9  o 810.8916 8.597589 8856.642       187.6544 9013.130      269.9050 8710.218       261.0817 817.8155 12.25666 803.9677 12.06020 13.84784       17.19518 
1 1 1 -13 3  10 o 861.4604 9.124552 9999.492       211.5965 9876.738      295.1051 10129.38       303.5592 856.0284 12.80280 866.8924 13.00454 -10.86401      18.24910 
1 1 1 -13 3  11 o 685.2110 7.301400 6324.819       134.6783 6255.208      187.9100 6398.347       193.1247 681.3399 10.24242 689.0821 10.40839 -7.742188      14.60280 
1 1 1 -13 3  12 o 497.9120 7.605607 3339.774       101.9694 3339.774      101.9694 0.000000       0.000000 497.9120 7.605607 ?        ?        ?              ?        
1 1 1 -13 3  13 f 443.3969 4.856071 2648.766       57.97752 2645.928      81.86890 2651.621       82.11685 443.1589 6.860820 443.6348 6.874217 -0.4758911     9.712143 
1 1 1 -13 3  14 o 376.0322 4.224218 1903.541       42.71983 1941.368      62.20378 1869.773       58.77208 379.5582 6.086323 372.5062 5.859414 7.052032       8.448436 
1 1 1 -13 3  15 o 537.7132 8.167430 3901.101       118.2550 0.000000      0.000000 3901.101       118.2550 ?        ?        537.7132 8.167430 ?              ?        
1 1 1 -13 3  16 o 86.39204 4.611906 101.6616       10.21010 97.47740      17.15278 103.9577       12.70632 84.97343 7.496661 87.81066 5.373897 -2.837227      9.223811 
1 1 1 -13 3  17 o 234.5522 3.158842 738.0128       19.81263 770.1227      30.09167 713.4412       26.32347 239.0221 4.675467 230.0823 4.248900 8.939728       6.317685 
1 1 1 -13 3  18 o 314.4633 3.725892 1333.631       31.52710 1334.372      45.44315 1332.943       43.77570 314.5375 5.365530 314.3891 5.171091 0.1483459      7.451785 
1 1 1 -13 3  19 o 277.3402 3.589197 1037.474       26.73147 1034.283      39.23916 1040.237       36.51561 276.9253 5.262276 277.7552 4.882397 -0.8298340     7.178394 
1 1 1 -13 3  20 o 433.0225 4.890677 2530.087       56.99667 2539.304      81.96796 2521.459       79.30872 433.7711 7.017787 432.2739 6.813630 1.497192       9.781354 
1 1 1 -13 3  21 f 442.6411 4.991254 2641.956       59.43906 2677.634      86.09909 2609.470       82.15836 445.4788 7.177747 439.8034 6.937609 5.675385       9.982509 
1 1 1 -13 3  22 o 423.8001 5.855393 2422.877       63.33706 2427.705      108.5367 2420.384       77.99417 423.9549 9.507661 423.6453 6.837170 0.3096313      11.71079 
1 1 1 -13 3  23 o 77.35909 9.122177 81.23011       18.15657 87.31663      29.26727 77.42210       23.14978 79.05857 14.27357 75.65960 11.36317 3.398972       18.24435 
1 1 1 -13 3  24 o 182.2516 4.660241 445.7234       22.36240 459.9134      35.82944 436.6684       28.62143 184.5738 7.209192 179.9293 5.907531 4.644470       9.320481 
1 1 1 -13 3  25 o 55.94321 11.28355 40.43448       19.20228 68.55151      28.56566 17.25487       25.93657 69.39031 15.66015 42.49612 16.24911 26.89419       22.56709 
1 1 1 -13 3  26 o 143.6082 6.335297 281.0292       24.28447 266.3852      36.26936 292.9291       32.69494 140.1270 9.612462 147.0895 8.254971 -6.962479      12.67059 
1 1 1 -13 3  27 o 196.2700 6.673990 517.2899       34.65097 555.9832      55.16233 492.0707       44.53388 202.1199 10.13562 190.4200 8.685495 11.69991       13.34798 
1 1 1 -13 3  28 o 35.19382 12.27376 -111.8254      39.62488 -111.1396     64.00069 -112.2516      50.45912 38.52324 18.80697 31.86440 15.77589 6.658838       24.54752 
1 1 1 -13 3  29 o 56.73113 15.97065 29.29868       39.43483 65.23252      53.48425 -13.50692      58.37466 66.00233 23.67648 47.45994 21.43995 18.54239       31.94130 
1 1 1 -13 3  30 o 191.9614 7.840560 514.5883       40.28655 511.8311      54.08230 518.0256       60.38489 191.7618 10.47393 192.1610 11.67023 -0.3992004     15.68112 
1 1 1 -13 3  31 o 74.81460 15.95990 93.59051       34.91134 75.20032      46.32187 117.7718       53.11694 67.02757 22.11117 82.60162 23.02108 -15.57405      31.91980 
1 1 1 -13 3  32 o 73.70856 15.61103 96.23547       34.46254 62.40250      44.94888 144.4889       53.68004 59.13167 21.63439 88.28546 22.51157 -29.15379      31.22207 
1 1 1 -13 3  33 o 47.62176 14.88517 35.94890       37.54147 37.17028      54.04031 34.80967       52.19125 47.95655 21.21400 47.28696 20.88634 0.6695976      29.77034 
1 1 1 -13 5  1  o 534.1907 5.811792 3845.123       83.58910 3883.095      119.2049 3808.388       117.2451 536.7832 8.247300 531.5981 8.190833 5.185120       11.62358 
1 1 1 -13 5  2  o 186.0274 2.959517 465.3436       14.81337 442.9031      20.53492 489.6914       21.38977 181.3578 4.205072 190.6970 4.165613 -9.339218      5.919034 
1 1 1 -13 5  3  o 813.0491 8.645128 8911.070       189.2601 8875.720      266.4543 8947.064       268.8705 811.4244 12.19527 814.6739 12.25677 -3.249512      17.29026 
1 1 1 -13 5  4  o 386.1046 4.314610 2007.535       44.85176 2000.409      62.90257 2014.905       63.97085 385.4084 6.061273 386.8008 6.142021 -1.392456      8.629221 
1 1 1 -13 5  5  o 417.3276 4.590930 2341.560       51.52534 2270.618      70.76157 2421.626       75.17413 410.6123 6.400032 424.0429 6.583777 -13.43063      9.181859 
1 1 1 -13 5  6  o 758.8208 8.061018 7759.179       164.7071 7762.207      233.0330 7756.156       232.8292 758.9685 11.40277 758.6730 11.39723 0.2954712      16.12204 
1 1 1 -13 5  7  o 557.5550 5.991856 4183.619       89.88623 4277.602      130.2285 4098.108       124.2209 563.5264 8.582390 551.5836 8.363728 11.94287       11.98371 
1 1 1 -13 5  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5  9  o 636.3754 6.794400 5453.764       116.3919 5555.535      167.0731 5357.798       162.2393 642.1384 9.662611 630.6122 9.554549 11.52618       13.58880 
1 1 1 -13 5  10 o 309.1723 3.569110 1278.643       29.53845 1213.323      39.31636 1363.294       44.75803 300.1695 4.864333 318.1751 5.224218 -18.00562      7.138220 
1 1 1 -13 5  11 o 312.5967 3.597939 1314.029       30.24674 1279.481      41.55013 1352.975       44.11577 308.2336 5.006209 316.9597 5.168998 -8.726105      7.195879 
1 1 1 -13 5  12 o 288.5063 3.415826 1119.042       26.50630 1080.516      36.44701 1162.294       38.61829 283.2458 4.778759 293.7668 4.882102 -10.52103      6.831652 
1 1 1 -13 5  13 o 437.7359 6.803876 2582.554       80.19586 0.000000      0.000000 2582.554       80.19586 ?        ?        437.7359 6.803876 ?              ?        
1 1 1 -13 5  14 o 216.3262 3.138901 630.6135       18.22433 628.1313      26.85307 632.7329       24.81374 215.9260 4.618549 216.7264 4.252037 -0.8003845     6.277803 
1 1 1 -13 5  15 o 640.8250 6.896264 5550.628       118.9803 5474.708      166.5549 5629.745       170.0259 636.3601 9.720106 645.2897 9.785363 -8.929626      13.79253 
1 1 1 -13 5  16 o 344.9391 4.069352 1591.929       37.38043 1687.370      57.97083 1524.003       48.90556 353.6837 6.087108 336.1945 5.402370 17.48926       8.138703 
1 1 1 -13 5  17 o 301.0697 4.979164 1222.420       40.36518 0.000000      0.000000 1222.420       40.36518 ?        ?        301.0697 4.979164 ?              ?        
1 1 1 -13 5  18 o 83.13607 5.959707 87.06834       11.94153 108.0776      23.76450 79.97151       13.81194 89.31256 9.881723 76.95958 6.665132 12.35298       11.91941 
1 1 1 -13 5  19 o 40.76795 9.110977 23.39728       13.66891 -54.67742     35.19906 37.26187       14.83301 30.05869 14.50228 51.47721 11.03284 -21.41853      18.22195 
1 1 1 -13 5  20 o 65.83474 9.445343 54.63414       14.40209 74.92195      29.43373 48.24782       16.51402 72.87106 15.47838 58.79842 10.82949 14.07263       18.89069 
1 1 1 -13 5  21 o 71.19711 9.238735 68.30151       16.03316 74.66263      29.20446 65.55712       19.18246 72.76518 15.38628 69.62904 10.23129 3.136147       18.47747 
1 1 1 -13 5  22 f 193.7101 4.422895 509.1690       21.89401 495.2858      37.14459 516.5602       27.10251 191.6314 7.198557 195.7887 5.140893 -4.157257      8.845790 
1 1 1 -13 5  23 o 273.8740 4.491663 1016.247       31.92940 992.5955      52.38433 1030.229       40.27578 271.2711 7.171574 276.4770 5.410052 -5.205963      8.983326 
1 1 1 -13 5  24 o 114.7178 6.334641 181.8295       18.92809 161.5480      29.91301 195.3730       24.44421 109.1867 10.17436 120.2490 7.549380 -11.06226      12.66928 
1 1 1 -13 5  25 o 92.65412 7.773169 116.6488       19.31684 117.3517      28.65030 116.0629       26.15605 92.87140 11.45681 92.43684 10.50857 0.4345551      15.54634 
1 1 1 -13 5  26 o 232.3361 5.215312 733.3474       32.08567 711.5220      49.73713 748.9045       41.99178 229.2591 8.056952 235.4131 6.624456 -6.154083      10.43062 
1 1 1 -13 5  27 o 67.83980 15.47628 63.88427       32.18987 61.27119      46.28151 66.33287       44.80125 66.94460 22.10239 68.73499 21.66899 -1.790382      30.95255 
1 1 1 -13 5  28 o 660.9995 9.114640 6029.490       158.6206 5454.979      244.7260 6445.696       208.2980 632.6555 14.36579 689.3436 11.22189 -56.68817      18.22928 
1 1 1 -13 5  29 o 39.88673 13.08030 -40.26633      33.92515 -10.11224     50.09814 -65.80512      46.10505 45.53260 20.26901 34.24086 16.53917 11.29175       26.16060 
1 1 1 -13 5  30 o 75.69801 13.77096 87.69987       28.14749 102.9900      42.66553 75.91647       37.45469 81.37742 19.68545 70.01860 19.26241 11.35882       27.54192 
1 1 1 -13 5  31 o 50.77586 15.29561 22.26019       35.34225 17.64803      43.90884 30.74573       59.55791 47.07218 19.96173 54.47953 23.18085 -7.407356      30.59122 
1 1 1 -13 5  32 o 81.56200 15.94201 136.3969       38.96904 169.8772      50.99390 89.39819       60.41796 97.97608 20.00584 65.14790 24.82654 32.82818       31.88402 
1 1 1 -13 7  1  o 345.6306 4.022945 1609.786       37.43972 1616.818      53.13168 1602.851       52.76575 346.3798 5.696625 344.8813 5.681972 1.498444       8.045890 
1 1 1 -13 7  2  o 474.9832 5.217527 3039.223       66.70738 3097.320      95.89911 2984.760       92.85165 479.3753 7.429431 470.5912 7.327611 8.784058       10.43505 
1 1 1 -13 7  3  o 859.5255 9.149924 9963.698       211.6335 9763.762      293.0869 10181.52       305.9151 850.5466 12.79720 868.5043 13.08114 -17.95764      18.29985 
1 1 1 -13 7  4  o 588.5411 6.328454 4667.510       100.2799 4628.857      140.6158 4707.512       143.0499 586.0645 8.910565 591.0178 8.988836 -4.953247      12.65691 
1 1 1 -13 7  5  o 249.0110 3.192475 834.7138       21.39787 845.1680      30.75272 824.9023       29.79244 250.5213 4.558851 247.5007 4.470399 3.020676       6.384950 
1 1 1 -13 7  6  o 291.9140 3.495164 1144.331       27.41259 1194.237      40.41589 1101.811       37.30519 297.7903 5.040321 286.0377 4.843536 11.75262       6.990327 
1 1 1 -13 7  7  o 336.6841 3.842360 1526.351       34.82995 1544.289      49.72563 1509.073       48.80135 338.6253 5.453528 334.7428 5.414236 3.882446       7.684720 
1 1 1 -13 7  8  o 648.6208 6.915228 5670.123       120.7730 5652.048      170.0968 5688.500       171.5097 647.5801 9.754818 649.6614 9.804338 -2.081299      13.83046 
1 1 1 -13 7  9  o 210.4802 2.821624 596.3232       15.98828 581.6461      22.35569 611.6901       22.87493 207.8302 3.994809 213.1303 3.985944 -5.300079      5.643248 
1 1 1 -13 7  10 o 174.4794 3.695887 409.9533       17.36386 0.000000      0.000000 409.9533       17.36386 ?        ?        174.4794 3.695887 ?              ?        
1 1 1 -13 7  11 o 112.6675 3.188011 172.3666       9.568003 159.7701      14.30745 182.5575       12.86897 108.9094 4.878804 116.4256 4.104990 -7.516174      6.376023 
1 1 1 -13 7  12 o 470.8959 7.284104 2990.059       92.36012 2990.059      92.36012 0.000000       0.000000 470.8959 7.284104 ?        ?        ?              ?        
1 1 1 -13 7  13 o 102.7274 4.160256 142.2505       11.10869 142.1940      18.27207 142.2836       13.99136 102.6960 6.607710 102.7588 5.056590 -0.6277466E-01 8.320513 
1 1 1 -13 7  14 o 103.6828 4.616115 145.7350       12.44032 142.2441      20.33598 147.8227       15.72615 102.6579 7.356805 104.7077 5.577767 -2.049789      9.232230 
1 1 1 -13 7  15 o 94.87486 5.092893 122.1375       12.54931 119.1023      20.54692 123.9434       15.84882 93.89526 8.126803 95.85446 6.140464 -1.959206      10.18579 
1 1 1 -13 7  16 o 35.90062 11.19153 -3.427722      14.04980 7.511513      40.33189 -4.938550      14.98865 46.56805 19.39859 25.23318 11.16673 21.33487       22.38306 
1 1 1 -13 7  17 o 159.8791 5.705742 331.5947       17.75076 366.0711      46.22488 325.6314       19.22473 164.3398 10.44599 155.4185 4.593823 8.921280       11.41148 
1 1 1 -13 7  18 o 140.0988 6.817400 287.6903       17.40136 236.1950      45.42689 296.5461       18.83831 131.8739 12.79295 148.3236 4.716809 -16.44965      13.63480 
1 1 1 -13 7  19 o 322.8412 5.159981 1398.930       39.26041 1422.580      77.55765 1390.781       45.52404 324.4792 8.876758 321.2033 5.263533 3.275909       10.31996 
1 1 1 -13 7  20 f 459.7269 6.502843 2796.641       72.83687 2994.412      138.1069 2720.436       85.72871 470.4196 10.90302 449.0341 7.090283 21.38550       13.00569 
1 1 1 -13 7  21 o 675.0356 8.941093 6193.866       153.8362 6094.010      263.0500 6245.769       189.6485 670.2580 14.57514 679.8133 10.36040 -9.555298      17.88219 
1 1 1 -13 7  22 o 162.2411 5.278080 364.2450       21.85119 324.7180      36.26191 386.7813       27.38078 155.0953 8.682978 169.3868 6.003200 -14.29153      10.55616 
1 1 1 -13 7  23 o 369.9317 5.474879 1819.861       50.82157 1923.984      91.20743 1772.976       61.20333 377.3101 8.977355 362.5532 6.269313 14.75690       10.94976 
1 1 1 -13 7  24 o 114.9209 6.836205 174.6535       20.50529 196.2391      34.19827 162.5368       25.62201 120.2579 10.56105 109.5839 8.683261 10.67400       13.67241 
1 1 1 -13 7  25 o 41.69501 11.92638 9.914571       21.19171 -4.091860     32.70870 20.04735       27.82043 38.81491 16.85267 44.57511 16.88021 -5.760197      23.85276 
1 1 1 -13 7  26 o 331.0905 5.541133 1505.654       48.37555 1372.222      74.50452 1602.909       63.60726 317.9874 8.701404 344.1935 6.863105 -26.20605      11.08227 
1 1 1 -13 7  27 o 62.63783 15.98780 64.16171       34.96577 51.43178      50.52441 75.86273       48.43958 58.49846 22.59906 66.77721 22.62127 -8.278748      31.97561 
1 1 1 -13 7  28 o 42.17065 13.82915 -85.09818      40.87702 15.31353      60.18540 -171.0801      55.69326 54.91752 23.33341 29.42377 14.85036 25.49376       27.65829 
1 1 1 -13 7  29 o 40.57220 12.91230 -11.74950      29.79002 -2.709538     40.98163 -21.87827      43.37946 42.04423 18.54246 39.10018 17.97462 2.944054       25.82460 
1 1 1 -13 7  30 o 120.7274 9.387188 210.1157       30.42832 230.6286      43.55466 190.5585       42.52798 126.7888 12.75764 114.6661 13.77389 12.12276       18.77438 
1 1 1 -13 7  31 o 41.46026 12.95184 -9.340979      31.32876 -60.19572     47.58947 29.55466       41.61938 33.90813 16.47817 49.01239 19.98676 -15.10425      25.90368 
1 1 1 -13 7  32 o 47.86681 14.40009 35.04317       32.80098 22.84026      51.27831 43.49420       42.67332 45.84713 20.45046 49.88650 20.27879 -4.039364      28.80019 
1 1 1 -13 9  1  o 299.4867 3.666903 1208.611       29.56182 1194.276      41.21539 1223.799       42.42428 297.6613 5.142255 301.3121 5.228951 -3.650787      7.333807 
1 1 1 -13 9  2  o 292.1694 3.564541 1150.012       28.02745 1142.931      38.94257 1157.622       40.36953 291.2402 4.965807 293.0985 5.115131 -1.858246      7.129082 
1 1 1 -13 9  3  o 99.61496 3.422542 131.7374       9.104239 118.8351      11.97185 149.4321       14.02006 93.91717 4.734050 105.3127 4.944080 -11.39558      6.845083 
1 1 1 -13 9  4  o 213.8609 4.193076 616.0854       24.14613 0.000000      0.000000 616.0854       24.14613 ?        ?        213.8609 4.193076 ?              ?        
1 1 1 -13 9  5  o 257.7102 3.225818 883.3702       22.18922 814.3857      29.13223 978.6915       34.24462 245.8828 4.400096 269.5377 4.718343 -23.65486      6.451636 
1 1 1 -13 9  6  o 78.43858 4.002586 82.97118       7.928892 83.10760      9.666280 82.69066       13.86203 78.54779 4.570272 78.32938 6.572320 0.2184143      8.005172 
1 1 1 -13 9  7  o 398.4147 4.429834 2139.033       47.52177 2126.757      66.88389 2151.549       67.53268 397.2610 6.252622 399.5684 6.276817 -2.307373      8.859668 
1 1 1 -13 9  8  o 146.2402 2.764029 288.8161       10.82531 280.0114      16.03056 296.1971       14.67739 144.1824 4.129077 148.2980 3.675615 -4.115616      5.528058 
1 1 1 -13 9  9  o 396.0535 4.401185 2112.568       46.88174 2148.301      68.19332 2080.543       64.55756 399.2177 6.343787 392.8893 6.102301 6.328491       8.802369 
1 1 1 -13 9  10 o 196.3887 2.931276 516.0923       15.26578 538.8406      23.97911 500.5892       19.79558 199.9955 4.452762 192.7819 3.813455 7.213577       5.862553 
1 1 1 -13 9  11 o 107.7841 3.647178 154.6299       10.19808 163.6165      17.07739 149.6489       12.71397 110.1759 5.756405 105.3922 4.480115 4.783722       7.294356 
1 1 1 -13 9  12 o 132.3352 4.916674 227.0526       13.99394 251.8626      32.13394 221.2462       15.54546 136.5375 8.740347 128.1329 4.505671 8.404556       9.833348 
1 1 1 -13 9  13 o 235.1930 4.311642 733.0709       24.23159 774.4363      47.28628 718.3400       28.21826 239.5169 7.331884 230.8691 4.539217 8.647766       8.623283 
1 1 1 -13 9  14 o 202.6947 4.336004 529.7228       20.42236 603.4671      42.31913 507.3353       23.31714 211.3798 7.435153 194.0096 4.463431 17.37021       8.672008 
1 1 1 -13 9  15 o 47.83715 10.39345 34.27596       15.42886 -4.033844     33.46714 44.61570       17.38675 39.40725 17.07835 56.26706 11.85010 -16.85981      20.78689 
1 1 1 -13 9  16 o 91.23833 10.19465 128.1185       17.24818 98.16361      41.78486 134.2709       18.93681 82.77859 19.13019 99.69806 7.054018 -16.91947      20.38929 
1 1 1 -13 9  17 o 268.1306 5.225605 980.6915       32.80487 950.3116      64.65999 991.2216       38.06802 265.1154 9.057685 271.1458 5.214034 -6.030426      10.45121 
1 1 1 -13 9  18 o 293.6938 5.385234 1231.096       38.69545 994.3904      67.41214 1347.415       47.25607 271.2518 9.229584 316.1357 5.551376 -44.88397      10.77047 
1 1 1 -13 9  19 o 91.71046 11.58391 171.4998       19.04840 47.90128      47.11040 195.6557       20.82678 62.97543 22.26006 120.4455 6.421672 -57.47006      23.16783 
1 1 1 -13 9  20 o 182.8728 6.273683 505.1328       24.04333 366.9458      50.96394 544.6938       27.26863 164.6976 11.49191 201.0481 5.037095 -36.35046      12.54737 
1 1 1 -13 9  21 o 372.0748 5.772072 1925.747       54.48129 1685.644      90.99235 2059.925       68.02177 353.2781 9.565437 390.8715 6.462947 -37.59338      11.54414 
1 1 1 -13 9  22 o 268.2329 5.153857 1001.041       33.31040 901.5936      61.54965 1042.233       39.61295 258.3860 8.846535 278.0799 5.290348 -19.69385      10.30771 
1 1 1 -13 9  23 o 102.3428 8.678942 139.0289       20.31099 148.7950      42.42998 136.1257       23.13373 104.3684 15.09803 100.3172 8.564201 4.051208       17.35788 
1 1 1 -13 9  24 o 72.33023 11.72384 68.48099       21.32091 97.22857      37.96651 55.23906       25.76769 82.42763 17.63879 62.23283 15.44885 20.19480       23.44769 
1 1 1 -13 9  25 o 171.1111 6.135688 408.7392       27.26505 342.8609      42.51871 454.7464       35.53221 158.8694 9.939313 183.3528 7.196996 -24.48338      12.27138 
1 1 1 -13 9  26 o 189.8342 6.631936 496.7478       33.39192 429.0526      49.31702 554.0544       45.37543 177.5364 10.31635 202.1320 8.336859 -24.59555      13.26387 
1 1 1 -13 9  27 o 700.6921 9.729324 6662.516       174.6464 6756.541      297.5997 6613.124       215.6939 703.2615 15.71565 698.1227 11.47421 5.138794       19.45865 
1 1 1 -13 9  28 o 93.41234 15.15457 142.4172       38.62907 180.9462      49.42490 81.93719       61.92380 112.7421 16.28083 74.08262 25.56518 38.65944       30.30913 
1 1 1 -13 9  29 o 124.4068 10.41479 221.8869       34.48587 222.0900      45.55656 221.6143       52.77699 125.0653 13.52791 123.7483 15.83879 1.316963       20.82958 
1 1 1 -13 9  30 o 48.66035 14.80003 14.21966       35.49249 31.23239      50.34825 -2.586106      50.04108 52.65491 21.78214 44.66579 20.04250 7.989120       29.60005 
1 1 1 -13 9  31 o 113.3548 13.90919 225.3537       40.03289 274.2576      54.93705 169.9826       58.45686 132.0817 15.44682 94.62785 23.13564 37.45388       27.81838 
1 1 1 -13 9  32 o 71.58800 17.79981 129.9153       42.55554 129.0705      60.15312 130.7617       60.21217 71.32846 25.15977 71.84753 25.18570 -0.5190735     35.59963 
1 1 1 -13 11 1  o 231.8407 4.596498 723.8686       24.43922 722.3564      27.98656 728.7250       50.15482 231.4890 4.489892 232.1925 8.021972 -0.7035217     9.192995 
1 1 1 -13 11 2  o 383.8257 5.647099 1985.867       53.68578 1979.270      64.30422 2001.043       97.53172 383.0277 6.234848 384.6237 9.417300 -1.596039      11.29420 
1 1 1 -13 11 3  o 395.3389 4.493279 2108.002       47.82298 2086.082      66.86927 2130.951       68.42123 393.2405 6.315168 397.4373 6.393504 -4.196747      8.986559 
1 1 1 -13 11 4  o 108.0742 2.868297 161.3897       8.124993 182.1429      10.80795 134.4187       12.32113 116.2794 3.451889 99.86891 4.581808 16.41054       5.736593 
1 1 1 -13 11 5  o 346.5865 4.030173 1617.194       37.57244 1566.060      51.71871 1674.342       54.67538 340.8001 5.635917 352.3730 5.762431 -11.57297      8.060346 
1 1 1 -13 11 6  o 71.55614 4.084918 67.10426       7.674649 77.62673      12.64188 60.96280       9.658021 75.86565 6.188469 67.24664 5.333769 8.619011       8.169837 
1 1 1 -13 11 7  o 335.8511 5.960879 1520.553       53.65417 1554.289      80.22411 1493.250       72.17023 339.1676 8.784300 332.5347 8.060050 6.632874       11.92176 
1 1 1 -13 11 8  o 285.0500 5.428475 1099.146       41.55100 1063.830      60.47112 1130.733       57.19004 280.6695 8.001464 289.4306 7.338253 -8.761108      10.85695 
1 1 1 -13 11 9  o 258.8609 4.498344 913.4026       26.75113 885.7972      54.25159 922.2708       30.74928 256.1144 7.866746 261.6075 4.365172 -5.493103      8.996689 
1 1 1 -13 11 10 o 191.9772 4.499134 487.1902       17.96959 513.0961      42.57249 481.5742       19.82190 194.8986 8.112169 189.0559 3.893783 5.842682       8.998268 
1 1 1 -13 11 11 o 168.9499 4.733625 389.0115       16.89105 379.1057      38.49041 391.3741       18.79778 167.4783 8.535140 170.4215 4.096366 -2.943222      9.467251 
1 1 1 -13 11 12 o 204.7894 4.427911 570.3665       20.93960 557.5748      42.22899 574.5370       24.11275 203.1240 7.720868 206.4549 4.337488 -3.330902      8.855823 
1 1 1 -13 11 13 o 117.5191 5.496844 178.2629       14.93731 203.2562      31.17696 170.8163       17.01767 122.5147 9.450661 112.5235 5.616600 9.991219       10.99369 
1 1 1 -13 11 14 o 169.6387 4.831380 387.4317       19.34459 390.9843      38.05197 386.1936       22.46401 170.0417 8.310713 169.2357 4.929603 0.8059998      9.662760 
1 1 1 -13 11 15 o 110.8382 7.001497 172.1935       18.02690 154.6113      35.20362 178.4426       20.98737 106.7025 12.25262 114.9737 6.779160 -8.271202      14.00299 
1 1 1 -13 11 16 f 62.59133 11.98036 52.11368       18.29036 59.93856      38.25481 49.79485       20.82484 65.79159 19.89902 59.39108 13.34709 6.400509       23.96071 
1 1 1 -13 11 17 o 186.8440 5.354315 462.6244       23.12590 487.8701      47.44739 454.7584       26.48474 190.0133 9.273525 183.6747 5.355042 6.338577       10.70863 
1 1 1 -13 11 18 o 265.5331 5.868510 944.9319       40.23564 976.8621      67.75491 927.5380       50.00811 268.8679 9.358764 262.1983 7.083160 6.669556       11.73702 
1 1 1 -13 11 19 o 184.5943 6.450484 461.8485       28.26065 456.4015      54.82607 463.8194       32.97958 183.7222 11.08261 185.4664 6.603839 -1.744217      12.90097 
1 1 1 -13 11 20 o 175.4306 6.779144 444.9659       27.88973 354.2412      51.84321 481.9153       33.08514 161.8068 11.89904 189.0545 6.499240 -27.24776      13.55829 
1 1 1 -13 11 21 o 329.7739 6.013610 1488.532       50.62103 1403.307      85.33503 1534.805       62.87915 322.2314 9.835037 337.3163 6.922867 -15.08487      12.02722 
1 1 1 -13 11 22 o 215.9818 6.324325 651.2155       32.01234 590.2088      61.85524 673.5336       37.41240 208.5712 11.01384 223.3924 6.219619 -14.82120      12.64865 
1 1 1 -13 11 23 o 102.4091 11.50025 146.8159       24.78285 146.2985      54.40807 146.9514       27.83852 100.7662 20.74364 104.0520 9.936019 -3.285789      23.00050 
1 1 1 -13 11 24 o 231.6533 9.941006 728.5997       62.00865 728.5997      62.00865 0.000000       0.000000 231.6533 9.941006 ?        ?        ?              ?        
1 1 1 -13 11 25 o 33.64885 11.59263 -77.71008      32.70850 -89.37702     53.14986 -70.59818      41.49699 35.72171 17.37215 31.57599 15.35464 4.145720       23.18526 
1 1 1 -13 11 26 o 60.78583 18.59883 -4.172754      56.00978 2.455697      78.41354 -11.07745      80.03080 61.73594 26.44119 59.83572 26.16351 1.900211       37.19766 
1 1 1 -13 11 27 o 113.9412 13.53320 184.7012       39.68128 150.9257      49.79837 243.4491       65.67663 99.64384 19.25699 128.2385 19.01993 -28.59467      27.06639 
1 1 1 -13 11 28 o 45.14431 14.32033 -8.795640      34.94051 -11.61483     44.13042 -4.059177      57.20093 41.62934 18.73880 48.65928 21.65975 -7.029938      28.64066 
1 1 1 -13 11 29 o 81.53187 14.66755 112.8936       34.70362 158.9449      47.85646 61.81942       50.39883 100.6347 18.33635 62.42906 22.89817 38.20562       29.33510 
1 1 1 -13 11 30 o 84.07416 16.43590 126.2189       39.27584 180.9635      61.12659 87.72592       51.25668 99.61350 23.21821 68.53482 23.26951 31.07868       32.87180 
1 1 1 -13 11 31 o 91.40695 24.73864 186.5787       62.37393 186.5787      62.37393 0.000000       0.000000 91.40695 24.73864 ?        ?        ?              ?        
1 1 1 -13 13 1  o 273.9509 4.840996 951.4517       30.99874 894.3322      35.37468 1140.428       64.34341 257.5118 5.101665 290.3899 8.228851 -32.87808      9.681993 
1 1 1 -13 13 2  o 239.2085 6.157526 779.9205       39.32495 716.2071      57.98669 834.1768       53.51040 230.0052 9.362832 248.4117 7.999866 -18.40649      12.31505 
1 1 1 -13 13 3  o 178.5894 5.480824 431.0025       22.48236 430.8842      45.94604 431.0397       25.77945 178.4043 9.564435 178.7745 5.355309 -0.3701782     10.96165 
1 1 1 -13 13 4  o 237.3414 4.746725 779.9918       22.94028 731.0801      54.23005 790.6517       25.31700 232.4655 8.663595 242.2174 3.881715 -9.751892      9.493450 
1 1 1 -13 13 5  o 292.7004 4.798350 1135.613       29.43695 1191.547      68.99516 1123.165       32.54803 296.7414 8.634896 288.6595 4.187507 8.081940       9.596700 
1 1 1 -13 13 6  o 84.22215 7.460491 57.09089       8.140673 152.6449      40.11031 52.98576       8.313701 105.7624 14.08450 62.68188 4.925711 43.08053       14.92098 
1 1 1 -13 13 7  o 314.9262 4.865230 1319.028       33.14690 1374.412      74.39185 1305.309       37.02546 318.6883 8.669138 311.1641 4.419037 7.524170       9.730459 
1 1 1 -13 13 8  o 220.7486 4.597160 628.4976       20.16495 702.4247      51.33794 615.0113       21.92727 227.8729 8.366859 213.6242 3.811980 14.24863       9.194321 
1 1 1 -13 13 9  o 72.51270 9.969560 82.06061       12.35337 60.69730      35.39569 85.02373       13.18228 65.65339 18.96115 79.37201 6.167934 -13.71862      19.93912 
1 1 1 -13 13 10 o 51.14277 10.24910 40.04167       13.19062 9.363655      35.38928 44.99132       14.21495 44.62309 18.34007 57.66245 9.155220 -13.03936      20.49821 
1 1 1 -13 13 11 o 102.8298 7.112810 157.6461       14.27588 122.8453      33.77893 165.2136       15.75176 94.98413 13.20722 110.6756 5.285594 -15.69143      14.22562 
1 1 1 -13 13 12 o 118.2215 6.297287 192.3882       14.93866 184.2568      36.14918 194.0628       16.40498 116.4846 11.52515 119.9584 5.078806 -3.473816      12.59457 
1 1 1 -13 13 13 o 367.6186 5.579619 1826.232       53.16368 1822.001      87.98499 1828.665       66.72102 367.1227 8.900491 368.1145 6.731260 -0.9917908     11.15924 
1 1 1 -13 13 14 o 159.5017 5.762945 344.0647       24.44071 340.9401      37.57085 346.3571       32.18058 158.8308 8.784822 160.1725 7.461436 -1.341705      11.52589 
1 1 1 -13 13 15 o 282.8366 5.178401 1073.587       38.39632 1104.984      62.23173 1054.289       48.78998 286.0874 8.078483 279.5858 6.480852 6.501556       10.35680 
1 1 1 -13 13 16 o 68.66602 12.74706 68.88683       24.64361 42.61351      38.03608 87.89481       32.35239 58.31098 20.04123 79.02107 15.75750 -20.71009      25.49411 
1 1 1 -13 13 17 o 121.7957 8.698406 203.8251       27.79868 186.1776      43.47066 216.0347       36.15823 117.1825 13.77685 126.4089 10.62297 -9.226357      17.39681 
1 1 1 -13 13 18 o 63.97028 14.21816 46.29036       27.83233 87.22520      46.16668 22.91811       34.88449 78.58327 21.28968 49.35730 18.85136 29.22597       28.43632 
1 1 1 -13 13 19 o 309.4780 6.319296 1297.311       48.90732 1282.098      86.89949 1304.363       59.16751 307.9782 10.47885 310.9778 7.065949 -2.999542      12.63859 
1 1 1 -13 13 20 o 178.6228 7.444807 428.4965       30.53518 439.1119      62.78723 425.2080       34.94622 179.7857 12.96979 177.4599 7.313355 2.325760       14.88961 
1 1 1 -13 13 21 o 187.3291 7.455231 467.8655       31.27930 490.9904      67.00546 461.4220       35.36966 189.8504 13.10736 184.8077 7.107674 5.042740       14.91046 
1 1 1 -13 13 22 o 131.2311 9.669306 260.8137       27.36841 192.4135      55.84584 282.4338       31.39721 118.0209 17.57311 144.4414 8.072648 -26.42052      19.33861 
1 1 1 -13 13 23 o 25.42507 12.54720 -110.6465      27.07506 -248.9090     55.48797 -67.44075      31.01827 ?        ?        25.42507 12.54720 ?              ?        
1 1 1 -13 13 24 o 59.12899 16.06156 36.98571       34.85099 8.241179      66.10596 48.05017       41.01363 57.63060 24.46915 60.62738 20.81240 -2.996780      32.12313 
1 1 1 -13 13 25 o 121.8479 16.95123 265.8399       53.60662 64.67373      91.55025 370.7978       66.12865 78.99217 30.44738 164.7035 14.91088 -85.71136      33.90247 
1 1 1 -13 13 26 o 62.24708 15.28453 34.68684       40.35896 -55.99563     58.60813 116.4710       55.65842 40.68349 19.38216 83.81066 23.63895 -43.12717      30.56907 
1 1 1 -13 13 27 o 54.74320 15.03891 30.95620       33.77853 -0.6420680    48.25266 61.32120       47.30165 45.77650 20.15787 63.70990 22.32344 -17.93340      30.07783 
1 1 1 -13 13 28 o 97.25636 13.03131 148.0605       32.82183 152.6131      48.07344 144.0855       44.92091 98.39061 18.83144 96.12212 18.01768 2.268486       26.06262 
1 1 1 -13 13 29 o 68.36951 16.71504 76.08945       37.91918 131.1485      62.05713 43.28377       47.90180 82.36375 25.42895 54.37527 21.70114 27.98848       33.43009 
1 1 1 -13 13 30 o 50.63215 15.11810 38.02676       38.24612 -5.792568     59.29705 69.24239       50.04795 43.08860 20.21266 58.17570 22.48725 -15.08709      30.23620 
1 1 1 -13 15 1  o 715.7091 11.19808 6954.433       215.4030 7215.109      316.4256 6729.313       294.0548 728.0331 16.14124 703.3851 15.52572 24.64801       22.39615 
1 1 1 -13 15 2  o 87.29434 12.03498 105.7318       27.57977 138.8740      40.37925 76.75009       37.75975 101.0579 14.83899 73.53077 18.95170 27.52714       24.06996 
1 1 1 -13 15 3  o 89.44966 9.627849 117.2487       10.54289 103.3367      41.90728 118.1887       10.89325 85.24921 18.76489 93.65012 4.319820 -8.400902      19.25570 
1 1 1 -13 15 4  o 132.3283 6.807482 281.0883       10.84842 191.0729      42.51156 287.3584       11.21989 118.5922 13.31275 146.0645 2.852730 -27.47230      13.61496 
1 1 1 -13 15 5  o 394.6453 5.513806 2139.958       49.15150 2035.975      101.6011 2171.729       56.16060 387.9376 9.726420 401.3530 5.196630 -13.41541      11.02761 
1 1 1 -13 15 6  o 279.5727 4.637679 1070.140       27.66091 1029.229      61.99955 1080.307       30.90743 275.9971 8.342584 283.1482 4.053832 -7.151062      9.275357 
1 1 1 -13 15 7  o 307.8047 4.899838 1269.106       31.96912 1294.358      73.33849 1263.182       35.52166 309.4487 8.801564 306.1607 4.308841 3.287994       9.799676 
1 1 1 -13 15 8  o 355.7028 5.271173 1696.022       40.77124 1729.162      90.39941 1687.559       45.68115 357.5731 9.388958 353.8326 4.794638 3.740540       10.54235 
1 1 1 -13 15 9  o 89.96386 10.42236 124.7155       19.66644 91.10601      40.54936 135.0529       22.48841 79.95097 19.09762 99.97675 8.353653 -20.02577      20.84472 
1 1 1 -13 15 10 o 319.6732 5.286018 1397.010       42.72746 1328.276      73.58858 1431.967       52.47975 313.5072 8.717251 325.8392 5.981430 -12.33200      10.57204 
1 1 1 -13 15 11 o 442.9181 6.353535 2657.902       71.26584 2629.664      123.6516 2671.948       87.20654 440.8765 10.41597 444.9598 7.278551 -4.083313      12.70707 
1 1 1 -13 15 12 o 122.9542 7.236897 212.8591       21.63841 184.1812      38.90397 225.7048       26.03749 116.5840 12.39287 129.3244 7.477138 -12.74043      14.47379 
1 1 1 -13 15 13 o 389.5799 5.345600 2052.917       55.21265 2021.382      85.59995 2075.383       72.25124 386.9272 8.216006 392.2326 6.840980 -5.305328      10.69120 
1 1 1 -13 15 14 o 271.5707 7.807468 995.4222       57.09216 995.4222      57.09216 0.000000       0.000000 271.5707 7.807468 ?        ?        ?              ?        
1 1 1 -13 15 15 o 356.4686 5.278251 1716.944       49.99517 1696.937      76.99062 1731.532       65.74202 354.6110 8.063104 358.3262 6.813671 -3.715149      10.55650 
1 1 1 -13 15 16 o 92.18257 10.75715 120.1254       25.26574 102.3963      38.94840 133.0063       33.19869 85.23343 17.55504 99.13171 12.43727 -13.89828      21.51430 
1 1 1 -13 15 17 o 220.2979 5.585443 664.3893       32.59931 586.8426      48.86456 726.5842       43.76123 208.4924 8.704031 232.1035 7.002038 -23.61113      11.17089 
1 1 1 -13 15 18 o 274.0580 5.600139 1020.697       40.86312 963.3621      61.60241 1065.749       54.60639 267.0769 8.565999 281.0391 7.215947 -13.96222      11.20028 
1 1 1 -13 15 19 f 314.1252 5.610652 1339.687       46.57320 1301.816      72.70441 1366.042       60.65095 310.2176 8.703841 318.0327 7.082432 -7.815125      11.22130 
1 1 1 -13 15 20 o 62.18421 13.42061 53.10111       29.38248 -17.44142     50.86557 88.42728       35.99537 45.74353 20.38877 78.62490 17.45705 -32.88137      26.84121 
1 1 1 -13 15 21 o 47.14990 13.45104 16.21848       25.40364 -9.149050     48.73436 25.68306       29.76780 46.41238 20.35216 47.88743 17.59295 -1.475048      26.90209 
1 1 1 -13 15 22 o 69.49155 14.56141 74.33706       30.01024 26.92422      58.01413 91.65967       35.06651 59.05074 23.77113 79.93237 16.82475 -20.88162      29.12282 
1 1 1 -13 15 23 o 56.92872 14.02960 34.64129       32.29511 -54.33490     58.61916 73.41727       38.69760 42.80660 20.08562 71.05083 19.59301 -28.24424      28.05919 
1 1 1 -13 15 24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 15 25 o 37.97460 12.73831 -51.85462      35.17989 -72.21596     53.64904 -36.49451      46.59678 37.18656 17.93180 38.76264 18.09721 -1.576080      25.47663 
1 1 1 -13 15 26 o 88.70325 13.33708 129.1373       31.07368 79.92683      49.01814 162.1990       40.17819 70.88655 22.69994 106.5200 14.00800 -35.63340      26.67417 
1 1 1 -13 15 27 o 48.36826 14.46515 -8.600632      33.03010 62.90625      57.18004 -44.40996      40.46399 63.49599 24.16287 33.24052 15.90967 30.25547       28.93030 
1 1 1 -13 15 28 o 43.72299 13.68325 -3.424487      34.92880 -78.60220     62.45084 30.79771       42.13545 37.91095 18.52317 49.53503 20.14491 -11.62408      27.36649 
1 1 1 -13 15 29 o 49.92105 14.21441 33.89271       33.45771 -17.85374     51.13414 72.63183       44.24310 39.29410 18.53734 60.54800 21.55376 -21.25391      28.42882 
1 1 1 -13 17 1  o 73.51310 13.58627 76.43983       27.24727 69.98055      38.79201 82.72973       38.28000 70.60034 19.67242 76.42586 18.74415 -5.825516      27.17254 
1 1 1 -13 17 2  o 229.8333 6.377757 714.9079       39.36738 684.5731      56.98643 742.6004       54.44803 225.1295 9.400600 234.5370 8.621592 -9.407440      12.75551 
1 1 1 -13 17 3  o 445.2509 6.450283 2677.327       71.52739 2679.115      128.4495 2676.524       86.11411 445.0824 10.71787 445.4194 7.179956 -0.3370361     12.90057 
1 1 1 -13 17 4  o 541.4242 7.509992 3939.755       101.3702 4032.181      182.6836 3898.636       121.8509 545.5160 12.43680 537.3325 8.421748 8.183533       15.01998 
1 1 1 -13 17 5  o 424.3552 6.161386 2458.454       66.21334 2353.695      113.9027 2511.924       81.37529 417.2136 10.13893 431.4967 7.003767 -14.28311      12.32277 
1 1 1 -13 17 6  o 515.6757 7.186399 3612.928       93.57629 3546.337      162.9392 3645.700       114.3065 511.7150 11.82535 519.6363 8.169361 -7.921265      14.37280 
1 1 1 -13 17 7  o 247.3023 5.206094 824.3450       34.66758 0.000000      0.000000 824.3450       34.66758 ?        ?        247.3023 5.206094 ?              ?        
1 1 1 -13 17 8  o 349.5849 4.900902 1657.188       45.06778 1607.803      71.29377 1690.057       58.16303 345.1451 7.671256 354.0247 6.101408 -8.879547      9.801804 
1 1 1 -13 17 9  o 235.2849 5.502310 726.3330       29.60029 786.9087      62.10295 708.5262       33.67103 241.3064 9.557846 229.2635 5.454288 12.04285       11.00462 
1 1 1 -13 17 10 o 598.3248 8.177032 4827.127       122.9136 4894.372      217.8700 4795.732       148.8662 600.8179 13.46701 595.8317 9.278742 4.986206       16.35406 
1 1 1 -13 17 11 o 568.3606 7.802342 4353.811       111.6713 4409.438      197.0213 4327.482       135.5470 570.5880 12.82352 566.1332 8.891766 4.454712       15.60468 
1 1 1 -13 17 12 o 105.8857 10.45929 175.0509       23.88047 115.9959      45.00668 198.1919       28.17345 90.59761 19.05331 121.1738 8.634711 -30.57620      20.91857 
1 1 1 -13 17 13 o 428.0736 6.325712 2466.488       68.51366 2495.545      119.7708 2452.355       83.53023 429.7435 10.35043 426.4038 7.275104 3.339722       12.65142 
1 1 1 -13 17 14 o 267.9271 5.535752 961.3665       37.34456 988.8829      66.16894 948.5050       45.23796 270.6183 9.080579 265.2358 6.334137 5.382507       11.07150 
1 1 1 -13 17 15 o 358.8283 6.907486 1736.532       66.74060 0.000000      0.000000 1736.532       66.74060 ?        ?        358.8283 6.907486 ?              ?        
1 1 1 -13 17 16 o 262.2429 5.560914 915.0674       37.62123 977.4120      63.93750 882.0515       46.52838 268.8536 8.831945 255.6322 6.759570 13.22148       11.12183 
1 1 1 -13 17 17 o 220.3464 6.082819 651.7335       35.01791 677.3983      57.38497 636.5063       44.20192 223.6580 9.528627 217.0348 7.563598 6.623230       12.16564 
1 1 1 -13 17 18 o 217.7141 7.789057 641.2112       45.66200 0.000000      0.000000 641.2112       45.66200 ?        ?        217.7141 7.789057 ?              ?        
1 1 1 -13 17 19 f 107.1447 11.57140 153.6185       32.10789 174.2813      54.66041 142.7328       39.67406 112.2256 18.08830 102.0639 14.43614 10.16168       23.14279 
1 1 1 -13 17 20 o 38.02979 12.42877 -51.28520      33.30173 -161.1992     59.99515 -2.339444      40.03568 32.61589 16.31576 43.44369 18.75348 -10.82780      24.85753 
1 1 1 -13 17 21 o 44.68114 14.42517 -23.30571      34.87726 -38.34269     66.71188 -17.64986      40.91402 49.18090 22.49107 40.18137 18.06914 8.999535       28.85033 
1 1 1 -13 17 22 o 33.33550 11.73239 -113.9739      38.43269 -218.0738     75.95332 -78.14702      44.55804 34.83441 17.55087 31.83660 15.57442 2.997807       23.46478 
1 1 1 -13 17 23 o 57.26289 16.23355 15.29186       43.45225 -78.83806     75.51615 61.88309       53.12857 46.86112 22.23183 67.66465 23.66133 -20.80353      32.46711 
1 1 1 -13 17 24 o 55.15138 15.15614 35.39040       32.39309 14.49105      55.09796 46.43004       40.04483 52.50349 22.31700 57.79928 20.51307 -5.295795      30.31229 
1 1 1 -13 17 25 o 77.77141 12.48269 108.6413       30.68456 2.092669      53.19003 161.7872       37.56565 48.59294 21.28642 106.9499 13.04450 -58.35693      24.96538 
1 1 1 -13 17 26 o 64.65925 15.90368 70.69547       34.21110 43.31755      64.50717 81.40944       40.35367 58.98223 24.54832 70.33627 20.22593 -11.35403      31.80736 
1 1 1 -13 17 27 o 48.88745 14.50505 26.56149       33.04368 -33.16407     69.34666 44.10579       37.58490 44.86027 21.28891 52.91463 19.70707 -8.054359      29.01011 
1 1 1 -13 17 28 o 39.28340 13.38005 -21.35266      36.53873 -38.25879     76.26134 -16.31529      41.62788 42.74123 20.79128 35.82557 16.84713 6.915665       26.76010 
1 1 1 -13 19 1  o 347.5855 6.860752 1632.939       64.14341 1650.026      93.09828 1617.497       88.50117 349.2847 9.898712 345.8864 9.502376 3.398376       13.72150 
1 1 1 -13 19 2  o 196.5005 5.685425 532.6682       22.76115 503.4755      53.89483 539.0052       25.11036 192.9946 10.37095 200.0065 4.662570 -7.011993      11.37085 
1 1 1 -13 19 3  o 424.3986 6.291084 2426.448       66.01933 2445.783      120.3115 2418.118       78.97094 425.3654 10.50416 423.4317 6.926288 1.933746       12.58217 
1 1 1 -13 19 4  o 239.2172 5.294948 778.2937       28.82391 760.2153      59.37212 783.8685       32.96992 237.2539 9.293640 241.1806 5.076826 -3.926682      10.58990 
1 1 1 -13 19 5  o 112.6317 7.949883 170.4381       16.44234 173.1246      44.97736 170.0237       17.66504 112.9551 14.78784 112.3084 5.841426 0.6466446      15.89977 
1 1 1 -13 19 6  o 533.5593 6.065745 3844.072       87.11226 3790.321      124.4078 3895.777       122.0176 529.8756 8.719474 537.2429 8.434679 -7.367310      12.13149 
1 1 1 -13 19 7  o 306.3282 4.478069 1271.636       36.55151 1216.596      55.17721 1314.677       48.79283 300.3562 6.822441 312.3003 5.802301 -11.94409      8.956138 
1 1 1 -13 19 8  o 216.7288 4.694845 628.6332       25.74687 647.2609      45.19746 619.6845       31.32659 219.0308 7.663468 214.4268 5.425636 4.604034       9.389689 
1 1 1 -13 19 9  o 623.1641 6.974863 5247.485       117.0180 5156.184      165.8356 5338.024       165.1434 617.7410 9.969832 628.5871 9.756908 -10.84607      13.94973 
1 1 1 -13 19 10 o 474.1904 5.694266 3035.300       72.43823 3024.656      107.0432 3044.293       98.38934 473.3745 8.397902 475.0064 7.692459 -1.631958      11.38853 
1 1 1 -13 19 11 o 783.1443 8.579165 8302.538       180.8423 8323.297      259.5509 8282.952       252.1107 784.0377 12.29425 782.2509 11.96911 1.786743       17.15833 
1 1 1 -13 19 12 o 129.6913 7.313673 225.7735       23.76575 232.7252      42.50717 222.6123       28.66451 131.0111 12.04954 128.3715 8.292635 2.639648       14.62735 
1 1 1 -13 19 13 o 374.2626 5.093888 1890.493       50.89482 1903.290      77.31190 1880.706       67.61176 375.3019 7.650366 373.2232 6.727755 2.078644       10.18778 
1 1 1 -13 19 14 o 301.0618 4.993885 1226.984       40.03760 1205.329      61.04745 1243.329       53.03721 298.6498 7.591400 303.4737 6.490470 -4.823883      9.987770 
1 1 1 -13 19 15 o 265.2112 5.195960 957.4653       36.69775 900.9490      55.21492 1002.185       49.11575 258.0594 7.946089 272.3631 6.697137 -14.30371      10.39192 
1 1 1 -13 19 16 o 79.96019 12.84258 89.83289       26.71440 105.1384      41.92873 79.37394       34.66028 85.54268 18.72281 74.37771 17.58362 11.16497       25.68516 
1 1 1 -13 19 17 o 457.6731 6.047239 2820.433       73.65184 2942.042      114.1913 2733.805       96.37844 465.8912 9.102595 449.4550 7.963615 16.43616       12.09448 
1 1 1 -13 19 18 o 74.91836 20.36322 81.38918       42.15483 0.000000      0.000000 81.38918       42.15483 ?        ?        74.91836 20.36322 ?              ?        
1 1 1 -13 19 19 o 278.6091 10.78371 1057.299       80.89970 1057.299      80.89970 0.000000       0.000000 278.6091 10.78371 ?        ?        ?              ?        
1 1 1 -13 19 20 o 35.06722 17.69335 -221.2919      78.72095 -221.2919     78.72095 0.000000       0.000000 35.06722 17.69335 ?        ?        ?              ?        
1 1 1 -13 19 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 19 22 o 170.1366 8.819825 409.7170       37.51153 381.8366      65.36411 423.4085       45.80523 164.6679 14.74169 175.6053 9.687104 -10.93747      17.63965 
1 1 1 -13 19 23 o 57.96529 14.62241 49.22070       30.28265 3.489866      58.55451 65.91805       35.38178 50.60197 22.24603 65.32861 18.98350 -14.72665      29.24481 
1 1 1 -13 19 24 o 57.89283 14.42269 50.31120       32.10081 -21.25519     61.70226 76.87017       37.58825 46.39782 21.36927 69.38785 19.37551 -22.99003      28.84538 
1 1 1 -13 19 25 o 54.23986 15.82727 37.16393       35.13965 21.96420      70.41604 42.20433       40.54956 54.81401 24.23322 53.66570 20.36567 1.148315       31.65453 
1 1 1 -13 19 26 o 63.22271 15.42305 79.89845       34.63597 26.59476      72.39114 95.72338       39.44370 52.77098 23.85407 73.67445 19.55671 -20.90347      30.84609 
1 1 1 -13 19 27 o 43.45441 14.24885 11.24661       38.40396 -30.87982     79.56905 24.04028       43.84947 42.99711 20.98645 43.91172 19.27919 -0.9146042     28.49769 
1 1 1 -13 21 1  o 239.6916 3.721643 774.7255       24.00436 736.4971      33.49080 815.1116       34.42299 233.6090 5.324177 245.7742 5.201503 -12.16518      7.443285 
1 1 1 -13 21 2  o 209.5364 3.774003 594.0897       21.22120 568.6029      30.90006 616.8414       29.19506 205.2479 5.591100 213.8249 5.070698 -8.577011      7.548005 
1 1 1 -13 21 3  o 265.4008 3.978438 951.6311       28.36967 934.6190      41.29833 966.8324       39.03852 263.1286 5.828825 267.6729 5.416335 -4.544312      7.956876 
1 1 1 -13 21 4  o 123.5141 5.131121 206.3217       15.97555 205.8425      28.02828 206.5522       19.44305 123.3227 8.440535 123.7054 5.837035 -0.3826752     10.26224 
1 1 1 -13 21 5  o 565.6021 6.360276 4332.003       96.84466 4323.660      138.3364 4340.022       135.6220 565.0326 9.092422 566.1715 8.896082 -1.138916      12.72055 
1 1 1 -13 21 6  o 282.5143 4.274390 1076.382       32.29336 1085.145      48.68885 1069.500       43.15049 283.4993 6.378142 281.5293 5.692182 1.969971       8.548779 
1 1 1 -13 21 7  o 351.5293 4.644335 1670.366       43.88245 1638.040      63.63826 1699.671       60.59206 348.2478 6.786510 354.8107 6.342136 -6.562897      9.288671 
1 1 1 -13 21 8  o 198.5844 4.643423 541.1223       24.24875 487.5464      37.51672 579.5635       31.77892 189.9308 7.335777 207.2381 5.694901 -17.30731      9.286846 
1 1 1 -13 21 9  o 419.5693 5.158097 2379.019       58.07002 2385.289      85.83792 2373.727       78.85282 420.0102 7.589898 419.1283 6.986937 0.8818970      10.31619 
1 1 1 -13 21 10 o 234.9396 4.776957 744.0310       29.14186 752.3894      48.18047 739.2092       36.59470 235.8686 7.586081 234.0105 5.807636 1.858109       9.553913 
1 1 1 -13 21 11 o 216.2792 4.876475 631.0699       27.69591 637.3438      44.47878 627.0970       35.39509 217.0649 7.609916 215.4936 6.099936 1.571289       9.752950 
1 1 1 -13 21 12 o 207.2214 5.475470 591.1752       29.69365 533.3551      46.58419 630.7450       38.53728 198.3978 8.720036 216.0450 6.624505 -17.64717      10.95094 
1 1 1 -13 21 13 o 177.2164 6.155661 425.9213       28.48977 423.7599      46.24140 427.2438       36.17012 176.7165 9.717858 177.7163 7.558562 -0.9998779     12.31132 
1 1 1 -13 21 14 o 324.2963 5.258427 1415.577       45.38706 1467.514      70.24593 1378.357       59.46640 329.2749 7.922809 319.3177 6.916165 9.957275       10.51685 
1 1 1 -13 21 15 o 242.7305 6.153398 777.7142       39.29542 900.3853      64.32748 704.6888       49.63206 257.4535 9.279282 228.0074 8.084067 29.44608       12.30680 
1 1 1 -13 21 16 f 161.0811 8.716372 350.4545       36.84132 373.9102      59.98354 336.2466       46.68436 165.1101 13.49196 157.0521 11.03937 8.058029       17.43274 
1 1 1 -13 21 17 o 99.03855 14.90896 138.2989       39.01633 214.7821      64.17167 93.44508       49.14282 120.6417 19.75433 77.43538 22.33549 43.20634       29.81791 
1 1 1 -13 21 18 o 45.61127 15.22737 -74.49859      48.92047 -128.2988     80.98685 -43.58983      61.38515 44.86043 21.72922 46.36210 21.33852 -1.501667      30.45474 
1 1 1 -13 21 19 f 37.98036 13.21482 -130.7260      48.43164 -288.7257     90.61541 -67.54197      57.30303 36.43091 18.45090 39.52981 18.92328 -3.098900      26.42965 
1 1 1 -13 21 20 o 38.64483 13.15222 -49.88837      34.01001 -93.03275     72.23637 -37.60094      38.54999 43.07753 20.78137 34.21212 16.12632 8.865406       26.30444 
1 1 1 -13 21 21 o 54.21218 15.95961 3.394695       33.02635 78.31185      71.77139 -16.73023      37.19871 71.43853 27.09830 36.98584 16.86770 34.45269       31.91923 
1 1 1 -13 21 22 o 54.65501 16.07897 12.35167       33.65139 77.21395      71.38652 -6.179651      38.15692 69.75623 26.88648 39.55380 17.64230 30.20243       32.15795 
1 1 1 -13 21 23 o 49.01655 15.48511 1.742072       36.20097 35.08426      72.31020 -9.409648      41.81897 58.13931 25.15004 39.89379 18.07291 18.24552       30.97022 
1 1 1 -13 21 24 o 52.07243 15.79204 24.41076       34.90079 67.31689      69.35461 9.861066       40.38710 61.51067 25.51500 42.63419 18.61555 18.87647       31.58408 
1 1 1 -13 21 25 o 63.06671 16.22371 82.20267       34.33907 100.7250      58.97428 72.70163       42.23779 65.83712 24.65302 60.29630 21.09654 5.540817       32.44743 
1 1 1 -13 23 1  o 101.5063 6.119481 140.0851       16.68482 146.1832      23.14702 133.4899       24.07196 103.8433 8.278145 99.16936 9.014683 4.673965       12.23896 
1 1 1 -13 23 2  o 190.2944 4.463056 487.2347       22.76406 466.7834      30.51673 512.8911       34.18035 185.8401 6.098390 194.7488 6.518061 -8.908676      8.926112 
1 1 1 -13 23 3  o 358.1081 4.831598 1733.634       46.56417 1691.968      64.56242 1778.803       67.22139 353.6412 6.780061 362.5749 6.885355 -8.933716      9.663196 
1 1 1 -13 23 4  o 300.5995 4.605872 1222.405       37.26310 1204.905      53.28503 1239.155       52.12993 298.4691 6.630136 302.7299 6.395117 -4.260803      9.211744 
1 1 1 -13 23 5  o 129.8977 6.135488 224.9530       21.20283 254.3968      33.26422 204.8042       27.51729 136.8922 9.024337 122.9032 8.314938 13.98896       12.27098 
1 1 1 -13 23 6  o 319.7823 4.682370 1383.342       40.25092 1373.609      58.53098 1392.074       55.44138 318.6721 6.821164 320.8926 6.416393 -2.220581      9.364740 
1 1 1 -13 23 7  o 209.9345 5.006649 598.8549       27.78796 582.7115      43.32824 610.1341       36.21714 207.4156 7.757935 212.4534 6.330924 -5.037735      10.01330 
1 1 1 -13 23 8  o 434.9003 5.495955 2562.821       64.34454 2522.216      91.49962 2602.545       90.50241 431.4557 7.875890 438.3449 7.667624 -6.889160      10.99191 
1 1 1 -13 23 9  o 173.9731 9.586775 411.4341       44.90948 411.4341      44.90948 0.000000       0.000000 173.9731 9.586775 ?        ?        ?              ?        
1 1 1 -13 23 10 o 179.7756 6.605152 446.5059       30.98675 406.5031      49.10632 472.9726       39.94313 172.7440 10.55725 186.8072 7.940814 -14.06320      13.21030 
1 1 1 -13 23 11 o 323.9521 5.262605 1415.066       45.34050 1458.500      70.28764 1384.112       59.33666 328.0590 7.956894 319.8452 6.889692 8.213776       10.52521 
1 1 1 -13 23 12 o 125.2559 10.03181 220.7081       32.32291 196.3506      52.53911 235.5415       41.00028 119.1422 16.37698 131.3696 11.59067 -12.22745      20.06362 
1 1 1 -13 23 13 o 155.1317 8.206953 328.0307       33.43708 370.3716      54.81238 302.9355       42.19828 162.4738 12.52887 147.7896 10.60395 14.68430       16.41391 
1 1 1 -13 23 14 o 34.34150 11.94110 -101.6062      37.66098 -137.3380     62.25900 -80.98640      47.29524 35.27602 17.47543 33.40697 16.27786 1.869057       23.88220 
1 1 1 -13 23 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 23 16 o 32.39749 11.47733 -151.4365      42.89546 -222.0650     70.23113 -109.4115      54.17435 31.89708 16.16447 32.89790 16.29805 -1.000818      22.95466 
1 1 1 -13 23 17 o 86.21443 13.78773 82.27761       35.61242 220.7739      62.38493 15.32960       43.37400 123.5521 18.75194 48.87677 20.21809 74.67531       27.57547 
1 1 1 -13 23 18 o 56.45561 15.77761 30.83913       32.77496 65.37344      61.22461 16.96734       38.80314 66.46851 25.07265 46.44272 19.15971 20.02579       31.55522 
1 1 1 -13 23 19 o 55.28461 15.61333 29.62852       32.56550 51.16644      59.77361 20.53703       38.83516 62.73851 24.48473 47.83071 19.38047 14.90779       31.22666 
1 1 1 -13 23 20 o 43.96224 13.53450 -0.7507661     32.27314 -58.51406     56.30026 27.51947       39.38666 38.76122 18.60848 49.16327 19.65846 -10.40205      27.06900 
1 1 1 -13 23 21 o 58.16855 16.10850 46.20275       36.30254 75.05981      58.13088 27.75347       46.48048 65.88977 24.51470 50.44733 20.90371 15.44244       32.21701 
1 1 1 -13 23 22 o 48.69953 15.12251 19.12938       38.57228 -0.6645777    60.96217 32.34409       49.81076 46.66859 21.40001 50.73047 21.37288 -4.061886      30.24501 
1 1 1 -13 23 23 o 39.71687 13.16946 -12.56752      35.49457 0.6671498     51.74457 -24.32928      48.78029 42.12698 19.46131 37.30677 17.74812 4.820213       26.33891 
1 1 1 -13 23 24 o 76.22189 15.20914 120.0107       32.53352 105.0547      43.65776 138.6874       48.78707 70.87006 21.21815 81.57372 21.79591 -10.70366      30.41828 
1 1 1 -13 25 1  o 292.0751 6.931800 1161.985       54.51599 0.000000      0.000000 1161.985       54.51599 ?        ?        292.0751 6.931800 ?              ?        
1 1 1 -13 25 2  o 184.8005 5.731150 479.0780       28.12458 508.5663      37.59471 441.6001       42.38267 191.8798 7.276359 177.7211 8.856575 14.15863       11.46230 
1 1 1 -13 25 3  o 161.8358 6.624363 360.7046       28.58912 388.2859      38.87135 328.2049       42.19510 168.8229 8.550961 154.8488 10.11977 13.97409       13.24873 
1 1 1 -13 25 4  o 410.3522 5.837049 2279.259       64.48654 2322.282      91.14059 2236.128       91.25500 414.2521 8.170784 406.4522 8.338037 7.799896       11.67410 
1 1 1 -13 25 5  o 179.3614 9.877530 435.8271       47.70466 435.8271      47.70466 0.000000       0.000000 179.3614 9.877530 ?        ?        ?              ?        
1 1 1 -13 25 6  o 177.0850 10.61630 425.1196       50.62186 425.1196      50.62186 0.000000       0.000000 177.0850 10.61630 ?        ?        ?              ?        
1 1 1 -13 25 7  o 186.2440 11.36476 470.7120       56.99357 470.7120      56.99357 0.000000       0.000000 186.2440 11.36476 ?        ?        ?              ?        
1 1 1 -13 25 8  o 154.5081 13.56662 325.2277       56.44253 325.2277      56.44253 0.000000       0.000000 154.5081 13.56662 ?        ?        ?              ?        
1 1 1 -13 25 9  o 69.14639 15.40257 52.42802       33.56539 111.8959      55.57599 18.28084       42.11369 87.72495 23.17957 50.56783 20.28952 37.15712       30.80515 
1 1 1 -13 25 10 o 40.08773 18.85063 -47.54108      52.10820 -47.54108     52.10820 0.000000       0.000000 40.08773 18.85063 ?        ?        ?              ?        
1 1 1 -13 25 11 o 57.68085 22.60805 50.33974       51.12937 50.33974      51.12937 0.000000       0.000000 57.68085 22.60805 ?        ?        ?              ?        
1 1 1 -13 25 12 o 136.6107 9.163524 261.3742       33.25032 259.3535      51.23193 262.8449       43.70583 135.7151 14.01939 137.5062 11.80412 -1.791122      18.32705 
1 1 1 -13 25 13 o 150.2456 8.251093 309.5380       33.09275 350.3094      51.06639 280.0201       43.45095 158.5242 11.96344 141.9671 11.36654 16.55705       16.50219 
1 1 1 -13 25 14 o 122.1471 10.80484 219.9276       33.92258 201.1963      55.33610 231.2050       42.93666 116.4603 17.64603 127.8338 12.47381 -11.37344      21.60969 
1 1 1 -13 25 15 o 69.48682 16.21742 74.17024       34.77668 88.08337      54.61576 64.68214       45.10192 73.96806 23.98991 65.00556 21.82896 8.962502       32.43485 
1 1 1 -13 25 16 o 79.28087 15.68660 100.2737       34.53814 112.3715      52.91335 91.29312       45.58945 82.99754 22.92052 75.56419 21.42258 7.433357       31.37319 
1 1 1 -13 25 17 f 47.95031 14.60937 9.996752       34.20274 29.35820      51.97780 -4.788856      45.42224 53.12320 22.06653 42.77742 19.15211 10.34578       29.21875 
1 1 1 -13 25 18 o 61.93443 15.75998 60.57058       34.83698 87.08364      49.78339 35.12986       48.76623 70.67780 22.90208 53.19107 21.65647 17.48673       31.51996 
1 1 1 -13 25 19 o 38.35957 12.73064 -31.02394      34.06045 -4.495655     47.45440 -59.21198      48.91637 42.25426 19.18554 34.46487 16.73893 7.789391       25.46128 
1 1 1 -13 25 20 o 48.03509 14.19175 19.85286       34.05864 63.23594      47.04696 -27.91892      49.36932 58.20766 21.97338 37.86251 17.96646 20.34514       28.38350 
1 1 1 -13 25 21 o 38.99391 12.80926 -3.303416      32.32847 -9.404269     44.63267 3.430011       46.88951 37.54460 17.58774 40.44323 18.62741 -2.898628      25.61852 
1 1 1 -13 27 1  o 132.4599 5.720637 239.1140       20.10218 222.7174      25.93983 263.7657       31.80637 127.0793 7.580695 137.8405 8.569469 -10.76119      11.44127 
1 1 1 -13 27 2  o 186.4831 4.936015 478.7894       24.39048 487.3915      31.96006 466.7922       37.74357 188.8236 6.285907 184.1425 7.612119 4.681137       9.872030 
1 1 1 -13 27 3  o 71.63067 14.36290 76.01045       26.73857 76.01045      26.73857 0.000000       0.000000 71.63067 14.36290 ?        ?        ?              ?        
1 1 1 -13 27 4  o 115.7607 7.384982 185.1168       22.76891 177.4789      29.82319 195.7897       35.25410 113.1493 9.788565 118.3721 11.06055 -5.222862      14.76996 
1 1 1 -13 27 5  o 117.9685 7.618507 190.4250       23.98419 165.3125      31.56988 224.7039       36.88437 108.9381 10.76242 126.9990 10.78596 -18.06091      15.23701 
1 1 1 -13 27 6  o 149.8673 6.600379 310.1342       26.62829 300.2958      37.34325 320.3115       37.98102 147.4202 9.407447 152.3144 9.260666 -4.894241      13.20076 
1 1 1 -13 27 7  o 72.89372 12.12610 82.08716       24.85057 47.47705      36.54805 111.8466       33.89027 57.26461 19.64738 88.52283 14.21793 -31.25822      24.25219 
1 1 1 -13 27 8  o 101.7820 9.338929 146.6639       25.56449 148.8368      37.16849 144.7131       35.21764 102.3909 13.48125 101.1730 12.92743 1.217896       18.67786 
1 1 1 -13 27 9  o 81.20517 12.09945 97.79989       26.24281 132.0301      38.71138 68.69231       35.69744 95.72174 15.01913 66.68859 18.97400 29.03315       24.19890 
1 1 1 -13 27 10 o 46.85406 12.12643 -5.165886      26.18537 68.39437      38.82298 -66.55994      35.46749 66.00178 20.06499 27.70635 13.62342 38.29543       24.25286 
1 1 1 -13 27 11 o 79.97403 13.39778 100.1372       28.78829 131.6523      42.65654 73.77644       39.01263 92.19590 17.82752 67.75215 20.00454 24.44375       26.79556 
1 1 1 -13 27 12 o 63.00288 14.09877 63.17664       28.71322 33.42102      42.03155 89.21349       39.31744 51.74118 20.42913 74.26458 19.43585 -22.52340      28.19755 
1 1 1 -13 27 13 o 101.4317 11.14713 154.8254       29.24981 191.5596      42.82053 122.6919       40.04933 114.3622 13.90549 88.50111 17.42617 25.86108       22.29426 
1 1 1 -13 27 14 o 75.51598 12.68293 92.28930       28.54378 145.2003      40.48640 39.99795       40.24865 98.24134 15.30494 52.79062 20.22833 45.45072       25.36585 
1 1 1 -13 27 15 o 69.98365 14.28276 84.17219       29.47155 111.0140      42.20986 58.63931       41.16782 81.02805 19.56716 58.93925 20.81143 22.08881       28.56553 
1 1 1 -13 27 16 o 48.19006 13.67837 21.51165       30.55437 63.33225      42.61454 -22.73264      43.83200 59.43205 21.15369 36.94806 17.34684 22.48400       27.35674 
1 1 1 -13 27 17 o 49.36326 14.34976 38.12101       30.72122 43.02162      43.11988 33.06911       43.78038 50.77636 20.47492 47.95016 20.11071 2.826195       28.69953 
1 1 1 -13 27 18 o 37.79924 12.48393 -9.662597      31.89417 9.170428      44.30073 -29.92846      45.95507 40.78452 18.52547 34.81397 16.73921 5.970543       24.96787 
1 1 1 -13 29 1  o 61.05095 10.58656 67.37756       18.83170 86.95990      23.75892 34.28523       30.88575 76.00394 11.60933 46.09795 17.70662 29.90599       21.17312 
1 1 1 -13 29 2  o 52.29916 12.51497 46.03524       20.69985 41.02786      26.91320 53.28784       32.38969 49.59203 16.86132 55.00629 18.49847 -5.414261      25.02994 
1 1 1 -13 29 3  o 146.6804 6.011238 304.4823       23.42739 302.6993      30.73870 306.9533       36.18664 146.7627 7.778332 146.5981 9.167195 0.1645508      12.02248 
1 1 1 -13 29 4  o 36.22051 11.16716 -2.098864      21.34320 -22.22247     28.97986 21.75477       31.55155 29.64099 13.97483 42.80004 17.42201 -13.15905      22.33433 
1 1 1 -13 29 5  o 136.2301 6.551245 264.8739       23.90261 272.9641      32.52914 255.3790       35.24017 138.9365 8.695065 133.5237 9.801585 5.412827       13.10249 
1 1 1 -13 29 6  o 41.44336 11.53273 12.15820       22.06944 43.35603      29.66988 -26.48275      33.02003 51.64793 17.70312 31.23879 14.78564 20.40914       23.06546 
1 1 1 -13 29 7  o 54.45200 13.14961 49.00898       23.06590 43.84452      30.98409 55.42910       34.54604 51.89425 18.07378 57.00975 19.10465 -5.115501      26.29922 
1 1 1 -13 29 8  o 106.6882 8.751626 170.0448       24.89681 181.5620      33.88359 156.5304       36.70411 111.4752 11.28828 101.9012 13.37679 9.574028       17.50325 
1 1 1 -13 29 9  o 56.69248 13.03628 55.20026       24.27979 74.10110      32.76437 32.17897       36.15979 65.87298 17.97238 47.51199 18.88842 18.36099       26.07257 
1 1 1 -13 29 10 o 33.95092 11.21050 -17.34894      24.84844 -19.27181     32.37871 -14.59387      38.75718 31.97364 14.97867 35.92820 16.68355 -3.954559      22.42100 
1 1 1 -13 29 11 o 53.91454 13.74797 45.95770       26.48085 22.11616      34.51895 80.05469       41.28083 43.02629 17.93670 64.80277 20.83990 -21.77648      27.49594 
1 1 1 -13 29 12 o 45.78587 13.29858 27.37008       27.06507 7.202917      36.78967 51.16031       39.95790 38.95262 17.35246 52.61911 20.15692 -13.66649      26.59717 
1 1 1 -13 29 13 o 50.88181 13.90400 49.08725       27.01283 50.80508      35.49372 46.72268       41.64264 51.72057 19.17297 50.04306 20.14155 1.677505       27.80800 
1 1 1 -13 29 14 o 39.44141 12.48085 9.178215       26.95786 -1.325658     35.48853 23.50767       41.45033 35.73323 16.36430 43.14958 18.84929 -7.416348      24.96170 
1 1 1 -12 0  1  o 458.9697 7.118165 2838.765       87.81711 2782.583      121.5807 2900.048       126.9794 454.2277 9.951272 463.7116 10.18063 -0.000000      0.000000 
1 1 1 -12 0  2  o 94.37991 5.198419 121.9505       12.92992 123.4179      19.54115 120.8077       17.24474 94.79185 7.776289 93.96796 6.900982 -0.000000      0.000000 
1 1 1 -12 0  3  o 322.9712 5.260485 1406.799       45.69209 1402.916      64.35090 1410.747       64.88921 322.5227 7.418741 323.4197 7.460099 -0.000000      0.000000 
1 1 1 -12 0  4  o 715.1250 10.76921 6899.556       207.1586 6892.451      292.5509 6906.701       293.3839 714.7567 15.21613 715.4934 15.24377 -0.000000      0.000000 
1 1 1 -12 0  5  o 713.4956 10.73598 6864.367       205.9691 6754.802      286.4997 6981.569       296.3170 707.6102 15.05187 719.3809 15.31294 -0.000000      0.000000 
1 1 1 -12 0  6  o 132.3270 3.931938 236.9970       13.89877 236.8024      18.83942 237.2293       20.58848 132.2986 5.307868 132.3554 5.802334 -0.000000      0.000000 
1 1 1 -12 0  7  o 599.0852 9.045583 4815.576       145.1744 4577.318      194.9833 5111.949       217.4673 582.5516 12.44305 615.6188 13.13243 -0.000000      0.000000 
1 1 1 -12 0  8  o 210.8154 4.043058 599.4561       22.89788 607.1332      33.06364 592.3806       31.74178 212.1077 5.798898 209.5230 5.635430 -0.000000      0.000000 
1 1 1 -12 0  9  o 617.6337 9.345719 5126.857       154.8172 5380.284      229.7043 4915.915       209.5677 631.5610 13.52135 603.7065 12.90516 -0.000000      0.000000 
1 1 1 -12 0  10 o 699.7652 10.56625 6565.710       197.9779 6217.214      265.1017 7005.148       297.6891 678.9061 14.51670 720.6243 15.35735 -0.000000      0.000000 
1 1 1 -12 0  11 o 137.2936 4.505510 252.1901       16.16356 241.4978      20.49850 269.7673       26.28204 133.5574 5.723856 141.0297 6.959594 -0.000000      0.000000 
1 1 1 -12 0  12 o 756.9291 11.38363 7705.082       231.1426 7400.254      313.2355 8069.509       342.4901 740.5656 15.72411 773.2925 16.46514 -0.000000      0.000000 
1 1 1 -12 0  13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  14 o 247.6080 4.239129 823.1486       28.14503 879.1999      41.78504 776.5995       38.07879 255.2926 6.086352 239.9234 5.902302 -0.000000      0.000000 
1 1 1 -12 0  15 o 521.5597 7.937257 3668.347       111.2314 3562.583      153.0223 3786.839       161.9687 513.6110 11.07626 529.5084 11.37175 -0.000000      0.000000 
1 1 1 -12 0  16 o 294.0618 4.851519 1164.713       38.26324 1198.059      56.55161 1136.558       51.96382 297.9206 7.058492 290.2029 6.657825 -0.000000      0.000000 
1 1 1 -12 0  17 o 142.1101 4.465430 273.3862       16.85717 276.6237      25.67673 270.9337       22.34772 142.7896 6.712000 141.4307 5.891460 -0.000000      0.000000 
1 1 1 -12 0  18 o 32.99089 11.71746 21.57784       13.97435 8.534018      23.36834 28.83911       17.43538 27.25413 16.67911 38.72765 16.46216 -0.000000      0.000000 
1 1 1 -12 0  19 o 256.1656 4.863369 888.6737       33.35077 864.3902      49.08162 909.5029       45.45689 252.8515 7.222245 259.4799 6.515261 -0.000000      0.000000 
1 1 1 -12 0  20 o 28.79883 12.72224 6.137223       18.72409 12.63918      33.48688 3.179789       22.58449 32.75064 20.00684 24.84702 15.72092 -0.000000      0.000000 
1 1 1 -12 0  21 o 400.7177 6.626117 2165.970       71.15915 2209.197      105.5673 2129.974       96.33382 404.3309 9.709012 397.1044 9.019799 -0.000000      0.000000 
1 1 1 -12 0  22 o 121.9987 7.682946 209.0798       22.87186 195.8009      39.89817 215.5794       27.91375 118.3601 12.90861 125.6372 8.335378 -0.000000      0.000000 
1 1 1 -12 0  23 o 268.5635 5.687787 978.5347       40.78046 937.5944      60.48195 1012.663       55.22099 263.3127 8.550852 273.8143 7.502439 -0.000000      0.000000 
1 1 1 -12 0  24 o 246.2177 7.430751 819.4103       49.16307 0.000000      0.000000 819.4103       49.16307 246.2177 7.430751 246.2177 7.430751 -0.000000      0.000000 
1 1 1 -12 0  25 o 241.2907 7.648997 787.8538       49.58371 0.000000      0.000000 787.8538       49.58371 241.2907 7.648997 241.2907 7.648997 -0.000000      0.000000 
1 1 1 -12 0  26 o 188.9506 9.247390 485.8282       46.79207 0.000000      0.000000 485.8282       46.79207 188.9506 9.247390 188.9506 9.247390 -0.000000      0.000000 
1 1 1 -12 0  27 f 117.7655 18.04082 202.1937       53.21917 0.000000      0.000000 202.1937       53.21917 117.7655 18.04082 117.7655 18.04082 -0.000000      0.000000 
1 1 1 -12 0  28 o 135.4950 21.14091 271.1574       71.53545 0.000000      0.000000 271.1574       71.53545 135.4950 21.14091 135.4950 21.14091 -0.000000      0.000000 
1 1 1 -12 0  29 o 22.40927 16.33905 -126.5307      58.30518 0.000000      0.000000 -126.5307      58.30518 22.40927 16.33905 22.40927 16.33905 -0.000000      0.000000 
1 1 1 -12 0  30 o 31.52048 21.06613 -10.85079      49.21793 0.000000      0.000000 -10.85079      49.21793 31.52048 21.06613 31.52048 21.06613 -0.000000      0.000000 
1 1 1 -12 0  31 o 84.27917 26.25585 131.1620       52.22802 0.000000      0.000000 131.1620       52.22802 84.27917 26.25585 84.27917 26.25585 -0.000000      0.000000 
1 1 1 -12 0  32 o 95.62997 22.68421 158.3623       50.70679 0.000000      0.000000 158.3623       50.70679 95.62997 22.68421 95.62997 22.68421 -0.000000      0.000000 
1 1 1 -12 0  33 o 26.50352 18.79766 -44.47178      56.35865 0.000000      0.000000 -44.47178      56.35865 26.50352 18.79766 26.50352 18.79766 -0.000000      0.000000 
1 1 1 -12 2  1  o 210.5265 2.957549 596.6665       16.76387 584.8745      23.53854 608.8036       23.88054 208.4160 4.194353 212.6369 4.170826 -4.220901      5.915098 
1 1 1 -12 2  2  o 1002.739 10.61761 13548.84       286.6169 13731.56      410.5978 13375.18       400.2743 1009.323 15.10786 996.1538 14.92272 13.16943       21.23523 
1 1 1 -12 2  3  o 641.2201 6.847342 5537.870       118.2175 5501.089      166.0020 5575.719       168.3931 639.0612 9.646894 643.3790 9.720173 -4.317871      13.69468 
1 1 1 -12 2  4  o 1182.892 12.49703 18872.74       398.0197 19010.78      566.9803 18738.62       558.8768 1187.149 17.73697 1178.636 17.60974 8.512207       24.99406 
1 1 1 -12 2  5  o 1153.860 12.18407 17957.85       378.5450 18039.69      537.6897 17877.43       533.0278 1156.462 17.26701 1151.258 17.19467 5.203613       24.36814 
1 1 1 -12 2  6  o 388.1309 4.260349 2025.107       44.46734 1963.046      61.02964 2095.339       64.92345 381.8045 5.936307 394.4573 6.112491 -12.65283      8.520698 
1 1 1 -12 2  7  o 1094.684 11.55893 16142.45       340.4106 16574.06      494.1359 15752.59       469.6255 1108.571 16.55387 1080.796 16.13706 27.77515       23.11786 
1 1 1 -12 2  8  o 394.0744 4.333227 2089.918       45.95872 2133.211      66.24137 2049.735       63.81727 398.0061 6.180964 390.1426 6.074792 7.863525       8.666453 
1 1 1 -12 2  9  o 1181.342 12.48022 18817.20       396.9643 18678.13      557.4425 18960.28       565.4272 1176.920 17.59016 1185.763 17.70905 -8.843262      24.96045 
1 1 1 -12 2  10 o 593.9099 8.952662 4750.895       143.1713 4750.895      143.1713 0.000000       0.000000 593.9099 8.952662 ?        ?        ?              ?        
1 1 1 -12 2  11 o 692.8072 10.42789 6466.598       194.5326 6466.598      194.5326 0.000000       0.000000 692.8072 10.42789 ?        ?        ?              ?        
1 1 1 -12 2  12 o 724.3237 7.706710 7068.156       150.2815 6983.345      210.1062 7156.997       215.0399 719.8796 10.83916 728.7679 10.95838 -8.888245      15.41342 
1 1 1 -12 2  13 o 465.2267 5.043943 2913.860       63.14806 2959.694      91.16189 2871.580       87.55684 468.7388 7.222691 461.7147 7.042599 7.024109       10.08789 
1 1 1 -12 2  14 o 208.2800 2.854469 584.1342       15.94486 585.0179      23.63689 583.3962       21.59946 208.4220 4.211758 208.1380 3.853969 0.2840271      5.708939 
1 1 1 -12 2  15 o 332.2252 3.761607 1486.243       33.63848 1447.173      46.83106 1527.888       48.34926 327.7183 5.307010 336.7321 5.332391 -9.013824      7.523214 
1 1 1 -12 2  16 o 317.3602 3.656122 1357.308       31.22367 1361.107      44.99018 1353.777       43.36834 317.7828 5.257799 316.9375 5.081779 0.8453369      7.312244 
1 1 1 -12 2  17 o 265.6462 3.290845 951.1367       23.52769 951.0674      33.80850 951.2017       32.76250 265.6321 4.726742 265.6602 4.580018 -0.2804565E-01 6.581690 
1 1 1 -12 2  18 o 157.8893 3.130867 336.9149       13.26797 323.5375      19.31930 348.8571       18.25352 154.9055 4.631706 160.8731 4.213859 -5.967529      6.261733 
1 1 1 -12 2  19 o 210.9921 3.222425 600.3796       18.29281 595.7690      26.35073 604.6685       25.41455 210.2035 4.655532 211.7807 4.456691 -1.577286      6.444849 
1 1 1 -12 2  20 o 204.5612 3.532348 566.0673       19.38357 533.5832      28.12683 595.4489       26.74998 198.9389 5.250707 210.1835 4.726521 -11.24460      7.064695 
1 1 1 -12 2  21 o 308.0928 4.655189 1293.068       37.06206 1233.659      61.04184 1327.755       46.64354 302.3485 7.497842 313.8370 5.519554 -11.48843      9.310377 
1 1 1 -12 2  22 o 174.8372 4.561633 402.1768       20.79603 451.3409      34.77208 374.7989       25.94814 182.9277 7.059398 166.7466 5.779175 16.18117       9.123265 
1 1 1 -12 2  23 o 499.5714 6.829213 3316.021       85.32609 3519.086      154.2072 3226.416       102.4362 510.1277 11.22644 489.0151 7.779432 21.11261       13.65843 
1 1 1 -12 2  24 o 237.1277 4.571028 765.0807       28.63225 722.9604      44.38918 795.0919       37.46897 231.4385 7.122921 242.8170 5.730722 -11.37849      9.142056 
1 1 1 -12 2  25 o 128.6575 6.200188 222.0606       21.37351 253.9221      31.92835 196.1889       28.77103 136.9519 8.658153 120.3631 8.877257 16.58881       12.40038 
1 1 1 -12 2  26 o 147.3340 7.014636 297.7993       27.52394 330.9316      37.79434 260.3840       40.16300 156.2609 8.982411 138.4070 10.77668 17.85399       14.02927 
1 1 1 -12 2  27 o 109.0858 12.75335 167.9951       36.29116 197.9457      52.42117 140.4281       50.29193 119.5969 16.27809 98.57478 19.63710 21.02213       25.50670 
1 1 1 -12 2  28 o 150.7559 12.93000 318.4909       51.71590 369.9914      71.97958 263.5385       74.35280 163.9353 16.30622 137.5765 20.07104 26.35889       25.85999 
1 1 1 -12 2  29 o 218.5005 8.107674 663.8908       47.31445 671.0319      63.26660 654.8282       71.27190 220.2829 10.66621 216.7180 12.21349 3.564896       16.21535 
1 1 1 -12 2  30 o 72.57596 14.83692 81.89299       34.99367 130.2211      47.50301 24.54627       51.74582 91.72340 19.81262 53.42852 22.09066 38.29488       29.67385 
1 1 1 -12 2  31 o 75.65498 15.48399 93.34492       33.61015 68.01224      43.70918 129.9933       52.57259 64.08646 21.48944 87.22350 22.29842 -23.13704      30.96797 
1 1 1 -12 2  32 f 46.34117 14.01721 6.720517       33.44632 -35.51656     44.96512 59.03284       50.04156 35.27567 16.85301 57.40667 22.40324 -22.13100      28.03442 
1 1 1 -12 2  33 o 41.71909 13.65553 -0.8963873     35.77452 39.34044      56.08301 -28.50083      46.45248 48.43618 21.50950 35.00200 16.82961 13.43418       27.31107 
1 1 1 -12 4  1  o 536.1037 5.793914 3871.302       83.63779 3882.260      118.4770 3860.415       118.0873 536.8599 8.195770 535.3475 8.191892 1.512451       11.58783 
1 1 1 -12 4  2  o 770.5377 8.194241 8000.219       170.0138 7989.031      240.0256 8011.484       240.8482 769.9977 11.57670 771.0778 11.60010 -1.080017      16.38848 
1 1 1 -12 4  3  o 608.1163 6.508352 4981.005       106.5697 4970.098      150.2170 4992.059       151.2127 607.4466 9.183909 608.7860 9.224445 -1.339417      13.01670 
1 1 1 -12 4  4  o 892.1943 9.460117 10706.11       226.9279 10375.13      310.8343 11083.86       332.0658 877.4702 13.15567 906.9185 13.59792 -29.44824      18.92023 
1 1 1 -12 4  5  o 754.0564 8.000131 7659.338       162.4223 7597.613      227.8732 7723.083       231.5711 750.9705 11.26904 757.1422 11.35857 -6.171692      16.00026 
1 1 1 -12 4  6  o 750.8917 7.968031 7596.054       161.1057 7585.679      227.5649 7606.479       228.1118 750.3779 11.26268 751.4055 11.27431 -1.027588      15.93606 
1 1 1 -12 4  7  o 1028.900 10.87676 14269.65       301.3375 14297.89      427.0947 14241.65       425.2227 1029.912 15.40071 1027.888 15.36340 2.024536       21.75353 
1 1 1 -12 4  8  f 658.8674 7.013597 5845.502       124.3952 5770.461      173.5086 5924.866       178.4378 654.5203 9.844974 663.2145 9.991930 -8.694153      14.02719 
1 1 1 -12 4  9  o 782.1573 11.73458 8242.610       247.1411 0.000000      0.000000 8242.610       247.1411 ?        ?        782.1573 11.73458 ?              ?        
1 1 1 -12 4  10 o 417.7686 4.567054 2349.813       51.36258 2326.105      71.70095 2374.802       73.61206 415.6057 6.407079 419.9316 6.510090 -4.325989      9.134109 
1 1 1 -12 4  11 o 822.2864 8.716523 9110.022       192.9377 9247.014      277.0067 8980.946       268.8847 828.2811 12.42022 816.2917 12.23312 11.98938       17.43305 
1 1 1 -12 4  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4  13 o 825.0057 8.763507 9181.819       194.6622 9249.157      277.4585 9116.543       273.1792 827.9772 12.44504 822.0342 12.34168 5.942993       17.52701 
1 1 1 -12 4  14 o 583.9612 8.820522 4599.457       138.6953 0.000000      0.000000 4599.457       138.6953 ?        ?        583.9612 8.820522 ?              ?        
1 1 1 -12 4  15 o 534.5443 5.794885 3824.155       82.95899 3572.422      110.5444 4148.717       125.5209 514.5973 7.977852 554.4913 8.406941 -39.89404      11.58977 
1 1 1 -12 4  16 o 363.8357 4.182671 1771.539       40.60326 1883.064      62.49726 1690.086       53.41078 373.6361 6.211962 354.0353 5.602720 19.60083       8.365342 
1 1 1 -12 4  17 o 184.7076 3.205465 461.5049       15.63335 451.3082      24.51193 468.4967       20.29741 182.9597 4.975523 186.4556 4.042796 -3.495926      6.410931 
1 1 1 -12 4  18 o 196.9179 3.962155 543.6046       19.38421 467.2334      33.51381 581.9979       23.76223 186.0361 6.690262 207.7997 4.246772 -21.76357      7.924310 
1 1 1 -12 4  19 o 95.31225 6.825462 134.2227       14.20514 103.6280      28.99944 143.8813       16.29383 87.34960 12.32950 103.2749 5.859290 -15.92529      13.65092 
1 1 1 -12 4  20 o 221.2593 4.133796 659.6800       23.12510 661.4885      40.39884 658.7986       28.20270 221.4252 6.775767 221.0935 4.737305 0.3317413      8.267592 
1 1 1 -12 4  21 o 164.5704 4.222997 367.8855       18.22729 352.8671      28.98123 377.7138       23.44472 161.7410 6.654468 167.3998 5.201239 -5.658798      8.445994 
1 1 1 -12 4  22 o 237.6280 4.263805 751.9901       26.22609 794.1089      44.12867 728.9898       32.60992 242.6720 6.753326 232.5839 5.206989 10.08812       8.527611 
1 1 1 -12 4  23 o 141.2765 5.108245 266.7549       19.14831 283.2395      30.11429 255.5663       24.80966 144.8880 7.718925 137.6649 6.692897 7.223068       10.21649 
1 1 1 -12 4  24 o 161.3451 5.002479 349.6966       21.54413 365.2894      33.00203 338.1163       28.44037 164.4352 7.453536 158.2549 6.674128 6.180298       10.00496 
1 1 1 -12 4  25 o 52.24326 12.20971 36.00837       19.93344 36.20288      29.27733 35.84027       27.21571 52.60917 17.58777 51.87734 16.94045 0.7318268      24.41943 
1 1 1 -12 4  26 o 158.7341 6.238505 341.1729       26.64799 348.2252      38.50732 334.6917       36.91497 160.2956 8.921509 157.1726 8.722526 3.122971       12.47701 
1 1 1 -12 4  27 o 63.90702 15.30479 50.28481       32.77402 79.70903      47.62975 23.82454       45.16717 74.44791 22.13362 53.36613 21.14355 21.08178       30.60959 
1 1 1 -12 4  28 o 613.3212 14.07546 5124.268       232.4523 5124.268      232.4523 0.000000       0.000000 613.3212 14.07546 ?        ?        ?              ?        
1 1 1 -12 4  29 o 82.16533 16.63494 98.76630       38.62407 71.59306      49.30430 141.9329       62.14239 69.33752 22.80893 94.99313 24.22060 -25.65561      33.26987 
1 1 1 -12 4  30 o 117.9792 11.59301 200.1147       35.26315 193.3876      43.73912 212.6069       59.60414 116.4242 13.95223 119.5343 18.51827 -3.110138      23.18601 
1 1 1 -12 4  31 o 71.38486 16.09862 83.09047       34.79452 58.71547      44.25104 122.5687       56.31575 60.12974 21.53962 82.63998 23.93131 -22.51024      32.19725 
1 1 1 -12 4  32 o 36.29490 12.21514 -26.91485      31.75970 -16.18467     38.79181 -48.73045      55.31211 35.45069 16.53793 37.13911 17.98153 -1.688416      24.43027 
1 1 1 -12 6  1  o 725.5337 7.749297 7094.008       151.3617 7014.725      211.5303 7177.197       216.6782 721.3860 10.88984 729.6813 11.02805 -8.295227      15.49859 
1 1 1 -12 6  2  o 966.4337 10.25159 12593.26       266.7265 12454.96      372.9155 12738.12       381.6528 961.0123 14.41113 971.8551 14.58423 -10.84283      20.50319 
1 1 1 -12 6  3  o 1346.135 14.24253 24465.50       516.2171 24308.46      725.2213 24626.79       734.9587 1341.769 20.07286 1350.500 20.21087 -8.730225      28.48507 
1 1 1 -12 6  4  o 700.0485 7.460257 6600.566       140.5867 6514.283      196.0633 6691.879       201.6957 695.3450 10.47159 704.7521 10.62862 -9.407104      14.92051 
1 1 1 -12 6  5  o 578.5929 6.202156 4507.218       96.59389 4433.006      134.4823 4586.306       138.8302 573.6775 8.705907 583.5083 8.835956 -9.830811      12.40431 
1 1 1 -12 6  6  o 595.9193 6.376422 4775.990       102.1908 4928.632      149.0516 4640.597       140.3775 604.8855 9.151240 586.9532 8.881995 17.93231       12.75284 
1 1 1 -12 6  7  o 210.1353 2.849669 593.0537       16.07955 575.5691      21.81320 613.8611       23.79577 206.7525 3.918189 213.5181 4.138870 -6.765579      5.699337 
1 1 1 -12 6  8  o 449.7618 4.869087 2713.115       58.78175 2592.034      79.41346 2859.851       87.42234 438.7114 6.722516 460.8121 7.045554 -22.10071      9.738174 
1 1 1 -12 6  9  o 412.3012 4.491706 2286.694       49.82016 2347.788      72.35866 2231.627       68.69658 417.5297 6.436056 407.0728 6.267287 10.45685       8.983413 
1 1 1 -12 6  10 o 252.1549 3.041862 855.7316       20.64423 869.8477      29.72679 842.5816       28.69144 254.1621 4.343639 250.1477 4.259636 4.014420       6.083724 
1 1 1 -12 6  11 o 340.5816 3.839812 1560.884       35.19571 1523.330      48.82253 1601.516       50.78389 336.3208 5.391171 344.8423 5.469178 -8.521484      7.679625 
1 1 1 -12 6  12 o 180.5155 2.916180 440.0083       14.13469 417.0055      20.41203 461.2003       19.59212 175.9684 4.307924 185.0626 3.931693 -9.094131      5.832360 
1 1 1 -12 6  13 o 241.6453 3.262422 786.2251       21.16950 790.9261      31.15531 782.1931       28.85342 242.3117 4.775010 240.9789 4.446671 1.332840       6.524845 
1 1 1 -12 6  14 o 92.26662 4.694439 111.5877       11.13742 125.3251      19.26137 104.6876       13.65085 96.39848 7.420508 88.13476 5.752137 8.263725       9.388878 
1 1 1 -12 6  15 o 248.4287 4.476236 851.8047       26.40218 791.1541      50.37579 874.7739       31.00106 242.0771 7.728312 254.7803 4.518844 -12.70317      8.952473 
1 1 1 -12 6  16 o 207.5372 4.697624 606.5112       21.53083 537.1116      45.06299 627.0410       24.50941 199.3657 8.394330 215.7086 4.219704 -16.34291      9.395247 
1 1 1 -12 6  17 o 90.54535 7.370146 92.73367       13.25055 140.7589      35.99104 85.20348       14.25156 101.6576 13.14835 79.43312 6.663117 22.22445       14.74029 
1 1 1 -12 6  18 o 81.08883 9.659440 103.2276       13.90802 75.48238      35.72021 108.1855       15.09960 72.65678 18.27513 89.52088 6.264085 -16.86411      19.31888 
1 1 1 -12 6  19 o 196.9125 4.403337 506.2017       20.10264 556.4426      41.46634 490.7660       22.98422 202.9989 7.586101 190.8261 4.473098 12.17276       8.806675 
1 1 1 -12 6  20 o 230.5456 4.142651 712.8798       24.18908 727.6406      42.29883 705.7070       29.48630 232.2543 6.763651 228.8370 4.785316 3.417328       8.285302 
1 1 1 -12 6  21 o 137.2740 5.079013 248.5968       17.98123 273.4014      30.76514 235.7272       22.16028 142.3260 8.027703 132.2220 6.224267 10.10400       10.15803 
1 1 1 -12 6  22 o 219.9377 4.363317 647.2818       24.97854 670.7299      41.30178 633.7596       31.36464 223.0201 6.877669 216.8554 5.371390 6.164749       8.726635 
1 1 1 -12 6  23 o 252.2759 4.461152 858.8845       29.68876 854.4443      46.89236 861.8550       38.35515 251.6927 6.919076 252.8592 5.633283 -1.166519      8.922303 
1 1 1 -12 6  24 o 202.5703 4.603263 554.7800       24.59610 549.9656      38.82232 558.0082       31.79035 201.7784 7.145349 203.3623 5.805524 -1.583893      9.206526 
1 1 1 -12 6  25 o 200.4011 4.889914 541.4873       26.16138 553.3954      39.87152 532.4847       34.66749 202.2821 7.320182 198.5201 6.485366 3.762009       9.779828 
1 1 1 -12 6  26 o 199.7630 6.053343 542.8590       32.24472 529.0438      48.78600 553.5757       42.96795 197.3893 9.178846 202.1367 7.894342 -4.747406      12.10669 
1 1 1 -12 6  27 o 100.4546 13.38888 148.6783       35.20077 115.9581      48.37757 185.4926       51.31501 87.06554 20.90037 113.8436 16.73988 -26.77808      26.77777 
1 1 1 -12 6  28 f 289.3818 7.179090 1138.418       55.63684 1167.314      83.57125 1115.416       74.56197 292.5111 10.61039 286.2526 9.673521 6.258514       14.35818 
1 1 1 -12 6  29 o 46.15455 13.37503 2.143472       30.22643 45.51542      41.55947 -46.56416      44.04169 57.03230 20.81237 35.27679 16.80507 21.75551       26.75005 
1 1 1 -12 6  30 o 167.4594 8.950585 403.3656       37.51906 407.3893      45.64920 394.9889       65.86541 170.6641 9.933621 164.2546 14.89211 6.409454       17.90117 
1 1 1 -12 6  31 o 51.25769 15.27494 17.10973       35.31418 -9.725300     43.68081 67.74466       60.00186 40.00508 18.25772 62.51031 24.49389 -22.50523      30.54988 
1 1 1 -12 6  32 o 45.05632 14.30480 -7.010313      38.36358 -65.02456     50.66185 70.97540       58.73828 32.88703 16.19222 57.22561 23.58646 -24.33858      28.60959 
1 1 1 -12 8  1  o 499.1975 5.451184 3358.911       73.27043 3385.372      104.1998 3333.031       103.0498 501.1411 7.721889 497.2539 7.696365 3.887146       10.90237 
1 1 1 -12 8  2  o 282.2385 3.419733 1072.299       25.97157 1058.601      35.97828 1087.202       37.52950 280.3589 4.765874 284.1180 4.905582 -3.759125      6.839466 
1 1 1 -12 8  3  o 543.1035 5.867471 3965.337       85.64582 3833.186      116.9062 4118.429       125.8283 533.3678 8.140054 552.8392 8.452714 -19.47137      11.73494 
1 1 1 -12 8  4  o 427.1718 5.855722 2454.389       62.77383 2469.918      111.3498 2447.155       76.00262 428.1047 9.659528 426.2390 6.622045 1.865753       11.71144 
1 1 1 -12 8  5  o 202.9116 2.826522 553.4730       15.42927 585.8049      22.32086 523.8871       21.35194 208.5772 3.974300 197.2461 4.020181 11.33112       5.653045 
1 1 1 -12 8  6  f 97.70728 3.379699 128.8379       8.366689 129.3886      10.23822 127.7310       14.51663 98.02582 3.878828 97.38875 5.535715 0.6370697      6.759397 
1 1 1 -12 8  7  o 466.7563 5.052876 2931.921       63.45520 2998.448      91.95430 2871.438       87.67685 471.8036 7.238146 461.7091 7.052339 10.09457       10.10575 
1 1 1 -12 8  8  o 528.6166 5.676658 3764.505       80.79377 3782.307      115.1453 3747.241       113.3941 529.8455 8.070745 527.3876 7.985040 2.457886       11.35332 
1 1 1 -12 8  9  o 28.12876 6.695919 8.810748       7.154352 -9.531151     12.92523 16.91268       8.590340 21.46861 9.847912 34.78892 9.075238 -13.32031      13.39184 
1 1 1 -12 8  10 o 118.0918 3.186720 189.2745       9.803689 181.9119      15.87344 193.8148       12.46528 116.2157 5.072507 119.9680 3.858810 -3.752243      6.373440 
1 1 1 -12 8  11 o 217.1978 2.981460 636.0101       17.41415 620.4077      25.08731 650.5184       24.19174 214.6220 4.341067 219.7735 4.087976 -5.151520      5.962920 
1 1 1 -12 8  12 o 157.9231 4.158429 350.8845       15.35855 306.0557      29.47812 367.5878       17.99378 150.6517 7.266788 165.1944 4.045233 -14.54277      8.316857 
1 1 1 -12 8  13 o 135.9181 5.163739 258.1911       15.28296 233.9201      32.81437 264.9141       17.27041 131.6142 9.259299 140.2219 4.574075 -8.607773      10.32748 
1 1 1 -12 8  14 o 265.7603 4.506446 936.2736       28.58460 988.4946      55.87485 917.7615       33.26754 270.5748 7.669123 260.9459 4.734638 9.628845       9.012893 
1 1 1 -12 8  15 o 41.32965 11.51021 12.22159       14.62594 20.82818      36.56264 10.58201       15.95839 49.16671 19.16023 33.49259 12.76029 15.67412       23.02041 
1 1 1 -12 8  16 o 290.1568 4.885562 1120.862       32.70059 1168.734      67.10715 1105.955       37.44740 293.9284 8.478984 286.3851 4.856102 7.543274       9.771125 
1 1 1 -12 8  17 o 62.72678 11.26723 54.03131       14.88822 51.18325      39.73381 54.49650       16.05811 62.02358 20.47940 63.42997 9.401920 -1.406391      22.53446 
1 1 1 -12 8  18 o 162.6663 5.831506 367.2037       19.48978 342.4974      45.48599 372.7596       21.57019 159.0375 10.62171 166.2951 4.817159 -7.257599      11.66301 
1 1 1 -12 8  19 o 297.1326 5.124669 1235.693       37.58201 1076.171      66.01682 1312.177       45.71218 282.2715 8.685687 311.9937 5.441302 -29.72220      10.24934 
1 1 1 -12 8  20 o 72.00981 10.95109 77.68868       17.03130 60.42955      38.46312 81.89794       18.99495 66.15776 19.94043 77.86187 9.060037 -11.70411      21.90217 
1 1 1 -12 8  21 o 415.8937 5.726295 2342.670       58.71148 2312.166      106.9994 2355.810       70.22790 413.7603 9.603931 418.0272 6.239098 -4.266876      11.45259 
1 1 1 -12 8  22 o 70.41436 9.713991 69.19122       17.25272 66.21032      28.95904 70.83138       21.48104 68.45536 15.99824 72.37336 11.02283 -3.917999      19.42798 
1 1 1 -12 8  23 o 163.3791 5.192754 360.7768       21.58926 360.0103      37.18082 361.1667       26.51757 163.1578 8.463066 163.6004 6.019577 -0.4426117     10.38551 
1 1 1 -12 8  24 o 98.37478 8.181693 133.5570       20.89243 124.1691      33.76346 139.3820       26.59566 95.38281 13.14600 101.3667 9.743880 -5.983932      16.36339 
1 1 1 -12 8  25 o 173.2218 6.109925 403.3954       28.36619 375.8882      37.94521 438.2403       42.70741 166.6007 8.458564 179.8428 8.819153 -13.24205      12.21985 
1 1 1 -12 8  26 o 132.0549 9.608916 243.0457       33.40856 261.8037      44.02507 217.5779       51.29819 138.4597 11.80846 125.6502 15.16197 12.80949       19.21783 
1 1 1 -12 8  27 o 259.8560 11.16140 916.5043       78.09705 916.5043      78.09705 0.000000       0.000000 259.8560 11.16140 ?        ?        ?              ?        
1 1 1 -12 8  28 o 103.4042 15.45136 141.4014       41.25406 93.06944      49.80806 247.0008       73.62290 77.66678 22.51049 129.1416 21.17206 -51.47487      30.90273 
1 1 1 -12 8  29 o 124.8055 11.57112 226.8413       37.30764 227.9291      46.85045 224.9561       61.67730 126.5799 13.74566 123.0311 18.61774 3.548813       23.14225 
1 1 1 -12 8  30 o 54.45661 15.59218 34.33712       37.02947 57.50092      49.82405 5.755199       55.34518 60.58734 22.66527 48.32589 21.41846 12.26145       31.18437 
1 1 1 -12 8  31 o 114.8128 12.13416 211.6500       37.35526 198.6093      50.11680 227.9517       56.03363 111.3486 16.71534 118.2771 17.59401 -6.928452      24.26833 
1 1 1 -12 8  32 o 47.89081 15.83510 22.45545       47.41531 3.050183      57.94467 61.78139       82.48846 42.58000 19.97623 53.20161 24.57544 -10.62162      31.67021 
1 1 1 -12 10 1  o 113.3715 5.206065 169.3553       10.72321 167.9503      11.48076 178.9600       30.01746 111.6584 3.818525 115.0845 9.686656 -3.426033      10.41213 
1 1 1 -12 10 2  o 255.1877 7.366147 878.2366       50.61549 0.000000      0.000000 878.2366       50.61549 ?        ?        255.1877 7.366147 ?              ?        
1 1 1 -12 10 3  o 310.8394 3.648646 1297.911       30.46178 1249.138      41.35428 1355.766       45.04029 304.4805 5.044029 317.1983 5.273354 -12.71780      7.297293 
1 1 1 -12 10 4  o 380.5692 4.270458 1951.726       43.75837 1936.288      61.44331 1967.614       62.33364 379.0435 6.020078 382.0949 6.058539 -3.051331      8.540915 
1 1 1 -12 10 5  o 198.4743 4.014215 530.5594       21.45301 530.5594      21.45301 0.000000       0.000000 198.4743 4.014215 ?        ?        ?              ?        
1 1 1 -12 10 6  o 204.1273 2.879204 561.5738       15.77963 556.3073      23.15830 566.1380       21.55898 203.2301 4.231899 205.0244 3.905163 -1.794296      5.758408 
1 1 1 -12 10 7  o 176.1413 2.815596 417.2540       13.20907 422.0493      20.28164 413.7216       17.40703 177.0139 4.255126 175.2686 3.688392 1.745316       5.631193 
1 1 1 -12 10 8  o 79.44984 6.808490 77.19269       9.441521 96.19670      28.78286 74.90128       9.994530 84.33788 12.67441 74.56179 4.978089 9.776093       13.61698 
1 1 1 -12 10 9  o 521.1041 6.676309 3672.718       82.55135 3651.742      160.4673 3680.268       96.26707 519.7517 11.46587 522.4565 6.842964 -2.704773      13.35262 
1 1 1 -12 10 10 o 201.0425 4.117404 553.4257       19.02012 528.0909      38.40858 561.6571       21.89301 197.8880 7.208178 204.1971 3.981736 -6.309113      8.234807 
1 1 1 -12 10 11 o 35.69379 9.840944 7.458729       11.43734 20.54691      25.40460 4.131552       12.80886 43.92296 16.23294 27.46462 11.12962 16.45834       19.68189 
1 1 1 -12 10 12 o 26.45595 8.792999 -17.35297      13.31298 -19.10461     27.32649 -16.80784      15.24445 31.32539 14.35084 21.58651 10.16467 9.738886       17.58600 
1 1 1 -12 10 13 o 41.55912 10.55096 8.449370       14.58024 41.62317      28.61341 -3.185148      16.94518 55.36656 17.29566 27.75167 12.08930 27.61489       21.10192 
1 1 1 -12 10 14 o 143.1258 5.295967 283.4838       17.70090 263.2980      34.62939 290.6232       20.59465 139.4590 9.221786 146.7927 5.210347 -7.333740      10.59193 
1 1 1 -12 10 15 o 424.4751 6.238859 2401.868       67.53661 2546.483      117.4622 2330.451       82.54513 433.5836 10.06101 415.3666 7.380342 18.21698       12.47772 
1 1 1 -12 10 16 o 65.95879 10.52525 78.00298       17.16482 18.31142      37.25190 94.09246       19.34029 48.51662 19.20821 83.40097 8.612089 -34.88435      21.05050 
1 1 1 -12 10 17 o 106.9290 8.670464 154.2052       21.70940 156.9758      43.28074 153.2737       25.09460 107.3675 14.97057 106.4905 8.751566 0.8769989      17.34093 
1 1 1 -12 10 18 o 74.89697 11.94042 85.17093       20.31016 61.48478      44.14246 91.53178       22.87529 67.52539 21.53277 82.26854 10.32641 -14.74315      23.88085 
1 1 1 -12 10 19 o 291.9951 5.556477 1137.662       41.14793 1189.715      72.16441 1112.585       50.08829 296.7691 9.030693 287.2210 6.476445 9.548065       11.11295 
1 1 1 -12 10 20 o 163.2107 6.506589 359.8674       23.95897 359.3133      50.22857 360.0307       27.26005 163.0003 11.44403 163.4210 6.194915 -0.4207153     13.01318 
1 1 1 -12 10 21 o 167.7226 6.524652 395.9156       26.07314 344.8838      48.57995 416.5631       30.90079 159.6821 11.29842 175.7632 6.529172 -16.08118      13.04930 
1 1 1 -12 10 22 o 138.5090 7.169602 232.5130       23.64598 320.7822      48.86501 205.5237       27.02024 153.7114 11.80615 123.3067 8.138029 30.40476       14.33920 
1 1 1 -12 10 23 o 174.8995 6.019477 395.4079       26.25746 463.7287      48.68773 367.3872       31.18051 184.9179 9.778161 164.8810 7.023104 20.03687       12.03895 
1 1 1 -12 10 24 o 88.22603 10.63415 109.8445       24.34946 95.05247      35.70476 122.7052       33.29235 81.65252 16.79995 94.79953 13.04232 -13.14701      21.26830 
1 1 1 -12 10 25 o 191.6129 6.623195 496.5934       34.06842 470.5141      46.03914 528.1586       50.65032 186.1118 9.186921 197.1140 9.542921 -11.00223      13.24639 
1 1 1 -12 10 26 o 31.33471 11.13907 -146.9411      39.65397 -181.2779     53.21349 -104.0639      59.46406 27.21836 13.82232 35.45107 17.47165 -8.232710      22.27814 
1 1 1 -12 10 27 o 49.65991 15.85168 -12.39358      47.04251 23.08037      59.48605 -71.61521      76.86002 54.10308 23.09722 45.21675 21.71686 8.886330       31.70337 
1 1 1 -12 10 28 o 83.82429 16.22610 104.4460       37.41953 71.63331      46.52851 164.5298       62.96180 67.48756 22.15550 100.1610 23.71243 -32.67346      32.45220 
1 1 1 -12 10 29 o 66.82434 23.81223 73.25945       54.01383 0.000000      0.000000 73.25945       54.01383 ?        ?        66.82434 23.81223 ?              ?        
1 1 1 -12 10 30 o 69.16400 15.26267 82.26051       36.80533 136.1688      50.73061 22.35227       53.47928 88.29015 21.53207 50.03785 21.63714 38.25230       30.52534 
1 1 1 -12 10 31 o 40.46006 13.47706 -16.75261      38.79444 12.36675      53.74990 -48.41698      56.04956 44.39760 20.25877 36.52252 17.77939 7.875080       26.95411 
1 1 1 -12 12 1  o 197.8362 4.368798 503.9378       18.56243 488.9690      20.59208 568.8387       42.87782 190.4841 4.014746 205.1882 7.760631 -14.70403      8.737596 
1 1 1 -12 12 2  o 277.6113 5.650960 1042.042       42.16783 1022.688      61.14656 1059.594       58.22898 275.1201 8.254035 280.1025 7.720384 -4.982361      11.30192 
1 1 1 -12 12 3  o 207.8710 5.561171 585.7891       30.97143 521.0444      43.96695 649.5610       43.63538 196.3884 8.314328 219.3537 7.387721 -22.96532      11.12234 
1 1 1 -12 12 4  o 139.8733 5.201611 284.9037       12.93574 237.0868      34.91146 292.5134       13.92706 132.3915 9.793198 147.3551 3.510030 -14.96364      10.40322 
1 1 1 -12 12 5  o 394.0628 5.718909 2008.725       53.00421 2280.643      107.7414 1921.902       60.88104 410.6312 9.744228 377.4944 5.989467 33.13675       11.43782 
1 1 1 -12 12 6  o 293.6694 4.590449 1139.608       28.82388 1202.995      65.93179 1124.631       32.04877 298.4366 8.204638 288.9022 4.119809 9.534393       9.180899 
1 1 1 -12 12 7  o 109.2687 6.232522 144.9542       10.68269 182.5756      36.84621 141.5016       11.16212 116.0592 11.79043 102.4781 4.045126 13.58110       12.46504 
1 1 1 -12 12 8  o 270.2939 4.429993 1016.002       27.23605 928.4179      55.16214 1044.237       31.31998 262.2084 7.812878 278.3795 4.178311 -16.17105      8.859986 
1 1 1 -12 12 9  o 143.7494 5.052823 288.2332       14.50871 265.1100      34.96505 293.0427       15.94636 140.0253 9.273513 147.4735 4.015726 -7.448242      10.10565 
1 1 1 -12 12 10 o 261.9396 4.696410 927.0368       31.58327 922.1076      53.35846 929.6952       39.18491 261.3108 7.583375 262.5685 5.542337 -1.257629      9.392820 
1 1 1 -12 12 11 o 252.9180 4.245172 855.0607       24.80693 878.7344      50.62037 847.5784       28.45844 255.0623 7.370479 250.7738 4.214495 4.288437       8.490343 
1 1 1 -12 12 12 o 233.8908 4.765910 738.2012       28.88247 740.9731      47.90868 736.6185       36.20069 234.1375 7.599061 233.6441 5.754117 0.4933929      9.531820 
1 1 1 -12 12 13 o 255.1521 4.792166 877.7846       31.95320 883.7466      51.94767 874.1561       40.52679 255.7634 7.543002 254.5408 5.912913 1.222641       9.584332 
1 1 1 -12 12 14 o 53.55383 10.88824 36.22421       20.36168 -9.079454     30.98045 70.67605       27.01639 36.42249 16.08951 70.68517 14.67457 -34.26268      21.77649 
1 1 1 -12 12 15 o 82.84317 10.45722 105.1461       21.46581 54.29241      32.50688 144.4677       28.58444 62.37745 18.21606 103.3089 10.27563 -40.93145      20.91443 
1 1 1 -12 12 16 o 179.4995 6.114199 440.4525       28.58882 413.6180      45.97768 457.3675       36.50362 174.9072 9.762387 184.0919 7.364070 -9.184692      12.22840 
1 1 1 -12 12 17 o 137.6124 7.361956 258.8156       26.08075 246.7000      43.29784 265.7149       32.67335 134.9611 11.91446 140.2637 8.650974 -5.302597      14.72391 
1 1 1 -12 12 18 o 248.2798 5.693449 843.6961       36.32365 791.2552      60.28413 873.5872       45.51334 242.0411 9.249759 254.5184 6.641039 -12.47729      11.38690 
1 1 1 -12 12 19 o 51.72391 11.40824 38.56529       21.20496 -67.75115     52.17754 59.59850       23.20791 38.32738 18.26747 65.12044 13.67081 -26.79306      22.81647 
1 1 1 -12 12 20 o 126.4213 8.546605 219.4707       24.10865 210.6618      50.79096 222.0327       27.39100 124.5696 15.14227 128.2730 7.930290 -3.703453      17.09321 
1 1 1 -12 12 21 f 276.9937 6.088576 1072.792       41.20122 952.1227      74.05272 1126.892       49.58446 265.0427 10.37628 288.9448 6.373049 -23.90216      12.17715 
1 1 1 -12 12 22 o 225.1123 6.551724 665.2919       33.46622 727.1104      71.07867 647.6844       37.93401 231.2388 11.41551 218.9857 6.433237 12.25307       13.10345 
1 1 1 -12 12 23 o 166.1700 7.517703 410.8884       29.14088 299.3011      52.96820 459.3227       34.89672 148.0132 13.29020 184.3268 7.030931 -36.31358      15.03541 
1 1 1 -12 12 24 o 148.4885 15.08455 304.0102       60.31268 304.0102      60.31268 0.000000       0.000000 148.4885 15.08455 ?        ?        ?              ?        
1 1 1 -12 12 25 o 66.14286 15.41246 68.22014       37.97199 1.176454      57.22297 120.9696       50.75752 48.00211 21.49352 84.28362 22.09534 -36.28151      30.82492 
1 1 1 -12 12 26 o 88.97247 14.25076 71.15662       50.48455 260.8158      73.07211 -102.0464      69.83007 135.8664 19.97359 42.07853 20.33206 93.78789       28.50153 
1 1 1 -12 12 27 o 73.82172 15.72672 86.53217       33.72662 81.41202      45.54873 92.74651       50.18023 71.70419 21.71918 75.93925 22.75075 -4.235062      31.45345 
1 1 1 -12 12 28 o 55.20125 14.98111 38.69153       31.85551 52.24168      43.59433 23.16657       46.66307 59.55466 21.37436 50.84784 20.99695 8.706821       29.96223 
1 1 1 -12 12 29 o 53.93407 13.76570 28.46192       31.89563 86.44990      43.83664 -36.77277      46.49514 70.97153 21.26453 36.89661 17.48707 34.07492       27.53140 
1 1 1 -12 12 30 o 50.63994 14.74091 39.73301       32.20305 40.04343      42.38634 39.30919       49.52681 50.31372 20.29593 50.96616 21.38348 -0.6524467     29.48182 
1 1 1 -12 14 1  o 406.4136 7.075473 2239.564       77.34504 2209.606      111.5906 2267.264       107.3003 403.7271 10.26494 409.1001 9.740648 -5.373077      14.15095 
1 1 1 -12 14 2  o 331.9213 6.239153 1492.286       55.70740 1449.521      79.81531 1532.907       77.78811 327.2344 9.058241 336.6082 8.582330 -9.373779      12.47831 
1 1 1 -12 14 3  o 248.0677 4.773704 801.9941       26.19490 881.8267      57.78028 781.3414       29.38854 255.3812 8.402475 240.7542 4.533366 14.62708       9.547408 
1 1 1 -12 14 4  o 271.3740 4.821162 995.3068       30.79299 992.2918      60.65166 996.3536       35.74212 270.9087 8.314504 271.8394 4.882976 -0.9306641     9.642324 
1 1 1 -12 14 5  o 175.9971 4.752514 415.7260       13.96580 421.4153      42.65110 415.0427       14.78064 176.4707 8.975820 175.5235 3.127338 0.9472656      9.505029 
1 1 1 -12 14 6  o 291.7070 4.982911 1138.436       34.51195 1172.389      67.59988 1126.466       40.13678 294.4052 8.527410 289.0088 5.157605 5.396362       9.965821 
1 1 1 -12 14 7  f 253.3483 4.495014 884.2808       24.25725 837.0925      54.25448 896.0705       27.11873 248.8358 8.097282 257.8608 3.905716 -9.024963      8.990027 
1 1 1 -12 14 8  o 120.8178 7.077764 215.6839       18.44793 167.6628      38.35607 230.1356       21.04152 111.0366 12.82876 130.5991 5.983476 -19.56248      14.15553 
1 1 1 -12 14 9  o 217.9469 4.816244 636.9186       25.59530 651.7310      47.95439 631.0178       30.26713 219.5784 8.110643 216.3154 5.196373 3.263000       9.632488 
1 1 1 -12 14 10 o 207.0239 4.863653 573.8170       24.79145 591.3382      45.76199 566.5386       29.49463 209.1109 8.127274 204.9370 5.344897 4.173904       9.727306 
1 1 1 -12 14 11 o 77.26077 9.554599 79.94282       17.77612 89.88819      33.13107 75.92243       21.06486 79.68987 15.99599 74.83167 10.45417 4.858200       19.10920 
1 1 1 -12 14 12 o 241.7577 4.378867 786.1076       27.80451 799.0159      44.70480 777.9641       35.50793 243.3201 6.823273 240.1952 5.490067 3.124924       8.757733 
1 1 1 -12 14 13 o 206.8600 4.799538 570.3109       25.89172 605.5372      42.83038 550.0241       32.50312 211.7782 7.510819 201.9417 5.977445 9.836487       9.599075 
1 1 1 -12 14 14 o 304.9601 4.782060 1251.869       38.57866 1268.899      60.68607 1240.319       49.97694 306.6427 7.349758 303.2776 6.119924 3.365082       9.564120 
1 1 1 -12 14 15 o 342.0188 5.499795 1580.596       48.61181 1572.976      80.94881 1584.894       60.79473 341.2499 8.809567 342.7877 6.586540 -1.537811      10.99959 
1 1 1 -12 14 16 o 197.0833 5.563595 525.7415       28.86278 516.7329      45.72947 531.7064       37.21111 195.6246 8.681391 198.5419 6.960445 -2.917313      11.12719 
1 1 1 -12 14 17 o 53.89417 13.99816 31.38144       25.93692 33.27291      42.84151 30.28703       32.58777 56.41532 21.03432 51.37303 18.47569 5.042290       27.99632 
1 1 1 -12 14 18 o 279.6398 5.698817 1074.648       41.36060 977.3196      66.47438 1136.128       52.83300 269.0227 9.176602 290.2570 6.759883 -21.23422      11.39763 
1 1 1 -12 14 19 o 139.7070 8.584985 266.4443       28.85373 259.7607      54.57159 269.0377       33.99400 138.2872 14.65551 141.1268 8.945598 -2.839584      17.16997 
1 1 1 -12 14 20 o 97.22313 11.39570 131.1929       24.22197 132.3801      50.85991 130.8447       27.54654 96.20057 20.27363 98.24570 10.41286 -2.045128      22.79140 
1 1 1 -12 14 21 o 191.1395 7.391808 524.4559       30.98056 447.2518      64.67875 547.4430       35.29263 180.9768 13.27258 201.3022 6.511069 -20.32532      14.78362 
1 1 1 -12 14 22 o 64.03217 11.09432 69.42419       23.83347 -34.61400     48.05713 103.3598       27.44664 40.93127 18.85431 87.13307 11.69830 -46.20180      22.18863 
1 1 1 -12 14 23 o 251.8432 6.659181 862.3284       42.35963 860.7288      73.99138 863.1083       51.66383 251.2614 10.93634 252.4251 7.600998 -1.163742      13.31836 
1 1 1 -12 14 24 o 175.4035 10.67177 523.5524       40.69898 306.0552      73.42896 619.9983       48.89699 139.5931 19.53530 211.2139 8.597581 -71.62080      21.34353 
1 1 1 -12 14 25 o 57.99141 16.59046 -20.75436      44.93341 88.63082      73.33603 -86.49992      56.85535 78.52691 27.77151 37.45592 18.15810 41.07099       33.18092 
1 1 1 -12 14 26 o 95.42019 12.39044 156.1479       33.77772 20.67074      49.63176 273.0363       46.10121 51.62734 21.51375 139.2130 12.29841 -87.58571      24.78089 
1 1 1 -12 14 27 o 64.35244 14.53692 63.52589       31.08895 25.70109      47.03742 92.86668       41.42773 51.90387 21.21623 76.80101 19.87862 -24.89714      29.07384 
1 1 1 -12 14 28 o 45.55550 14.37082 -0.6554508     33.90219 20.68190      58.20466 -11.61149      41.70752 51.83955 22.49434 39.27145 17.89094 12.56810       28.74163 
1 1 1 -12 14 29 o 59.39952 16.08251 62.34181       35.64082 90.31569      56.42754 43.77439       45.97170 66.44572 24.25059 52.35332 21.13049 14.09240       32.16502 
1 1 1 -12 14 30 o 102.4880 19.17167 196.0171       50.96247 0.000000      0.000000 196.0171       50.96247 ?        ?        102.4880 19.17167 ?              ?        
1 1 1 -12 16 1  o 516.6178 8.405330 3614.344       116.9128 3637.462      166.7533 3591.995       163.9615 518.2261 11.95011 515.0095 11.82342 3.216553       16.81066 
1 1 1 -12 16 2  o 276.0942 5.955241 1028.642       44.18194 1041.895      64.77402 1017.112       60.41851 277.7313 8.661491 274.4571 8.175459 3.274170       11.91048 
1 1 1 -12 16 3  o 253.6375 4.998077 868.8196       28.40161 866.9265      60.12911 869.3633       32.22276 253.2955 8.816049 253.9796 4.711730 -0.6841583     9.996155 
1 1 1 -12 16 4  o 344.7812 5.149508 1605.388       38.37950 1603.429      85.34012 1605.884       42.97010 344.3789 9.203082 345.1835 4.623097 -0.8045654     10.29902 
1 1 1 -12 16 5  o 166.7110 5.475500 390.7751       19.07281 350.9496      43.13358 400.4545       21.26463 161.0491 9.946580 172.3728 4.581479 -11.32368      10.95100 
1 1 1 -12 16 6  f 354.7423 4.631878 1703.932       43.80850 1653.011      66.24830 1743.504       58.40031 349.9570 7.030346 359.5276 6.032531 -9.570618      9.263757 
1 1 1 -12 16 7  o 94.98607 8.244346 109.4805       17.10891 145.1967      39.92987 101.4488       18.93513 103.3111 14.35382 86.66101 8.114488 16.65012       16.48869 
1 1 1 -12 16 8  o 181.4092 5.548214 424.2733       22.21392 480.0892      49.47273 410.1783       24.86099 188.3933 9.752525 174.4251 5.293295 13.96819       11.09643 
1 1 1 -12 16 9  o 181.2263 5.458765 436.3493       22.60552 456.7662      47.08191 430.2326       25.77019 183.8088 9.512714 178.6437 5.357305 5.165024       10.91753 
1 1 1 -12 16 10 o 390.6417 5.811033 2066.881       57.01957 2042.861      100.4853 2078.288       69.24781 388.7545 9.599388 392.5290 6.551654 -3.774506      11.62207 
1 1 1 -12 16 11 o 79.78146 10.09469 87.57359       19.27106 89.20045      35.65685 86.90231       22.90436 79.41145 17.17507 80.15147 10.61264 -0.7400284     20.18938 
1 1 1 -12 16 12 o 45.43324 12.11674 20.82277       19.45467 17.23586      33.96900 22.57357       23.73238 46.73882 18.39364 44.12766 15.77770 2.611156       24.23349 
1 1 1 -12 16 13 o 144.0558 5.958519 278.5820       22.00472 285.4541      37.56543 274.9922       27.15034 145.3389 9.598934 142.7726 7.062311 2.566299       11.91704 
1 1 1 -12 16 14 o 134.9286 10.23090 246.0229       37.17076 246.0229      37.17076 0.000000       0.000000 134.9286 10.23090 ?        ?        ?              ?        
1 1 1 -12 16 15 o 295.9764 4.910246 1167.303       38.36796 1250.714      61.45065 1114.010       49.11862 304.4986 7.494762 287.4543 6.345911 17.04431       9.820492 
1 1 1 -12 16 16 o 129.8418 7.535057 235.2129       25.50275 180.5547      37.84130 280.6970       34.51979 115.4972 12.16778 144.1863 8.891207 -28.68911      15.07011 
1 1 1 -12 16 17 f 345.9729 5.306165 1605.143       48.90298 1681.733      75.58971 1550.011       64.13254 352.9782 7.953008 338.9677 7.026464 14.01053       10.61233 
1 1 1 -12 16 18 o 207.4913 6.024096 574.5728       33.10460 623.5575      52.58308 542.4092       42.60863 214.6548 9.097499 200.3278 7.899015 14.32698       12.04819 
1 1 1 -12 16 19 o 43.61694 13.16871 1.033506       26.29824 3.142385      44.18633 -0.1232642     32.72546 47.19645 20.02015 40.03741 17.11294 7.159039       26.33741 
1 1 1 -12 16 20 f 44.35865 12.67115 9.210506       25.17204 -48.44176     48.49357 30.47385       29.45044 38.81189 18.22960 49.90541 17.60435 -11.09352      25.34229 
1 1 1 -12 16 21 o 30.89399 10.58146 -56.36332      26.18942 -126.8681     51.31257 -31.52723      30.45483 31.12019 15.49171 30.66778 14.41789 0.4524097      21.16291 
1 1 1 -12 16 22 o 63.21098 14.55992 56.03215       31.70819 -11.33510     59.90873 82.24770       37.37189 51.00153 22.45975 75.42043 18.53443 -24.41889      29.11985 
1 1 1 -12 16 23 o 72.69883 11.95984 51.10615       40.76368 -232.3245     75.49776 167.7340       48.42969 34.82085 17.53819 110.5768 16.26538 -75.75597      23.91968 
1 1 1 -12 16 24 o 34.47475 11.89012 -67.45449      34.70505 -61.72019     54.93170 -71.26388      44.77243 37.31094 18.02954 31.63855 15.50597 5.672390       23.78023 
1 1 1 -12 16 25 o 47.28231 14.08867 13.12696       30.95936 -3.347544     48.13608 24.74959       40.43122 45.07854 19.97724 49.48608 19.87140 -4.407543      28.17735 
1 1 1 -12 16 26 o 78.59824 14.31692 103.8120       30.91788 75.26419      50.49831 120.9302       39.10389 68.13245 23.09690 89.06402 16.92424 -20.93157      28.63384 
1 1 1 -12 16 27 o 54.83045 16.04266 33.21127       34.28968 60.19137      68.35368 24.13841       39.63804 62.27430 25.52928 47.38660 19.43513 14.88771       32.08533 
1 1 1 -12 16 28 o 40.31386 13.58766 -24.20321      36.16405 -16.66170     68.80048 -27.08237      42.51047 45.27996 21.40435 35.34775 16.74372 9.932209       27.17533 
1 1 1 -12 16 29 o 64.18254 17.07438 82.40609       39.40047 175.5366      70.35125 39.84509       47.55890 80.41669 27.26159 47.94839 20.56560 32.46830       34.14877 
1 1 1 -12 18 1  o 94.92326 12.31928 130.2584       29.93107 81.00143      43.06576 176.2829       41.62868 75.77707 20.57599 114.0695 13.55314 -38.29240      24.63857 
1 1 1 -12 18 2  o 149.5343 6.234007 314.5100       16.81704 285.0322      45.64886 319.1389       18.08931 145.1577 11.67902 153.9108 4.364852 -8.753036      12.46801 
1 1 1 -12 18 3  o 381.8107 4.607923 1966.572       47.35223 1912.837      67.28951 2019.286       66.64742 376.6309 6.635108 386.9905 6.395870 -10.35965      9.215846 
1 1 1 -12 18 4  o 303.1620 4.138537 1236.103       33.58673 1264.778      50.54725 1213.434       44.94278 306.2841 6.129001 300.0400 5.562850 6.244049       8.277074 
1 1 1 -12 18 5  o 498.4539 5.680386 3352.952       76.18551 3365.435      109.9453 3341.422       105.6672 499.3238 8.177320 497.5841 7.886607 1.739655       11.36077 
1 1 1 -12 18 6  o 519.0106 5.867789 3634.967       81.90990 3665.903      118.9408 3607.061       112.9662 521.0798 8.477021 516.9414 8.115658 4.138367       11.73558 
1 1 1 -12 18 7  f 70.42627 9.427492 69.81284       15.77022 65.56917      29.41488 71.52467       18.68211 68.09299 16.26594 72.75955 9.535701 -4.666565      18.85498 
1 1 1 -12 18 8  o 89.19440 7.520220 99.84798       17.13083 132.7115      30.75753 85.06879       20.62621 99.03766 11.53367 79.35114 9.653458 19.68652       15.04044 
1 1 1 -12 18 9  o 235.9402 4.378301 745.3549       27.18867 774.4783      43.67717 726.9303       34.74029 239.6453 6.768651 232.2351 5.555489 7.410263       8.756602 
1 1 1 -12 18 10 o 706.5311 7.767791 6739.324       147.5300 6906.086      216.0163 6593.546       201.9693 714.6457 11.22567 698.4166 10.73958 16.22913       15.53558 
1 1 1 -12 18 11 o 1049.918 11.32153 14970.71       320.0494 15001.52      455.3673 14940.64       449.9183 1050.940 16.09165 1048.897 15.93006 2.042847       22.64306 
1 1 1 -12 18 12 o 1006.312 10.86647 13716.73       293.8849 14195.08      431.7508 13303.76       401.1646 1022.456 15.68213 990.1685 15.04631 32.28748       21.73294 
1 1 1 -12 18 13 f 123.6293 7.455241 214.2197       23.41726 181.4158      38.55897 233.3885       29.47553 115.7607 12.37032 131.4979 8.324521 -15.73725      14.91048 
1 1 1 -12 18 14 f 234.1981 4.905817 737.1885       30.70468 760.3544      46.66956 719.5081       40.77155 237.4080 7.300538 230.9881 6.555173 6.419907       9.811633 
1 1 1 -12 18 15 o 384.8171 5.204501 1998.192       53.68099 2020.827      80.03857 1979.685       72.37183 386.7395 7.685948 382.8947 7.019510 3.844727       10.40900 
1 1 1 -12 18 16 o 58.76559 13.58039 45.54740       24.49547 49.91405      37.79496 42.38466       32.16560 61.10352 19.96377 56.42765 18.41619 4.675877       27.16078 
1 1 1 -12 18 17 o 142.5098 7.805031 280.2632       29.48696 238.5917      43.33409 316.1953       40.23939 132.3484 12.15983 152.6711 9.788389 -20.32266      15.61006 
1 1 1 -12 18 18 o 128.3555 13.39334 225.1939       46.28996 225.1939      46.28996 0.000000       0.000000 128.3555 13.39334 ?        ?        ?              ?        
1 1 1 -12 18 19 o 120.5363 10.58833 197.2887       32.55886 207.2002      56.38864 192.3316       39.87806 122.4049 17.10841 118.6677 12.48011 3.737213       21.17665 
1 1 1 -12 18 20 o 65.18332 15.55692 55.09245       36.26527 -6.255816     61.44249 87.89046       44.92534 52.65438 22.97661 77.71225 20.97968 -25.05787      31.11385 
1 1 1 -12 18 21 o 38.11652 12.97503 -56.30862      37.75191 -93.96030     66.99292 -38.78849      45.69885 39.35437 19.21910 36.87866 17.43651 2.475708       25.95006 
1 1 1 -12 18 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 18 23 o 36.53336 12.14812 -37.96492      29.75233 -35.50562     47.42908 -39.56059      38.20394 39.40468 18.35035 33.66204 15.92395 5.742638       24.29625 
1 1 1 -12 18 24 o 44.46559 13.13224 -15.72451      27.70976 49.02963      47.17604 -49.83206      34.23836 59.59779 22.10198 29.33339 14.18893 30.26440       26.26449 
1 1 1 -12 18 25 o 46.79854 14.52026 2.122284       31.46085 31.68465      60.15938 -9.006018      36.91035 55.66198 23.47148 37.93509 17.10092 17.72689       29.04052 
1 1 1 -12 18 26 o 45.39729 14.56110 -7.312253      32.04337 38.43550      67.03187 -20.86277      36.48164 56.27995 24.28035 34.51464 16.08003 21.76531       29.12220 
1 1 1 -12 18 27 o 43.87369 13.97876 12.10605       33.43131 -6.166082     62.64541 19.38192       39.53095 44.36516 20.79998 43.38221 18.68110 0.9829521      27.95752 
1 1 1 -12 20 1  o 31.87570 8.216423 10.96911       9.211572 8.182202      12.82232 13.94148       13.24208 29.83218 11.42067 33.91922 11.81553 -4.087040      16.43285 
1 1 1 -12 20 2  o 91.53720 4.893010 113.1725       11.99460 98.23927      16.73466 128.9493       17.20078 85.31039 7.285033 97.76401 6.534101 -12.45361      9.786019 
1 1 1 -12 20 3  o 487.5782 5.554124 3207.920       72.91236 3164.457      102.2573 3252.872       103.9919 484.2210 7.842731 490.9353 7.866686 -6.714355      11.10825 
1 1 1 -12 20 4  o 550.6012 6.157120 4092.722       91.27714 4115.695      130.0674 4070.429       128.1253 552.1161 8.748923 549.0863 8.665843 3.029846       12.31424 
1 1 1 -12 20 5  o 258.0570 3.898501 892.7137       26.90050 937.0106      40.90910 858.9690       35.70568 263.6532 5.762402 252.4608 5.252426 11.19241       7.797003 
1 1 1 -12 20 6  o 332.9934 4.345050 1493.474       38.92696 1409.916      54.20987 1582.426       55.93260 323.3807 6.225595 342.6060 6.062987 -19.22534      8.690100 
1 1 1 -12 20 7  o 154.6401 4.651179 324.0996       18.69546 316.1082      30.55592 328.8813       23.63587 153.0758 7.413194 156.2043 5.619466 -3.128510      9.302358 
1 1 1 -12 20 8  o 216.6997 4.363595 637.4761       25.19866 598.5568      37.78822 668.6406       33.81454 210.6774 6.661240 222.7220 5.638414 -12.04456      8.727189 
1 1 1 -12 20 9  o 561.3876 6.343992 4257.238       95.88745 4196.151      135.8419 4317.901       135.3699 557.3573 9.051421 565.4178 8.891384 -8.060547      12.68798 
1 1 1 -12 20 10 o 265.2730 4.449713 943.3505       31.12879 978.2825      49.69526 920.7936       39.93394 269.2396 6.854766 261.3065 5.675559 7.933075       8.899426 
1 1 1 -12 20 11 o 51.08804 12.57927 32.47500       20.57780 26.53158      36.04617 35.34836       25.06315 50.98067 19.23640 51.19541 16.21458 -0.2147369     25.15853 
1 1 1 -12 20 12 o 152.5578 6.023479 305.0013       23.98862 354.0353      40.18590 277.8554       29.90036 161.7274 9.227981 143.3881 7.744261 18.33934       12.04696 
1 1 1 -12 20 13 o 69.71927 12.16467 70.29441       22.52720 62.56865      35.31419 75.59531       29.25183 66.44663 18.86031 72.99190 15.36897 -6.545265      24.32933 
1 1 1 -12 20 14 o 192.2209 5.418617 498.4930       27.92602 513.4131      41.71631 486.3775       37.59166 194.7855 7.953638 189.6564 7.361065 5.129150       10.83723 
1 1 1 -12 20 15 o 160.6168 6.655018 344.6656       28.56019 405.8127      43.46614 298.2091       37.88668 172.9738 9.332271 148.2598 9.490300 24.71405       13.31004 
1 1 1 -12 20 16 o 43.36333 13.15227 -10.68629      28.38745 20.61676      43.39385 -34.10438      37.53277 51.82521 20.66378 34.90145 16.27689 16.92376       26.30454 
1 1 1 -12 20 17 o 224.5491 6.592835 662.8604       38.70338 776.8121      64.64185 599.1832       48.32204 238.9404 10.04710 210.1577 8.539187 28.78275       13.18567 
1 1 1 -12 20 18 o 86.98077 15.15816 98.03463       35.72082 171.9438      59.91038 57.26716       44.49484 108.9209 21.18985 65.04063 21.68108 43.88029       30.31632 
1 1 1 -12 20 19 o 32.27203 15.96364 -107.3608      51.24897 0.000000      0.000000 -107.3608      51.24897 ?        ?        32.27203 15.96364 ?              ?        
1 1 1 -12 20 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 20 21 o 148.5190 10.74256 293.7609       37.93066 350.8349      76.21760 274.9720       43.73063 156.0911 18.13400 140.9470 11.52250 15.14415       21.48511 
1 1 1 -12 20 22 o 88.45142 13.87371 129.7348       30.98538 93.55073      55.39771 146.2086       37.37917 75.68738 24.12083 101.2155 13.71511 -25.52809      27.74741 
1 1 1 -12 20 23 o 68.79129 15.64990 67.38780       29.92200 106.1934      58.47276 53.62104       34.82749 78.63827 24.75062 58.94431 19.15944 19.69396       31.29980 
1 1 1 -12 20 24 o 36.06760 12.32884 -54.99548      35.25742 -126.1603     67.85245 -28.67374      41.26579 36.26857 18.01467 35.86663 16.83665 0.4019394      24.65768 
1 1 1 -12 20 25 o 60.83424 15.39829 69.92866       33.28435 35.19217      65.32444 82.10892       38.68219 53.59216 23.53023 68.07632 19.86849 -14.48417      30.79657 
1 1 1 -12 20 26 o 54.96692 15.07608 63.20608       32.88902 45.62409      52.98841 74.22421       41.94699 50.18962 21.62038 59.74422 21.01694 -9.554607      30.15216 
1 1 1 -12 22 1  o 104.7092 4.799767 148.9179       13.39728 153.9687      17.90949 142.5004       20.18766 106.7669 6.229645 102.6516 7.303599 4.115288       9.599533 
1 1 1 -12 22 2  o 51.63979 9.583488 38.00421       13.31809 39.60820      17.05139 35.49489       21.32734 52.86765 12.22241 50.41193 14.76434 2.455715       19.16698 
1 1 1 -12 22 3  o 44.14816 9.746757 26.32862       13.12978 33.16545      18.07928 18.69854       19.09932 48.52704 13.39636 39.76929 14.16102 8.757751       19.49351 
1 1 1 -12 22 4  o 205.8789 3.896805 570.4537       21.56912 531.1459      29.66679 614.5306       31.41491 198.3728 5.553990 213.3850 5.467498 -15.01221      7.793609 
1 1 1 -12 22 5  o 136.7496 4.661650 254.4662       16.97791 211.3853      24.00626 297.5769       24.01454 125.0460 7.129703 148.4533 6.007599 -23.40737      9.323299 
1 1 1 -12 22 6  o 327.3434 4.358753 1444.890       38.34670 1480.810      56.25613 1413.714       52.40889 331.1140 6.309703 323.5728 6.015193 7.541229       8.717505 
1 1 1 -12 22 7  o 276.3949 4.279792 1032.981       31.80635 994.5303      45.64122 1069.285       44.34856 271.3609 6.246353 281.4289 5.852312 -10.06796      8.559584 
1 1 1 -12 22 8  o 81.64093 9.138726 96.68760       18.68571 70.05053      28.12452 117.7374       25.00147 70.14618 15.31919 93.13569 9.969333 -22.98951      18.27745 
1 1 1 -12 22 9  o 392.0340 4.964192 2077.898       52.32275 2074.977      76.09869 2080.518       72.05768 391.7274 7.214560 392.3406 6.820773 -0.6131897     9.928384 
1 1 1 -12 22 10 o 159.5205 5.508316 344.4576       23.33294 343.8454      36.10213 344.8967       30.57730 159.3302 8.414944 159.7107 7.110198 -0.3804932     11.01663 
1 1 1 -12 22 11 o 190.3602 5.324942 486.0687       26.83429 512.0046      42.46218 468.8234       34.62475 194.4816 8.108500 186.2389 6.904511 8.242676       10.64988 
1 1 1 -12 22 12 o 122.5613 8.023491 196.1524       25.91727 249.5550      42.19271 163.7932       32.84392 135.3897 11.57360 109.7330 11.11564 25.65670       16.04698 
1 1 1 -12 22 13 o 558.9429 6.627839 4243.286       99.70080 4232.178      143.2097 4253.734       138.8861 558.1519 9.528768 559.7339 9.214966 -1.581970      13.25568 
1 1 1 -12 22 14 o 153.5567 8.586336 324.0300       34.38987 315.6877      55.64507 329.1855       43.74405 151.6432 13.62763 155.4702 10.44933 -3.826996      17.17267 
1 1 1 -12 22 15 o 120.2800 11.32026 191.4374       34.48798 283.6760      55.71274 134.1320       43.91329 143.6196 14.40646 96.94032 17.46560 46.67932       22.64052 
1 1 1 -12 22 16 o 92.65272 15.50396 136.3854       37.58949 179.3724      60.57735 109.4696       47.93414 104.0719 22.28868 81.23350 21.55704 22.83844       31.00793 
1 1 1 -12 22 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 22 18 o 54.52287 16.36395 33.02779       40.10747 18.64351      74.05885 38.99736       47.70946 55.09259 24.57545 53.95315 21.61395 1.139439       32.72790 
1 1 1 -12 22 19 o 54.73281 15.64546 1.417757       32.88601 81.75301      67.08794 -23.99145      37.73001 73.39333 26.49460 36.07228 16.64806 37.32105       31.29092 
1 1 1 -12 22 20 f 67.99232 16.44556 66.91959       32.79217 84.17584      65.31571 61.10412       37.91726 72.81631 26.15990 63.16834 19.93702 9.647968       32.89111 
1 1 1 -12 22 21 o 65.18501 16.33504 65.91360       34.18247 72.50931      61.32028 62.94005       41.17298 67.32987 25.15299 63.04015 20.84852 4.289722       32.67008 
1 1 1 -12 22 22 o 44.44756 14.23905 -18.28654      34.84173 29.70983      60.29673 -42.34560      42.69027 54.47215 23.25441 34.42296 16.43883 20.04919       28.47811 
1 1 1 -12 22 23 o 56.75803 16.22819 47.92704       36.40972 74.22288      63.69726 35.16581       44.37350 62.94356 25.05480 50.57249 20.63186 12.37107       32.45639 
1 1 1 -12 22 24 o 76.57153 15.38488 126.5623       36.19130 82.63683      57.79050 154.9052       46.42158 60.80089 23.97105 92.34218 19.29162 -31.54129      30.76976 
1 1 1 -12 24 1  o 126.6896 6.303162 231.9659       20.50499 261.3274      26.53028 188.4050       32.31474 137.7842 7.150873 115.5951 10.38193 22.18916       12.60632 
1 1 1 -12 24 2  o 356.6901 4.811902 1722.026       46.14780 1698.566      63.37683 1748.502       67.32792 354.1567 6.645867 359.2234 6.960608 -5.066681      9.623804 
1 1 1 -12 24 3  o 156.3094 5.344762 330.6313       22.38325 328.6728      30.14459 333.0381       33.41715 155.8374 7.183803 156.7814 7.915738 -0.9440918     10.68952 
1 1 1 -12 24 4  o 115.7542 6.545870 182.2751       20.33812 186.4586      27.87276 177.5115       29.74315 117.2220 8.830546 114.2865 9.665149 2.935440       13.09174 
1 1 1 -12 24 5  o 232.0378 4.551238 727.3719       28.42267 747.7233      40.97602 708.5002       39.45839 235.1579 6.471230 228.9176 6.401427 6.240326       9.102476 
1 1 1 -12 24 6  o 143.2561 8.909290 278.5697       34.36685 278.5697      34.36685 0.000000       0.000000 143.2561 8.909290 ?        ?        ?              ?        
1 1 1 -12 24 7  o 401.9310 7.208633 2186.608       78.01675 0.000000      0.000000 2186.608       78.01675 ?        ?        401.9310 7.208633 ?              ?        
1 1 1 -12 24 8  o 119.5029 7.658524 194.0756       24.54519 199.6067      36.58944 189.5499       33.09700 120.9947 11.23068 118.0110 10.41556 2.983704       15.31705 
1 1 1 -12 24 9  o 187.0215 7.994873 473.9902       40.26117 0.000000      0.000000 473.9902       40.26117 ?        ?        187.0215 7.994873 ?              ?        
1 1 1 -12 24 10 o 197.3866 6.051591 519.1934       31.79229 604.5124      49.79294 460.4729       41.30853 210.7445 8.774615 184.0286 8.336255 26.71588       12.10318 
1 1 1 -12 24 11 o 163.6121 7.357028 378.0649       32.23156 388.7961      48.44020 369.5389       43.17708 165.3108 10.88231 161.9134 9.903466 3.397446       14.71406 
1 1 1 -12 24 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 14 o 41.30888 13.59781 -62.57941      39.69310 -134.2672     60.03719 -6.910871      52.90572 34.44062 17.07920 48.17715 21.16370 -13.73653      27.19561 
1 1 1 -12 24 15 o 63.45632 23.84746 54.55933       55.28040 54.55933      55.28040 0.000000       0.000000 63.45632 23.84746 ?        ?        ?              ?        
1 1 1 -12 24 16 o 107.4193 12.45478 162.9595       34.45888 206.5083      57.30424 138.2927       43.12755 118.5835 17.94648 96.25513 17.27455 22.32834       24.90956 
1 1 1 -12 24 17 o 46.73811 14.46103 3.173970       33.76328 -1.913233     55.56746 6.151304       42.51036 48.44843 21.46765 45.02777 19.38106 3.420658       28.92206 
1 1 1 -12 24 18 o 50.82918 15.02074 17.84323       32.67542 33.43462      56.42176 9.975186       40.08090 56.72664 23.21762 44.93172 19.06390 11.79492       30.04148 
1 1 1 -12 24 19 o 48.80655 14.69121 16.05274       34.45413 -1.664204     50.68158 31.27605       46.97971 45.39448 20.28380 52.21862 21.25781 -6.824146      29.38243 
1 1 1 -12 24 20 o 67.41612 16.10663 80.12859       36.30065 52.60424      53.27671 103.9798       49.59459 58.32325 23.00899 76.50900 22.54508 -18.18574      32.21326 
1 1 1 -12 24 21 o 50.56633 15.02352 32.43084       35.63176 10.20304      53.79037 49.81058       47.56395 46.29467 20.77615 54.83800 21.70660 -8.543331      30.04704 
1 1 1 -12 24 22 o 54.33846 15.01752 57.55491       33.38440 32.35907      49.17903 79.08861       45.46476 47.34412 20.61034 61.33281 21.84759 -13.98869      30.03503 
1 1 1 -12 26 1  o 245.4016 4.741467 819.1073       31.12894 800.9075      41.52475 842.4569       47.03415 242.4598 6.360392 248.3434 7.033594 -5.883621      9.482934 
1 1 1 -12 26 2  o 67.35246 11.98308 68.01623       20.89349 70.33159      25.45590 63.23650       36.57467 69.61644 14.06388 65.08847 19.40578 4.527969       23.96617 
1 1 1 -12 26 3  o 230.2286 5.017027 720.1425       30.69315 713.7199      40.20045 729.1196       47.52699 229.1946 6.513929 231.2626 7.632232 -2.067932      10.03405 
1 1 1 -12 26 4  o 148.3456 6.184717 300.2316       24.52810 286.1001      32.49709 318.9404       37.39152 144.4455 8.355205 152.2458 9.121043 -7.800293      12.36943 
1 1 1 -12 26 5  o 40.12262 11.96677 4.068444       23.18382 21.31198      31.05348 -17.64569      34.84724 44.85231 17.60719 35.39294 16.21115 9.459373       23.93354 
1 1 1 -12 26 6  o 47.04727 12.93262 24.77702       23.80247 14.80419      33.34684 35.13570       33.98581 43.18091 17.78165 50.91364 18.78360 -7.732723      25.86524 
1 1 1 -12 26 7  o 60.30931 13.72972 54.21271       25.65377 68.57561      37.40784 41.46033       35.24821 66.37617 19.58608 54.24246 19.24594 12.13371       27.45944 
1 1 1 -12 26 8  o 137.6783 7.713958 262.3723       28.33050 266.7919      43.23967 259.0478       37.50108 138.4287 11.60040 136.9280 10.17110 1.500626       15.42792 
1 1 1 -12 26 9  o 39.74197 12.49379 -11.90777      27.34130 -28.24434     39.21133 3.551253       38.14365 36.34097 16.84203 43.14297 18.45875 -6.802010      24.98758 
1 1 1 -12 26 10 o 189.1096 6.567721 480.4207       33.05296 592.5915      51.01319 399.2560       43.39365 207.7865 9.117625 170.4326 9.455621 37.35390       13.13544 
1 1 1 -12 26 11 o 96.95918 12.26904 137.5603       30.65961 194.6402      46.39941 93.32253       40.84772 116.4453 14.79814 77.47304 19.57378 38.97229       24.53809 
1 1 1 -12 26 12 o 50.42809 14.32800 20.81843       30.29824 46.24960      46.05522 1.414058       40.22957 58.12796 21.78216 42.72821 18.61999 15.39975       28.65600 
1 1 1 -12 26 13 o 52.81850 14.24193 32.05711       29.62359 5.832403      44.90629 52.26196       39.41664 46.06789 19.87393 59.56911 20.40483 -13.50122      28.48386 
1 1 1 -12 26 14 o 84.66812 13.92190 111.8757       31.10716 110.7741      45.28378 112.8600       42.80511 83.94681 20.26411 85.38943 19.09564 -1.442627      27.84381 
1 1 1 -12 26 15 o 50.38194 14.41668 27.34442       30.69757 15.48452      45.17490 37.51898       41.84222 47.57123 20.21380 53.19265 20.56125 -5.621418      28.83336 
1 1 1 -12 26 16 o 55.48758 15.01608 42.66819       31.66644 28.25259      43.23746 59.34663       46.50734 50.08785 20.39234 60.88730 22.04728 -10.79945      30.03215 
1 1 1 -12 26 17 o 31.99046 11.04607 -66.78778      30.97128 -88.75017     42.26846 -41.32645      45.51108 28.40789 14.12827 35.57303 16.98395 -7.165142      22.09213 
1 1 1 -12 26 18 o 53.48394 14.01219 35.26340       31.67535 86.30928      44.33528 -17.95941      45.27079 68.51055 21.55000 38.45734 17.91546 30.05322       28.02439 
1 1 1 -12 26 19 o 76.88927 15.21255 115.6577       32.83141 121.1068      44.43875 109.1088       48.71683 80.43851 20.46700 73.34003 22.51197 7.098488       30.42510 
1 1 1 -12 26 20 o 39.96078 12.88642 -10.93124      32.23838 -55.78804     43.27880 44.98566       48.32064 30.54825 15.02623 49.37331 20.93924 -18.82506      25.77284 
1 1 1 -12 28 1  o 118.7588 6.384065 196.5989       19.78260 194.3272      25.02541 200.3832       32.30014 118.3954 7.849879 119.1221 10.06998 -0.7266541     12.76813 
1 1 1 -12 28 2  o 94.89069 9.370199 141.3559       20.92808 161.5396      26.06052 104.7000       35.12000 107.5696 8.997254 82.21175 16.43934 25.35787       18.74040 
1 1 1 -12 28 3  o 105.5754 7.639599 155.2676       21.28874 145.7688      27.19782 170.2931       34.20688 101.8789 9.914401 109.2719 11.62577 -7.392975      15.27920 
1 1 1 -12 28 4  o 34.07436 10.96980 -15.08759      21.30003 -24.50094     26.74745 1.229494       35.21533 28.52507 13.44171 39.62365 17.33973 -11.09858      21.93959 
1 1 1 -12 28 5  o 81.56429 11.14874 102.2244       23.49937 111.5380      30.93568 89.51877       36.13250 87.90058 13.07027 75.22800 18.06505 12.67258       22.29749 
1 1 1 -12 28 6  o 145.3696 6.728988 297.6275       25.96788 311.5487      34.51855 279.4768       39.41486 149.8279 8.556110 140.9112 10.38798 8.916687       13.45798 
1 1 1 -12 28 7  o 98.00665 9.619630 139.7151       25.27658 143.0953      34.51096 135.8035       37.12498 99.66692 12.85946 96.34637 14.31026 3.320557       19.23926 
1 1 1 -12 28 8  o 114.9232 8.402488 190.6533       25.64573 207.9289      34.73978 169.9626       38.01868 121.3650 10.63042 108.4814 13.01543 12.88356       16.80498 
1 1 1 -12 28 9  o 124.1873 7.736948 213.7984       25.53402 173.6974      33.62168 268.4465       39.24901 110.5215 11.29768 137.8532 10.57373 -27.33178      15.47390 
1 1 1 -12 28 10 o 73.71771 13.41384 86.68618       26.54572 77.30676      34.77786 99.77873       41.08915 69.31940 18.34598 78.11603 19.57421 -8.796623      26.82769 
1 1 1 -12 28 11 o 78.06186 13.32251 98.88699       27.62777 94.49258      37.66079 104.0076       40.65377 76.37173 18.50741 79.75198 19.16855 -3.380249      26.64503 
1 1 1 -12 28 12 o 46.23791 18.92326 23.42159       37.47679 0.000000      0.000000 23.42159       37.47679 ?        ?        46.23791 18.92326 ?              ?        
1 1 1 -12 28 13 o 54.00646 13.17250 38.90591       26.82147 -1.092672     37.14234 82.49310       38.77274 38.87431 17.36780 69.13861 19.80956 -30.26431      26.34500 
1 1 1 -12 28 14 o 46.23225 12.90336 15.09953       27.53332 -30.05804     38.54336 62.15503       39.34500 33.32707 15.83189 59.13743 20.37984 -25.81036      25.80671 
1 1 1 -12 28 15 o 60.04039 13.32023 58.91256       29.28367 115.3411      41.70502 4.035352       41.12775 79.86743 19.55044 40.21336 18.09681 39.65408       26.64046 
1 1 1 -12 28 16 o 38.76272 12.49397 2.844046       28.71131 -4.113235     38.99409 11.08186       42.43116 36.66818 16.92363 40.85727 18.38445 -4.189087      24.98794 
1 1 1 -12 28 17 o 43.34334 13.37732 23.44264       29.25940 15.56382      39.00065 33.58669       44.25341 40.64610 17.99894 46.04057 19.79516 -5.394470      26.75463 
1 1 1 -12 30 1  o 35.82257 10.85145 10.17472       19.57250 22.39207      23.67359 -16.21434      34.79266 39.13681 15.37017 32.50834 15.32232 6.628479       21.70290 
1 1 1 -12 30 2  o 70.65231 11.72769 86.50226       21.43188 81.41243      27.14538 94.92568       34.92116 69.52906 14.94408 71.77555 18.07842 -2.246490      23.45538 
1 1 1 -12 30 3  o 74.39986 11.22721 102.9785       21.97076 127.2358      27.91229 63.47071       35.62173 91.66064 11.30913 57.13908 19.39857 34.52156       22.45442 
1 1 1 -12 30 4  o 35.51764 11.15208 4.064731       21.14042 0.6970758     28.14969 8.421068       32.01627 33.67547 15.07708 37.35982 16.43646 -3.684349      22.30416 
1 1 1 -12 30 5  o 114.1898 7.706818 196.3859       23.31806 212.2855      31.37106 176.7562       34.85719 120.5961 9.660784 107.7834 12.01039 12.81272       15.41364 
1 1 1 -12 30 6  o 48.42677 12.17725 39.18077       22.29180 59.42143      29.01284 10.01173       34.82882 57.85497 17.29152 38.99858 17.15066 18.85638       24.35450 
1 1 1 -12 30 7  o 63.60107 12.99419 75.15179       23.77612 82.69473      31.60443 65.31627       36.08914 68.63168 17.15010 58.57047 19.52613 10.06120       25.98838 
1 1 1 -12 30 8  o 31.59804 10.62588 -22.90026      24.35070 -20.35024     31.68584 -26.57890      38.05719 30.64875 14.49959 32.54733 15.53703 -1.898584      21.25176 
1 1 1 -12 30 9  o 73.75621 12.66940 99.79739       24.79465 104.3653      32.40499 93.34627       38.50980 78.15423 15.93861 69.35818 19.69811 8.796043       25.33880 
1 1 1 -12 30 10 o 66.15659 13.98418 86.07779       26.55226 83.63581      34.27694 89.74178       41.98624 66.63799 18.46514 65.67519 21.00637 0.9627991      27.96835 
1 1 1 -12 30 11 o 40.59488 12.53786 10.08241       26.63820 -14.16410     35.42432 41.63484       40.41041 33.14257 15.57123 48.04719 19.65526 -14.90462      25.07573 
1 1 1 -11 1  1  o 1007.429 10.66360 13683.26       289.2688 13673.15      408.7578 13693.40       409.4187 1007.057 15.07400 1007.802 15.08722 -0.7444458     21.32721 
1 1 1 -11 1  2  o 389.3458 4.300241 2041.216       45.08139 2031.821      63.44669 2050.796       64.06728 388.4411 6.065971 390.2504 6.096908 -1.809265      8.600482 
1 1 1 -11 1  3  o 633.2726 6.747820 5401.141       115.0569 5366.730      161.6703 5436.453       163.7801 631.2299 9.511726 635.3152 9.573890 -4.085388      13.49564 
1 1 1 -11 1  4  o 241.2965 2.964274 781.9584       19.22912 749.9224      26.30095 818.7482       28.18486 236.0007 4.138803 246.5922 4.244760 -10.59151      5.928547 
1 1 1 -11 1  5  o 423.3019 4.585833 2412.675       52.26552 2393.330      73.34146 2432.638       74.50140 421.5783 6.460824 425.0255 6.509776 -3.447235      9.171665 
1 1 1 -11 1  6  o 1176.697 12.41737 18670.58       393.4335 18731.24      558.2452 18610.71       554.5709 1178.593 17.59048 1174.801 17.53111 3.792114       24.83475 
1 1 1 -11 1  7  o 918.1283 9.698475 11355.42       239.7012 11517.59      343.8889 11202.17       334.2921 924.4958 13.81433 911.7607 13.61638 12.73505       19.39695 
1 1 1 -11 1  8  o 541.1260 5.794575 3942.778       84.41882 3902.160      118.1666 3985.118       120.6444 538.2811 8.152714 543.9710 8.236604 -5.689941      11.58915 
1 1 1 -11 1  9  o 1107.091 11.69605 16524.61       348.6482 16618.35      495.8281 16432.93       490.3437 1110.192 16.58631 1103.990 16.49500 6.202148       23.39211 
1 1 1 -11 1  10 o 1335.718 14.10073 24055.30       506.7777 24652.69      733.9588 23510.99       700.5891 1351.515 20.16822 1319.921 19.71206 31.59351       28.20146 
1 1 1 -11 1  11 o 139.4229 3.802011 261.7299       14.27352 0.000000      0.000000 261.7299       14.27352 ?        ?        139.4229 3.802011 ?              ?        
1 1 1 -11 1  12 o 788.6954 8.361510 8368.716       177.3651 8116.699      243.7734 8652.192       258.5419 776.1088 11.66488 801.2820 11.98290 -25.17328      16.72302 
1 1 1 -11 1  13 o 1105.548 11.67654 16490.39       347.5721 16366.19      488.0493 16618.22       495.1090 1101.333 16.45742 1109.764 16.56864 -8.431030      23.35308 
1 1 1 -11 1  14 o 448.0019 4.839708 2703.778       58.38240 2698.154      82.52557 2709.412       82.60485 447.5354 6.848220 448.4684 6.840539 -0.9330139     9.679416 
1 1 1 -11 1  15 f 513.3994 5.516077 3553.653       76.25240 3567.156      108.3751 3540.414       107.3071 514.3630 7.824861 512.4358 7.776886 1.927185       11.03215 
1 1 1 -11 1  16 o 316.2090 3.632973 1347.108       30.92450 1358.579      44.32751 1336.231       43.16340 317.5176 5.184683 314.9004 5.090484 2.617157       7.265945 
1 1 1 -11 1  17 o 310.9677 3.632757 1303.291       30.41062 1317.423      43.58803 1289.888       42.44880 312.6065 5.178284 309.3288 5.096378 3.277649       7.265514 
1 1 1 -11 1  18 o 255.8476 3.310103 882.6649       22.79245 879.4575      32.72104 885.6880       31.76692 255.3898 4.758172 256.3053 4.602928 -0.9154510     6.620207 
1 1 1 -11 1  19 o 71.05254 6.211955 69.43577       11.68953 57.99052      17.09142 79.49509       16.02321 65.42085 9.702388 76.68423 7.759973 -11.26338      12.42391 
1 1 1 -11 1  20 o 298.6360 3.885135 1201.511       31.22538 1150.934      43.48864 1255.332       44.86210 292.1518 5.528201 305.1202 5.460411 -12.96838      7.770270 
1 1 1 -11 1  21 o 106.7189 6.217710 157.4997       17.26253 137.7628      27.22479 170.7704       22.32400 100.9426 10.01628 112.4952 7.369782 -11.55256      12.43542 
1 1 1 -11 1  22 o 149.0134 4.947337 301.1344       19.56215 289.2861      30.03052 309.8679       25.78287 146.4285 7.616469 151.5983 6.316167 -5.169724      9.894673 
1 1 1 -11 1  23 o 519.4395 8.117108 3648.925       113.5092 3621.522      158.6911 3677.633       162.4267 517.4617 11.38914 521.4173 11.56881 -3.955627      16.23422 
1 1 1 -11 1  24 o 232.4323 5.353137 730.1755       33.46684 767.6742      47.25484 692.4396       47.40405 238.4438 7.359982 226.4207 7.775278 12.02316       10.70627 
1 1 1 -11 1  25 o 134.5258 6.888485 245.0035       24.79963 241.8288      33.18541 249.0189       37.32182 133.5902 9.225480 135.4614 10.23208 -1.871124      13.77697 
1 1 1 -11 1  26 o 240.3850 5.920984 782.5388       38.31939 790.8630      53.91687 774.0427       54.47096 241.6913 8.284766 239.0787 8.461373 2.612656       11.84197 
1 1 1 -11 1  27 o 138.7910 10.37625 265.2696       38.69777 267.7302      53.20267 262.5053       56.39013 139.5797 14.15558 138.0023 15.17516 1.577423       20.75250 
1 1 1 -11 1  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1  29 o 108.5537 13.58190 173.6200       38.53774 177.2291      51.92765 169.1951       57.49829 111.2479 17.33498 105.8595 20.91341 5.388405       27.16380 
1 1 1 -11 1  30 o 53.20428 15.48244 21.33630       35.95389 3.368671      47.85088 44.63204       54.48574 46.70198 20.33047 59.70659 23.35585 -13.00460      30.96487 
1 1 1 -11 1  31 o 64.74245 15.72121 70.65084       33.33169 59.89739      46.84086 81.68167       47.44114 60.70392 22.10392 68.78098 22.36164 -8.077065      31.44242 
1 1 1 -11 1  32 o 46.83772 14.35578 19.57773       34.92321 -10.46721     50.59420 46.92088       48.26579 40.80902 18.98711 52.86641 21.53702 -12.05738      28.71156 
1 1 1 -11 3  1  o 946.0563 10.01885 12060.04       255.1840 11939.65      357.1915 12185.53       364.6948 941.2402 14.09345 950.8725 14.24374 -9.632324      20.03770 
1 1 1 -11 3  2  o 534.8560 5.755291 3851.999       82.87058 3904.796      118.6498 3801.712       115.7957 538.4321 8.183756 531.2799 8.094419 7.152161       11.51058 
1 1 1 -11 3  3  o 790.9788 8.386794 8429.151       178.6198 8471.256      253.8673 8387.873       251.3643 792.9334 11.89013 789.0242 11.83123 3.909241       16.77359 
1 1 1 -11 3  4  o 875.9900 9.267118 10338.79       218.5745 10410.18      311.2356 10269.32       307.0294 878.9711 13.15017 873.0088 13.06105 5.962341       18.53424 
1 1 1 -11 3  5  o 676.9013 7.185260 6171.153       130.9532 6124.126      183.7916 6219.644       186.6327 674.2835 10.12278 679.5191 10.20006 -5.235596      14.37052 
1 1 1 -11 3  6  o 332.6749 3.715553 1487.838       33.24343 1536.732      48.47103 1444.413       45.67968 337.8266 5.328500 327.5232 5.179616 10.30341       7.431106 
1 1 1 -11 3  7  o 519.7331 7.876054 3637.829       110.2231 0.000000      0.000000 3637.829       110.2231 ?        ?        519.7331 7.876054 ?              ?        
1 1 1 -11 3  8  o 875.4215 9.254026 10327.34       218.1370 10317.63      307.9799 10337.11       309.0074 875.0095 13.07152 875.8334 13.10280 -0.8239136     18.50805 
1 1 1 -11 3  9  f 1157.371 12.22189 18037.91       380.3778 17520.45      521.9681 18623.92       555.4639 1139.734 17.00814 1175.008 17.55624 -35.27368      24.44379 
1 1 1 -11 3  10 o 1227.080 12.95775 20304.08       428.1048 20138.95      600.7706 20474.44       610.2029 1222.020 18.25774 1232.141 18.39207 -10.12146      25.91550 
1 1 1 -11 3  11 o 1548.273 23.11929 32371.08       963.8409 32371.08      963.8409 0.000000       0.000000 1548.273 23.11929 ?        ?        ?              ?        
1 1 1 -11 3  12 o 432.8188 4.720236 2522.816       55.00431 2528.113      78.46120 2517.698       77.13152 433.2645 6.725405 432.3731 6.625062 0.8913879      9.440473 
1 1 1 -11 3  13 o 469.7552 7.145983 2972.387       90.38929 0.000000      0.000000 2972.387       90.38929 ?        ?        469.7552 7.145983 ?              ?        
1 1 1 -11 3  14 o 454.9114 4.943737 2780.904       60.39852 2885.645      89.31039 2692.628       81.99104 462.7753 7.167182 447.0475 6.811288 15.72772       9.887474 
1 1 1 -11 3  15 o 45.19183 7.472012 28.12930       8.766818 31.59655      14.07672 25.93236       11.20517 47.41122 11.20401 42.97244 9.889081 4.438778       14.94402 
1 1 1 -11 3  16 f 186.1796 3.869549 466.9581       19.39884 0.000000      0.000000 466.9581       19.39884 ?        ?        186.1796 3.869549 ?              ?        
1 1 1 -11 3  17 o 284.3923 3.494770 1086.885       26.63951 1124.237      39.89767 1056.838       35.78492 288.7735 5.131056 280.0110 4.746150 8.762482       6.989540 
1 1 1 -11 3  18 o 210.9020 3.736063 611.4908       20.20359 560.5621      33.46738 640.6928       25.34233 203.7943 6.098829 218.0097 4.317053 -14.21547      7.472126 
1 1 1 -11 3  19 o 198.1632 3.986373 525.5736       19.77083 541.2667      35.43983 518.4828       23.82234 200.2182 6.573622 196.1082 4.511339 4.110016       7.972746 
1 1 1 -11 3  20 o 206.3298 4.205005 579.1423       22.12324 558.4413      37.61368 590.0915       27.35529 203.4264 6.866810 209.2331 4.855427 -5.806702      8.410009 
1 1 1 -11 3  21 o 59.16886 9.670416 50.17867       14.93351 44.18544      23.51083 54.23188       19.33472 56.09095 15.19147 62.24678 11.97025 -6.155834      19.34083 
1 1 1 -11 3  22 o 371.7016 5.229696 1864.310       49.46151 1861.872      85.23186 1865.548       60.73438 371.4011 8.522666 372.0021 6.063255 -0.6010742     10.45939 
1 1 1 -11 3  23 o 70.11118 9.939056 68.48679       18.08011 78.92003      26.69988 59.65107       24.57087 75.16001 13.69755 65.06235 14.40544 10.09766       19.87811 
1 1 1 -11 3  24 o 60.46593 11.65662 51.62251       19.47553 52.37877      28.37676 50.94906       26.77785 60.90463 16.77100 60.02723 16.19385 0.8774033      23.31324 
1 1 1 -11 3  25 o 251.5801 4.738080 858.1192       31.37504 840.8149      49.67369 869.6050       40.46952 249.3652 7.397879 253.7950 5.921908 -4.429779      9.476160 
1 1 1 -11 3  26 o 185.0887 6.731567 464.0860       32.93327 461.4128      42.63367 468.0412       51.85929 184.5595 8.578928 185.6180 10.37584 -1.058472      13.46313 
1 1 1 -11 3  27 o 185.9277 8.346821 476.7700       41.32472 520.0532      56.24414 425.9921       60.91940 195.4235 10.68851 176.4319 12.82316 18.99155       16.69364 
1 1 1 -11 3  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3  29 o 49.73267 14.88467 -1.606620      38.16612 41.87577      50.09274 -61.77850      58.92708 58.65499 22.54512 40.81035 19.44045 17.84464       29.76934 
1 1 1 -11 3  30 o 76.44532 15.89978 82.11404       35.65105 45.64650      44.34821 148.7315       59.94001 57.60248 21.41598 95.28816 23.50676 -37.68568      31.79956 
1 1 1 -11 3  31 o 57.85641 15.52111 41.52341       33.82616 12.72891      42.62191 90.52104       55.59884 45.05708 19.40003 70.65574 24.23341 -25.59866      31.04222 
1 1 1 -11 3  32 o 37.60783 12.68761 -29.41313      35.21360 -38.49327     46.56201 -17.28051      53.82236 34.86945 16.78686 40.34621 19.02901 -5.476757      25.37522 
1 1 1 -11 5  1  o 835.1631 8.871152 9394.793       199.4187 9244.044      277.4020 9556.017       286.8778 828.2397 12.43856 842.0864 12.65194 -13.84662      17.74230 
1 1 1 -11 5  2  o 297.8747 3.473036 1193.245       27.83578 1233.158      40.32901 1156.930       38.46835 302.6258 4.949123 293.1237 4.873817 9.502075       6.946072 
1 1 1 -11 5  3  o 766.8157 8.140880 7921.407       168.0813 7868.044      236.1398 7976.207       239.2975 764.2000 11.47569 769.4315 11.55008 -5.231445      16.28176 
1 1 1 -11 5  4  f 1497.201 15.82168 30259.56       637.6628 29832.08      889.0171 30712.53       915.1327 1486.347 22.21297 1508.055 22.53634 -21.70874      31.64337 
1 1 1 -11 5  5  o 538.8162 5.780407 3910.054       83.86018 3935.672      119.3941 3885.110       117.8141 540.5571 8.202720 537.0752 8.146646 3.481934       11.56081 
1 1 1 -11 5  6  o 627.3608 9.448861 5301.877       159.6174 5301.877      159.6174 0.000000       0.000000 627.3608 9.448861 ?        ?        ?              ?        
1 1 1 -11 5  7  o 589.4961 6.291454 4662.710       99.58050 4911.917      147.7458 4455.265       134.7991 603.8677 9.086362 575.1245 8.704459 28.74323       12.58291 
1 1 1 -11 5  8  f 329.3522 3.658403 1457.706       32.39345 1510.360      47.43624 1411.695       44.34259 334.9135 5.260103 323.7910 5.085958 11.12247       7.316807 
1 1 1 -11 5  9  o 801.0383 8.478953 8641.894       182.8270 8770.566      262.5680 8520.794       254.7232 806.8195 12.08599 795.2572 11.89536 11.56226       16.95791 
1 1 1 -11 5  10 o 531.4420 5.689545 3803.584       81.41082 3776.817      114.2696 3831.174       116.0148 529.5444 8.013918 533.3397 8.078415 -3.795349      11.37909 
1 1 1 -11 5  11 o 103.8502 4.733964 145.2233       13.23779 145.2233      13.23779 0.000000       0.000000 103.8502 4.733964 ?        ?        ?              ?        
1 1 1 -11 5  12 o 457.4330 4.991041 2818.438       61.47502 2809.668      87.01418 2827.178       86.86363 456.7221 7.075459 458.1440 7.041296 -1.421875      9.982082 
1 1 1 -11 5  13 o 520.0964 8.022534 3645.066       112.3515 3645.066      112.3515 0.000000       0.000000 520.0964 8.022534 ?        ?        ?              ?        
1 1 1 -11 5  14 o 421.9501 4.698421 2399.498       53.37304 2339.196      75.17751 2460.783       75.78794 416.6011 6.701687 427.2990 6.586957 -10.69788      9.396841 
1 1 1 -11 5  15 o 529.9580 7.093790 3793.009       94.67738 3796.319      166.5456 3791.428       115.0814 529.8167 11.67412 530.0993 8.062406 -0.2825928     14.18758 
1 1 1 -11 5  16 o 84.52739 7.088829 102.7600       12.02720 87.62140      28.20760 106.1238       13.29643 80.33911 13.03934 88.71567 5.566105 -8.376556      14.17766 
1 1 1 -11 5  17 o 255.4132 4.029642 861.8625       25.21587 923.7515      47.38467 837.4124       29.78316 261.5782 6.727488 249.2482 4.437675 12.33005       8.059283 
1 1 1 -11 5  18 o 180.6839 3.857690 433.3499       17.30547 458.3038      31.67572 422.7326       20.66157 184.2723 6.383854 177.0954 4.332839 7.176926       7.715380 
1 1 1 -11 5  19 o 238.1224 4.115546 758.7366       24.40285 780.5386      44.14350 749.1419       29.28428 240.4881 6.816944 235.7566 4.613040 4.731476       8.231091 
1 1 1 -11 5  20 o 223.8925 4.036692 676.6577       23.46430 672.7516      38.65134 678.9374       29.52806 223.3381 6.427151 224.4470 4.885823 -1.108978      8.073384 
1 1 1 -11 5  21 o 119.2131 5.266684 190.4065       16.78168 202.6357      25.62247 181.2195       22.20785 122.5294 7.765998 115.8968 7.116256 6.632599       10.53337 
1 1 1 -11 5  22 o 193.5696 4.395992 501.7531       22.58421 524.5468      35.37964 486.0779       29.33946 197.2361 6.661678 189.9031 5.737685 7.332962       8.791984 
1 1 1 -11 5  23 o 166.4633 4.724946 375.5122       21.07240 347.2011      30.57758 401.1189       29.08049 160.4421 7.077850 172.4846 6.261352 -12.04248      9.449893 
1 1 1 -11 5  24 o 308.8068 4.823065 1295.185       38.94020 1255.409      62.60771 1320.280       49.72953 304.8042 7.628225 312.8094 5.904067 -8.005157      9.646130 
1 1 1 -11 5  25 o 177.6035 5.317190 428.0477       25.31762 383.5059      35.89474 472.1446       35.71498 168.3340 7.919093 186.8730 7.097745 -18.53900      10.63438 
1 1 1 -11 5  26 o 119.0757 8.686800 193.6309       27.77743 195.1320      40.87516 192.3428       37.86388 119.4430 12.70911 118.7084 11.84569 0.7346878      17.37360 
1 1 1 -11 5  27 o 400.7398 6.320317 2211.923       66.08052 2115.684      106.3092 2272.520       84.35695 392.8166 10.05073 408.6630 7.666060 -15.84637      12.64063 
1 1 1 -11 5  28 o 151.0920 15.94421 373.6924       55.03268 483.7926      70.35685 200.1557       88.32993 187.5360 13.93280 114.6481 28.68359 72.88791       31.88842 
1 1 1 -11 5  29 o 181.0465 8.365914 451.7592       39.08644 428.7529      48.28601 495.4869       66.56967 175.5017 10.21778 186.5913 13.24957 -11.08954      16.73183 
1 1 1 -11 5  30 o 73.64974 24.65264 93.09827       57.52305 0.000000      0.000000 93.09827       57.52305 ?        ?        73.64974 24.65264 ?              ?        
1 1 1 -11 5  31 o 54.94218 15.27364 44.48467       35.08675 65.91451      44.77843 10.40079       56.47210 61.66905 21.71245 48.21532 21.48733 13.45373       30.54727 
1 1 1 -11 5  32 o 45.39954 14.41813 22.11731       36.66360 22.88170      49.92864 21.22278       54.01211 45.21233 20.17253 45.58674 20.60579 -0.3744087     28.83625 
1 1 1 -11 7  1  o 730.5277 7.799647 7192.203       153.4244 7195.640      216.8273 7188.755       217.1228 730.7032 11.02020 730.3522 11.04052 0.3510132      15.59929 
1 1 1 -11 7  2  o 873.7184 9.278224 10288.93       218.2611 10210.31      306.0933 10370.25       311.3085 870.3281 13.06133 877.1088 13.18117 -6.780762      18.55645 
1 1 1 -11 7  3  o 839.0344 8.909046 9481.999       201.1809 9315.190      279.3614 9661.704       289.9599 831.3817 12.47908 846.6873 12.71837 -15.30560      17.81809 
1 1 1 -11 7  4  o 64.56373 7.023437 58.57402       8.892998 55.01845      21.12160 59.34014       9.804384 62.74427 12.93171 66.38319 5.485028 -3.638920      14.04687 
1 1 1 -11 7  5  o 127.5881 2.635390 221.5409       8.957125 247.0945      12.32579 192.9451       13.03884 135.4692 3.379020 119.7070 4.045162 15.76216       5.270779 
1 1 1 -11 7  6  o 172.3497 2.564664 395.6519       11.83793 450.0998      17.83388 352.7645       15.82781 182.8358 3.622441 161.8636 3.631519 20.97218       5.129328 
1 1 1 -11 7  7  o 411.8372 4.476043 2283.169       49.62432 2245.020      69.23870 2323.464       71.15950 408.3016 6.297735 415.3727 6.362263 -7.071014      8.952086 
1 1 1 -11 7  8  o 252.6543 3.045114 856.0497       20.61442 893.0375      30.97896 826.6559       27.61633 257.5313 4.467386 247.7773 4.139243 9.753967       6.090228 
1 1 1 -11 7  9  o 430.9592 4.682501 2501.331       54.33609 2485.562      76.90244 2517.052       76.78336 429.6022 6.647987 432.3161 6.596025 -2.713898      9.365003 
1 1 1 -11 7  10 o 171.6194 2.747170 398.3939       12.62340 376.0095      18.54561 417.7175       17.23113 167.1059 4.121602 176.1330 3.633204 -9.027054      5.494340 
1 1 1 -11 7  11 o 197.1063 2.885403 523.5889       15.29796 511.8417      21.99311 534.6001       21.29303 194.9617 4.189420 199.2509 3.968750 -4.289185      5.770807 
1 1 1 -11 7  12 o 199.8214 3.833765 542.3826       19.00891 526.0452      34.10236 549.7468       22.89570 197.6009 6.409324 202.0420 4.208515 -4.441177      7.667531 
1 1 1 -11 7  13 o 227.7295 4.157780 686.3255       22.70302 726.4639      44.08819 671.8412       26.48439 232.1319 7.053490 223.3271 4.404181 8.804810       8.315559 
1 1 1 -11 7  14 o 205.5905 4.449446 575.4429       20.73040 559.4005      42.90862 580.3275       23.67703 203.6280 7.825707 207.5529 4.236577 -3.924835      8.898891 
1 1 1 -11 7  15 o 181.1979 4.846322 467.1441       19.15257 402.0954      40.45652 485.9338       21.74350 172.4980 8.710058 189.8978 4.252320 -17.39983      9.692644 
1 1 1 -11 7  16 o 240.3962 4.563877 764.7085       24.54049 807.3781      52.79850 752.9502       27.71627 244.4343 8.021877 236.3581 4.354927 8.076218       9.127754 
1 1 1 -11 7  17 o 118.2846 6.198229 217.5863       15.07080 145.8300      31.92980 238.1546       17.09484 103.6615 11.43919 132.9077 4.776736 -29.24620      12.39646 
1 1 1 -11 7  18 o 179.2200 4.643184 437.4062       19.37479 425.8462      38.55835 441.3108       22.40925 177.5050 8.067229 180.9350 4.599614 -3.429932      9.286368 
1 1 1 -11 7  19 f 325.3539 4.844407 1447.726       40.47434 1361.960      67.33164 1496.252       50.64614 317.5905 7.873509 333.1174 5.646322 -15.52695      9.688813 
1 1 1 -11 7  20 f 79.88687 7.507299 80.31734       15.19206 104.3953      27.73823 69.99975       18.15759 87.80141 11.73259 71.97234 9.369341 15.82906       15.01460 
1 1 1 -11 7  21 o 177.6973 4.384624 423.3821       20.03665 433.4815      33.97240 417.9951       24.81150 179.2786 7.037435 176.1160 5.232038 3.162643       8.769248 
1 1 1 -11 7  22 o 144.2678 5.550777 280.8122       21.54570 296.1020      30.69632 265.9646       30.24905 148.1445 7.695154 140.3911 8.001820 7.753403       11.10155 
1 1 1 -11 7  23 o 236.6767 4.875581 755.6397       31.05289 793.7596      44.49799 719.4527       43.35513 242.4985 6.814721 230.8549 6.974578 11.64355       9.751162 
1 1 1 -11 7  24 o 77.06997 10.94254 85.24539       21.89985 96.21921      28.86049 70.34953       33.62465 84.02231 12.75633 70.11763 17.78294 13.90468       21.88509 
1 1 1 -11 7  25 o 140.2143 7.060034 262.9582       26.45433 233.9906      34.93719 301.8856       40.50040 131.3075 9.881323 149.1211 10.08642 -17.81361      14.12007 
1 1 1 -11 7  26 o 237.8700 10.34326 770.3611       66.24919 0.000000      0.000000 770.3611       66.24919 ?        ?        237.8700 10.34326 ?              ?        
1 1 1 -11 7  27 o 49.36114 15.63247 -62.23141      50.65125 22.39112      61.06076 -248.9280      90.69582 59.18510 24.18041 39.53718 19.81928 19.64792       31.26493 
1 1 1 -11 7  28 o 95.95242 17.76720 144.4790       43.46921 136.6075      51.61859 163.6731       80.60522 93.88901 20.94961 98.01583 28.70205 -4.126823      35.53440 
1 1 1 -11 7  29 o 80.28874 14.71032 109.3129       35.79072 145.1351      44.59732 44.49518       59.99009 99.72945 16.60741 60.84804 24.28513 38.88140       29.42064 
1 1 1 -11 7  30 o 54.88509 17.47255 22.53366       42.81285 35.86074      44.74988 -121.4880      147.1087 52.90509 21.01882 56.86510 27.91719 -3.960011      34.94510 
1 1 1 -11 7  31 o 65.80608 19.59184 76.65562       44.34912 70.33013      46.62094 136.8549       143.8235 61.69342 22.10791 69.91872 32.35121 -8.225300      39.18368 
1 1 1 -11 7  32 o 44.01262 14.90007 -1.216396      48.21488 9.724648      56.63005 -30.04414      91.92272 43.32976 20.13587 44.69548 21.96804 -1.365726      29.80013 
1 1 1 -11 9  1  o 284.7086 4.325145 1108.255       31.06251 1140.243      38.10184 1044.861       53.63838 290.9596 4.863286 278.4577 7.153738 12.50189       8.650290 
1 1 1 -11 9  2  o 545.5956 7.314607 3967.855       99.40431 3895.793      119.1613 4132.751       180.2558 537.6837 8.230477 553.5074 12.09434 -15.82373      14.62921 
1 1 1 -11 9  3  o 184.2914 2.545165 455.3590       12.56824 438.7027      16.83399 476.3365       18.89183 180.5010 3.463570 188.0818 3.730301 -7.580811      5.090331 
1 1 1 -11 9  4  o 127.4298 2.535279 218.0256       8.550360 215.3300      11.07895 221.9959       13.44593 126.4600 3.253586 128.3996 3.889054 -1.939598      5.070559 
1 1 1 -11 9  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 9  6  o 180.5599 2.685735 438.1765       12.94869 445.1762      19.69494 432.8471       17.18501 181.8262 4.022674 179.2936 3.559603 2.532562       5.371469 
1 1 1 -11 9  7  o 785.9463 8.352172 8328.014       176.7547 8320.697      250.4972 8335.269       249.4438 785.5997 11.84181 786.2928 11.78162 -0.6931763     16.70434 
1 1 1 -11 9  8  o 224.7543 3.845479 701.9344       21.17563 627.0999      37.97533 735.7030       25.50975 215.7679 6.536291 233.7406 4.053113 -17.97275      7.690957 
1 1 1 -11 9  9  o 227.6877 3.814740 685.6817       20.29407 723.5305      40.99841 673.3982       23.35618 231.7530 6.569892 223.6224 3.878851 8.130676       7.629480 
1 1 1 -11 9  10 o 49.73115 8.384789 39.62477       10.42634 18.05499      21.52862 46.23412       11.91717 40.89127 14.97070 58.57104 7.556257 -17.67977      16.76958 
1 1 1 -11 9  11 o 91.66649 5.481269 112.0946       12.21580 116.1187      23.07161 110.5270       14.39988 92.76763 9.236301 90.56535 5.904913 2.202286       10.96254 
1 1 1 -11 9  12 f 178.4904 4.013630 429.6053       17.66250 428.7350      32.28110 429.9772       21.10122 178.3253 6.722828 178.6554 4.386398 -0.3301392     8.027260 
1 1 1 -11 9  13 o 55.25175 10.85696 39.32170       15.09176 50.43906      30.09958 35.58826       17.44271 60.22021 17.51213 50.28329 12.83822 9.936928       21.71392 
1 1 1 -11 9  14 o 247.7597 4.535501 835.0699       26.71617 813.3517      51.50745 843.0634       31.24826 245.4160 7.794418 250.1033 4.640053 -4.687286      9.071001 
1 1 1 -11 9  15 o 304.0797 5.283941 1230.175       41.16011 1310.543      70.99860 1189.490       50.51513 311.2944 8.470226 296.8650 6.319447 14.42941       10.56788 
1 1 1 -11 9  16 o 86.68120 9.302120 95.46640       19.48431 117.7714      38.54207 87.80910       22.58247 92.86588 15.41330 80.49652 10.41864 12.36935       18.60424 
1 1 1 -11 9  17 o 104.8405 8.121550 157.0924       18.55756 135.4704      39.20027 163.3378       21.06789 99.69664 14.60243 109.9844 7.113879 -10.28777      16.24310 
1 1 1 -11 9  18 o 93.58833 8.317400 88.44613       17.74697 188.3552      40.79274 65.12167       19.70998 117.8136 12.85891 69.36308 10.55296 48.45052       16.63480 
1 1 1 -11 9  19 o 328.8802 5.418499 1434.096       45.33170 1537.559      79.46188 1384.178       55.19446 337.3958 8.746530 320.3647 6.398341 17.03107       10.83700 
1 1 1 -11 9  20 o 79.99933 10.06602 78.98610       18.46950 108.6333      38.72501 70.25647       21.01347 87.91474 16.97328 72.08391 10.82620 15.83083       20.13204 
1 1 1 -11 9  21 o 240.7318 4.910207 767.3394       30.97286 841.5848      50.91677 723.7288       39.02317 249.7692 7.570743 231.6943 6.254950 18.07494       9.820415 
1 1 1 -11 9  22 o 103.8034 7.320835 146.7342       20.06116 140.2276      31.26278 151.2889       26.15671 101.7847 11.40674 105.8221 9.179589 -4.037399      14.64167 
1 1 1 -11 9  23 o 123.0097 6.500097 203.1422       21.43062 231.5127      31.92073 179.8607       28.91643 130.7724 9.065112 115.2470 9.318196 15.52548       13.00019 
1 1 1 -11 9  24 o 77.84325 11.52748 86.37410       23.39760 96.27695      33.44467 76.88136       32.74483 82.42000 15.64210 73.26650 16.93683 9.153496       23.05497 
1 1 1 -11 9  25 o 271.7859 8.448359 1001.789       61.82763 1001.789      61.82763 0.000000       0.000000 271.7859 8.448359 ?        ?        ?              ?        
1 1 1 -11 9  26 o 34.43207 11.94421 -91.51934      35.77047 -108.0530     46.04006 -66.33926      56.81713 29.52895 14.69545 39.33519 18.83348 -9.806232      23.88841 
1 1 1 -11 9  27 f 130.7979 15.92964 329.0165       55.00731 508.7652      69.42667 25.89169       90.15800 192.5230 13.39246 69.07287 28.90770 123.4501       31.85927 
1 1 1 -11 9  28 o 79.50485 16.76744 106.7936       38.29571 117.0978      45.87936 83.12059       69.54031 86.44475 20.09223 72.56496 26.84941 13.87979       33.53488 
1 1 1 -11 9  29 o 85.91429 16.06133 119.8827       37.01854 106.6962      47.25079 140.8396       59.56731 80.74638 21.39095 91.08219 23.96440 -10.33581      32.12265 
1 1 1 -11 9  30 o 66.64917 15.24056 71.18747       37.40659 131.5075      51.77577 5.323653       54.10274 86.44366 22.14488 46.85468 20.94524 39.58898       30.48112 
1 1 1 -11 9  31 o 65.57916 16.42556 87.37505       38.09914 49.88457      50.77576 135.6775       57.63422 52.62189 21.83006 78.53642 24.54881 -25.91453      32.85112 
1 1 1 -11 11 1  o 201.6211 4.144338 544.5858       18.85433 541.7900      21.42128 554.1989       39.72155 200.5470 3.966852 202.6952 7.277789 -2.148209      8.288675 
1 1 1 -11 11 2  o 194.3669 3.868212 476.5556       16.45229 455.2128      18.30973 566.0272       37.48858 183.8392 3.698796 204.8945 6.794937 -21.05525      7.736424 
1 1 1 -11 11 3  o 241.9803 4.529645 794.1993       27.77043 774.8234      47.98015 803.9600       34.05424 239.6948 7.433951 244.2659 5.177557 -4.571152      9.059290 
1 1 1 -11 11 4  o 431.3357 5.971752 2518.202       64.58822 2487.193      114.1886 2532.791       78.32093 429.2156 9.880160 433.4558 6.710420 -4.240143      11.94350 
1 1 1 -11 11 5  o 526.4878 6.715851 3748.056       81.89034 3726.863      165.1459 3754.966       94.30038 525.1743 11.67834 527.8013 6.635286 -2.627014      13.43170 
1 1 1 -11 11 6  o 181.1631 4.095374 413.3004       14.03968 484.0833      38.37780 402.3638       15.08537 189.4754 7.522182 172.8508 3.241165 16.62462       8.190748 
1 1 1 -11 11 7  o 296.3857 4.424169 1160.956       28.95739 1224.509      63.41595 1144.213       32.54888 301.3175 7.816112 291.4538 4.147466 9.863708       8.848337 
1 1 1 -11 11 8  o 185.3784 4.426049 488.7164       20.16382 396.9186      34.92482 534.6150       24.69552 171.5509 7.560628 199.2060 4.603968 -27.65515      8.852098 
1 1 1 -11 11 9  o 578.7701 7.729374 4461.929       110.8466 4692.034      203.3014 4364.586       132.2303 588.8318 12.82229 568.7083 8.634912 20.12354       15.45875 
1 1 1 -11 11 10 o 259.5020 4.435738 913.5837       30.03595 884.6899      48.52899 931.5248       38.24054 256.1068 7.037150 262.8972 5.401999 -6.790497      8.871475 
1 1 1 -11 11 11 o 477.0096 6.546808 3087.427       80.40578 3035.880      134.5762 3116.044       100.2705 473.6133 10.55264 480.4059 7.751426 -6.792572      13.09362 
1 1 1 -11 11 12 o 427.0268 5.987006 2474.483       66.38556 2423.488      108.8662 2504.669       83.76065 423.3000 9.551273 430.7536 7.221506 -7.453552      11.97401 
1 1 1 -11 11 13 o 143.4245 5.483604 273.9434       20.81461 298.9316      33.17294 257.7171       26.73163 148.7054 8.284644 138.1435 7.186400 10.56186       10.96721 
1 1 1 -11 11 14 o 215.3982 4.793420 633.3884       27.35805 582.1205      41.60410 672.4464       36.31353 207.5693 7.443713 223.2271 6.041409 -15.65775      9.586840 
1 1 1 -11 11 15 o 223.2186 4.966578 684.6035       29.18923 608.7510      44.78326 740.6289       38.48788 212.1925 7.837947 234.2447 6.101981 -22.05219      9.933156 
1 1 1 -11 11 16 o 168.1389 6.149827 391.0363       25.93012 356.7588      44.84306 408.2547       31.78234 162.3467 10.25813 173.9311 6.786178 -11.58443      12.29965 
1 1 1 -11 11 17 o 236.0171 5.219964 737.0109       30.68445 790.4276      56.01838 714.1139       36.67592 241.9054 8.600061 230.1288 5.918703 11.77658       10.43993 
1 1 1 -11 11 18 f 75.96370 11.56157 86.58300       20.06222 66.20694      41.60244 92.75735       22.90100 69.10926 20.71759 82.81814 10.26941 -13.70888      23.12314 
1 1 1 -11 11 19 o 287.0535 5.310865 1078.399       37.89570 1197.584      69.95854 1028.904       45.08282 297.8422 8.723106 276.2648 6.060411 21.57733       10.62173 
1 1 1 -11 11 20 o 80.64288 11.49568 88.60145       19.97071 92.48731      44.82869 87.63931       22.30648 80.75334 20.56176 80.53242 10.28672 0.2209244      22.99136 
1 1 1 -11 11 21 o 61.69239 12.22134 59.49294       21.06794 17.17087      44.31956 71.84850       23.94658 51.64072 20.78087 71.74407 12.86859 -20.10336      24.44269 
1 1 1 -11 11 22 o 512.5689 6.846443 3475.023       90.76138 3854.927      154.4923 3274.802       112.1567 533.0913 10.76272 492.0465 8.465166 41.04480       13.69289 
1 1 1 -11 11 23 o 139.6712 7.333249 269.2914       26.27631 250.2965      43.61539 280.1135       32.92141 135.5372 11.95083 143.8052 8.501989 -8.267990      14.66650 
1 1 1 -11 11 24 o 248.0424 8.227180 833.6137       54.94907 833.6137      54.94907 0.000000       0.000000 248.0424 8.227180 ?        ?        ?              ?        
1 1 1 -11 11 25 o 154.5476 8.238855 325.5407       33.98156 269.9974      46.70985 387.9892       49.52827 140.4375 12.35213 168.6577 10.90596 -28.22011      16.47771 
1 1 1 -11 11 26 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 27 o 43.77242 13.89396 -22.46316      35.89757 10.42934      47.53526 -66.11706      54.76196 49.06069 20.78537 38.48413 18.44280 10.57656       27.78792 
1 1 1 -11 11 28 o 61.96267 22.40498 55.42751       48.00402 0.000000      0.000000 55.42751       48.00402 ?        ?        61.96267 22.40498 ?              ?        
1 1 1 -11 11 29 o 115.9076 12.46162 209.0219       37.16747 257.9721      53.59042 163.6545       51.59200 131.4866 15.13639 100.3285 19.80045 31.15806       24.92325 
1 1 1 -11 11 30 o 104.0051 14.30995 190.0172       38.96571 251.5385      56.58714 134.5412       53.73508 124.6386 16.86094 83.37168 23.12589 41.26694       28.61989 
1 1 1 -11 11 31 o 76.12144 13.26456 126.9198       31.78598 164.5160      39.41920 57.03304       53.74444 99.96973 14.64387 52.27316 22.12129 47.69657       26.52912 
1 1 1 -11 13 1  o 158.6633 6.247089 340.2419       26.22499 341.9472      41.14085 339.0747       34.03646 158.9300 9.613553 158.3965 7.980232 0.5335236      12.49418 
1 1 1 -11 13 2  o 213.9845 5.486249 620.1207       31.36739 604.2753      47.05581 632.7925       42.08040 211.4718 8.263755 216.4972 7.218454 -5.025391      10.97250 
1 1 1 -11 13 3  o 200.8370 4.363581 537.0605       19.13251 556.1832      42.36529 532.1612       21.44380 202.9418 7.752743 198.7322 4.007285 4.209610       8.727162 
1 1 1 -11 13 4  o 299.4847 4.544849 1226.705       29.45115 1181.977      64.81757 1238.341       33.06097 295.8128 8.137527 303.1567 4.050094 -7.343903      9.089698 
1 1 1 -11 13 5  o 205.0738 7.776021 567.8895       42.93892 567.8895      42.93892 0.000000       0.000000 205.0738 7.776021 ?        ?        ?              ?        
1 1 1 -11 13 6  o 286.9010 5.083563 1109.608       39.27206 0.000000      0.000000 1109.608       39.27206 ?        ?        286.9010 5.083563 ?              ?        
1 1 1 -11 13 7  o 151.2777 5.240227 301.8649       18.02911 322.2577      37.98382 295.9344       20.48359 154.3932 9.136651 148.1622 5.134348 6.231003       10.48045 
1 1 1 -11 13 8  o 138.9665 5.500049 260.1665       18.08724 262.1393      35.42137 259.4707       21.03657 139.2203 9.448856 138.7127 5.632162 0.5075989      11.00010 
1 1 1 -11 13 9  o 172.5450 4.540091 398.0486       19.78622 412.2568      34.90358 391.3207       24.01827 174.7292 7.418585 170.3609 5.235866 4.368362       9.080182 
1 1 1 -11 13 10 o 258.9073 4.164401 903.4731       28.36264 908.7455      45.28851 900.0708       36.38055 259.4702 6.482121 258.3443 5.229823 1.125885       8.328802 
1 1 1 -11 13 11 o 128.1090 5.870913 223.5678       18.27841 218.3280      34.02493 225.6934       21.67099 126.9150 9.956369 129.3031 6.224241 -2.388115      11.74183 
1 1 1 -11 13 12 o 142.2315 5.651776 280.8142       20.21490 251.8426      34.59841 295.8305       24.90877 136.4043 9.419864 148.0587 6.247915 -11.65434      11.30355 
1 1 1 -11 13 13 o 122.0014 6.276831 202.5884       19.57442 197.8258      33.20952 205.1239       24.23100 120.7920 10.21036 123.2109 7.303632 -2.418854      12.55366 
1 1 1 -11 13 14 o 168.0079 5.028865 385.6908       22.30317 354.5784      34.34394 408.3808       29.32923 162.0278 7.871855 173.9881 6.260339 -11.96022      10.05773 
1 1 1 -11 13 15 o 257.8460 4.980012 897.3204       33.45018 896.5157      54.71483 897.8008       42.26941 257.6788 7.885750 258.0132 6.084164 -0.3343811     9.960025 
1 1 1 -11 13 16 o 278.1581 5.339199 1051.286       38.47078 1017.683      63.25727 1071.009       48.46336 274.5121 8.557866 281.8042 6.386791 -7.292053      10.67840 
1 1 1 -11 13 17 o 371.6390 5.962579 1848.083       55.86328 1912.201      98.87811 1818.021       67.70399 376.1519 9.762332 367.1262 6.848816 9.025665       11.92516 
1 1 1 -11 13 18 o 151.4757 6.767227 322.9216       25.07726 277.5219      44.55008 343.9790       30.34061 143.2460 11.55002 159.7054 7.055396 -16.45937      13.53445 
1 1 1 -11 13 19 o 300.0607 5.639222 1253.866       42.90794 1091.688      71.60136 1344.741       53.59785 284.3073 9.352978 315.8141 6.302785 -31.50681      11.27844 
1 1 1 -11 13 20 o 165.5473 6.808571 361.5748       25.64246 388.0324      54.04627 353.8888       29.12988 169.1538 11.86590 161.9407 6.680349 7.213074       13.61714 
1 1 1 -11 13 21 o 126.6984 8.935401 225.5570       23.15549 207.6217      54.04466 229.5896       25.62682 123.0510 16.31114 130.3458 7.301535 -7.294830      17.87080 
1 1 1 -11 13 22 o 91.19771 11.90221 107.0653       22.97061 134.1847      53.24966 100.8650       25.46144 96.27983 21.12063 86.11559 10.98039 10.16425       23.80441 
1 1 1 -11 13 23 o 52.39384 12.15782 26.64921       27.07560 -83.51138     51.37224 69.01891       31.85980 35.50166 17.22207 69.28603 17.16539 -33.78437      24.31565 
1 1 1 -11 13 24 o 93.72267 14.01359 140.4841       33.31263 81.09756      56.87215 171.5015       41.10160 75.70057 24.47303 111.7448 13.65992 -36.04421      28.02718 
1 1 1 -11 13 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 13 26 o 42.12865 13.47141 -19.47877      32.91275 -31.81643     46.61378 -7.212982      46.47781 39.71170 18.38967 44.54560 19.69099 -4.833897      26.94281 
1 1 1 -11 13 27 f 134.3085 8.707037 251.3944       31.26836 234.1599      41.36307 274.3766       47.76487 129.1851 11.89096 139.4319 12.72222 -10.24683      17.41407 
1 1 1 -11 13 28 o 75.27451 15.10673 95.11004       32.03911 100.6773      46.26973 89.98180       44.40788 77.32343 21.46342 73.22559 21.26441 4.097839       30.21346 
1 1 1 -11 13 29 o 43.03027 13.58799 -6.875245      34.40463 -50.87434     49.67645 33.68387       47.69501 35.48366 17.14629 50.57689 21.08408 -15.09323      27.17597 
1 1 1 -11 13 30 f 42.93849 13.60411 17.30215       32.88560 28.73550      43.63544 2.270638       50.03269 44.99416 19.50028 40.88282 18.97436 4.111336       27.20823 
1 1 1 -11 15 1  o 243.5371 5.703980 801.0760       37.37752 814.6337      54.07467 788.6718       51.72330 245.4957 8.180250 241.5785 7.951419 3.917221       11.40796 
1 1 1 -11 15 2  o 342.6359 5.318108 1593.109       44.76203 1570.965      82.04285 1602.494       53.41212 340.6602 8.944085 344.6116 5.756076 -3.951385      10.63622 
1 1 1 -11 15 3  o 160.0123 4.973082 340.4307       15.76355 353.8560      39.58726 337.9008       17.18474 161.6855 9.092873 158.3392 4.030613 3.346268       9.946164 
1 1 1 -11 15 4  f 48.51351 9.541007 32.85368       10.43293 27.34231      27.19080 33.80514       11.29765 47.77561 16.90879 49.25141 8.843982 -1.475803      19.08201 
1 1 1 -11 15 5  o 285.1360 5.109815 1096.339       39.23202 0.000000      0.000000 1096.339       39.23202 ?        ?        285.1360 5.109815 ?              ?        
1 1 1 -11 15 6  o 247.4327 3.926942 825.9456       25.31130 825.2726      41.40533 826.3472       31.98314 247.2935 6.218134 247.5719 4.797738 -0.2783356     7.853883 
1 1 1 -11 15 7  o 508.4036 5.743318 3493.642       78.52125 3503.180      114.0664 3485.051       108.2532 509.0116 8.322360 507.7956 7.917140 1.216003       11.48664 
1 1 1 -11 15 8  o 97.08352 6.570427 123.2582       15.91170 139.1605      29.27673 116.5918       18.95573 101.2838 10.73493 92.88326 7.579135 8.400513       13.14085 
1 1 1 -11 15 9  o 140.4354 5.082222 274.2833       17.89606 244.0854      30.73047 289.7801       22.01414 134.3166 8.496814 146.5541 5.578537 -12.23752      10.16444 
1 1 1 -11 15 10 o 205.7565 4.180709 567.1874       22.51097 587.6538      36.71267 554.8564       28.49657 208.6644 6.534076 202.8486 5.217197 5.815857       8.361418 
1 1 1 -11 15 11 o 132.1684 5.456710 233.6407       18.57285 243.5684      31.52106 228.3610       22.98697 134.2429 8.720196 130.0938 6.562083 4.149033       10.91342 
1 1 1 -11 15 12 o 299.4282 4.317614 1209.816       34.53024 1205.218      52.20504 1213.392       46.04016 298.8870 6.486673 299.9695 5.700021 -1.082428      8.635228 
1 1 1 -11 15 13 o 127.0612 6.219019 222.9916       20.36596 199.8896      33.11834 237.0405       25.82645 121.5820 10.11617 132.5404 7.236574 -10.95846      12.43804 
1 1 1 -11 15 14 o 148.3650 5.740779 301.5983       22.46211 272.0352      34.46552 323.4267       29.61567 141.9024 9.020108 154.8275 7.103788 -12.92513      11.48156 
1 1 1 -11 15 15 o 211.0444 5.035173 606.9474       28.21912 557.9435      42.58204 645.3211       37.68152 203.3312 7.777482 218.7576 6.397082 -15.42636      10.07035 
1 1 1 -11 15 16 o 262.4010 4.833385 921.3864       33.80684 976.8220      52.22791 881.4095       44.35196 269.1185 7.207350 255.6834 6.442090 13.43509       9.666769 
1 1 1 -11 15 17 o 318.3934 5.012347 1370.634       42.83154 1317.722      62.42128 1417.711       58.87963 312.5456 7.417131 324.2413 6.743935 -11.69568      10.02469 
1 1 1 -11 15 18 o 157.8838 7.109474 360.2011       28.20038 238.9239      43.03342 451.4805       37.33384 132.8463 12.03020 182.9213 7.579753 -50.07498      14.21895 
1 1 1 -11 15 19 o 129.1092 9.310614 262.8835       26.70994 157.6609      48.76437 307.9817       31.92479 107.2626 16.88383 150.9557 7.854074 -43.69314      18.62123 
1 1 1 -11 15 20 o 44.54988 12.78448 13.37164       23.13723 -16.21108     45.88393 23.45859       26.79301 43.41962 19.35794 45.68013 16.70455 -2.260506      25.56897 
1 1 1 -11 15 21 o 162.7843 7.212055 358.3062       31.61221 0.000000      0.000000 358.3062       31.61221 ?        ?        162.7843 7.212055 ?              ?        
1 1 1 -11 15 22 o 188.2172 6.780235 487.1224       31.76250 466.7091      56.41267 496.5974       38.43335 184.9393 11.32828 191.4951 7.453616 -6.555832      13.56047 
1 1 1 -11 15 23 o 59.06628 13.39694 41.72114       32.29797 -69.46799     58.55212 90.34949       38.72186 40.16594 19.20103 77.96663 18.68776 -37.80069      26.79388 
1 1 1 -11 15 24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 15 25 o 40.31976 13.12734 -33.95706      32.62355 -5.689513     50.69911 -53.93248      42.61909 46.69326 20.60680 33.94627 16.26863 12.74700       26.25468 
1 1 1 -11 15 26 o 48.99446 14.05213 21.79450       28.91786 18.28289      42.23596 24.89332       39.67603 48.43122 19.98572 49.55770 19.75905 -1.126480      28.10426 
1 1 1 -11 15 27 o 48.71076 14.54364 17.07350       31.61169 35.40995      52.63784 6.729620       39.53504 54.56009 22.38912 42.86143 18.56872 11.69867       29.08728 
1 1 1 -11 15 28 o 46.76667 14.43957 14.30669       35.80391 -26.76809     60.84228 36.06602       44.28336 42.76527 20.18887 50.76807 20.64980 -8.002804      28.87914 
1 1 1 -11 15 29 o 51.60892 15.21917 48.91080       38.99497 -3.268879     63.31359 80.80178       49.49715 43.10248 20.42192 60.11538 22.57073 -17.01290      30.43834 
1 1 1 -11 17 1  o 285.6633 3.727790 1100.025       28.66953 1076.086      40.50305 1124.063       40.58675 282.5450 5.323738 288.7816 5.219529 -6.236572      7.455580 
1 1 1 -11 17 2  o 381.7768 4.510934 1964.718       46.36032 1909.156      64.77474 2023.071       66.38158 376.2442 6.393703 387.3094 6.365114 -11.06519      9.021869 
1 1 1 -11 17 3  o 199.0175 3.443999 532.9957       18.16674 538.3292      28.37642 529.2914       23.64833 199.8424 5.273350 198.1925 4.431286 1.649857       6.887999 
1 1 1 -11 17 4  o 218.4287 5.376264 643.1706       31.62085 643.1706      31.62085 0.000000       0.000000 218.4287 5.376264 ?        ?        ?              ?        
1 1 1 -11 17 5  o 275.8451 3.859658 1027.254       28.55000 1008.892      42.13136 1042.845       38.82285 273.5444 5.719975 278.1457 5.183602 -4.601257      7.719317 
1 1 1 -11 17 6  f 273.6350 3.882408 1010.435       28.46429 999.1852      42.29157 1019.751       38.48617 272.2221 5.769618 275.0479 5.196525 -2.825806      7.764816 
1 1 1 -11 17 7  o 290.2620 4.072850 1132.618       31.56167 1161.063      48.13099 1111.158       41.80452 293.4248 6.091785 287.0992 5.407642 6.325623       8.145700 
1 1 1 -11 17 8  o 148.6827 4.769461 293.5079       18.35587 314.9849      30.98909 281.8997       22.78270 152.7708 7.533297 144.5946 5.851535 8.176208       9.538922 
1 1 1 -11 17 9  o 377.4521 4.654788 1923.485       47.24989 1876.920      68.03909 1966.861       65.66689 373.0152 6.774054 381.8891 6.385954 -8.873871      9.309577 
1 1 1 -11 17 10 o 166.9284 4.593478 368.0222       19.94792 405.4124      33.44178 347.3703       24.85365 173.3414 7.164796 160.5155 5.750290 12.82585       9.186955 
1 1 1 -11 17 11 o 232.1034 4.317019 719.2813       26.21336 756.1108      42.92194 697.3732       33.10413 236.7557 6.732796 227.4511 5.405188 9.304611       8.634037 
1 1 1 -11 17 12 o 566.6520 6.370871 4336.521       97.19922 4263.516      137.1970 4410.090       137.7254 561.8522 9.068577 571.4517 8.950582 -9.599548      12.74174 
1 1 1 -11 17 13 o 338.4124 4.605033 1545.364       41.87231 1524.371      61.02757 1564.037       57.55745 336.2213 6.740894 340.6035 6.275799 -4.382202      9.210066 
1 1 1 -11 17 14 o 290.2896 4.602531 1133.760       35.70292 1155.443      54.15197 1117.088       47.48540 292.7154 6.870452 287.8638 6.126178 4.851593       9.205063 
1 1 1 -11 17 15 o 121.5297 7.414730 196.8710       23.99289 217.7178      37.44356 182.3488       31.25177 126.8902 10.95887 116.1693 9.990796 10.72090       14.82946 
1 1 1 -11 17 16 o 169.0660 5.944204 384.4859       26.96183 402.3696      40.20977 369.8770       36.34244 172.6098 8.651324 165.5222 8.154068 7.087601       11.88841 
1 1 1 -11 17 17 o 85.03682 11.77507 100.2575       26.31121 151.9843      39.26929 58.11871       35.44347 105.6207 13.80768 64.45293 19.07765 41.16778       23.55013 
1 1 1 -11 17 18 o 126.7443 8.266078 217.6610       27.86003 224.0400      43.18835 213.1145       36.46059 128.2334 12.50784 125.2552 10.81046 2.978134       16.53216 
1 1 1 -11 17 19 o 120.8364 8.697679 199.5101       27.63567 197.2598      43.95528 200.9811       35.53834 120.1018 13.59184 121.5710 10.85635 -1.469231      17.39536 
1 1 1 -11 17 20 o 28.78408 14.50574 -162.5573      52.04454 -162.5573     52.04454 0.000000       0.000000 28.78408 14.50574 ?        ?        ?              ?        
1 1 1 -11 17 21 o 130.1558 9.476338 237.9296       30.38060 217.5198      54.17130 247.2944       36.69445 125.4807 16.03278 134.8309 10.10712 -9.350143      18.95268 
1 1 1 -11 17 22 o 31.30629 11.03181 -132.0421      37.43012 -234.7553     66.32496 -84.04240      45.34020 30.64233 15.54772 31.97024 15.65477 -1.327915      22.06362 
1 1 1 -11 17 23 o 35.30186 12.29577 -94.49332      38.96250 -99.44786     64.89233 -91.70033      48.72221 38.51922 18.83330 32.08451 15.81298 6.434715       24.59154 
1 1 1 -11 17 24 o 90.90937 12.13493 130.2801       28.18951 81.08144      41.79007 171.3573       38.18534 71.80902 20.56337 110.0097 12.89087 -38.20070      24.26987 
1 1 1 -11 17 25 o 35.74084 11.76970 -32.99212      28.62817 -72.92886     46.13755 -7.989439      36.50578 32.88452 16.03516 38.59718 17.23301 -5.712658      23.53939 
1 1 1 -11 17 26 o 43.96016 13.99791 -5.684383      31.50739 16.18685      58.61362 -14.57236      37.36486 51.23228 22.39642 36.68803 16.79780 14.54425       27.99581 
1 1 1 -11 17 27 o 72.99049 14.42991 64.50620       33.53758 199.9782      61.08760 6.056198       40.12550 104.7203 22.34490 41.26068 18.26458 63.45961       28.85983 
1 1 1 -11 17 28 o 51.85138 14.68959 50.93517       33.14864 20.78178      48.52076 77.32728       45.39381 44.01352 19.74373 59.68924 21.75595 -15.67572      29.37918 
1 1 1 -11 19 1  o 571.0315 6.314759 4397.838       97.02558 4293.520      134.1566 4512.243       140.4923 563.9553 8.834542 578.1077 9.025275 -14.15234      12.62952 
1 1 1 -11 19 2  o 442.3056 5.065165 2636.511       60.29616 2576.449      83.69592 2701.319       86.93984 437.0780 7.111512 447.5331 7.214567 -10.45514      10.13033 
1 1 1 -11 19 3  o 456.8381 5.217925 2815.022       64.18563 2822.895      91.05074 2807.245       90.49619 457.4716 7.391558 456.2046 7.366942 1.266998       10.43585 
1 1 1 -11 19 4  o 121.1363 4.293392 199.2285       13.87325 168.9766      19.71294 228.9149       19.52784 111.9477 6.539629 130.3249 5.564721 -18.37725      8.586784 
1 1 1 -11 19 5  o 482.7377 5.476632 3143.043       71.17709 3084.734      99.61835 3203.856       101.7342 478.1661 7.737081 487.3092 7.753165 -9.143036      10.95326 
1 1 1 -11 19 6  f 399.2471 4.772850 2150.130       51.28902 2120.621      73.28051 2178.467       71.80912 396.5503 6.862887 401.9439 6.634844 -5.393677      9.545699 
1 1 1 -11 19 7  o 218.4890 3.993297 643.8401       23.41324 638.1318      34.48639 648.7208       31.88863 217.5796 5.886350 219.3983 5.397829 -1.818695      7.986593 
1 1 1 -11 19 8  o 152.3463 4.686939 309.1777       18.83580 331.1910      30.24069 295.2240       24.07650 156.7042 7.166838 147.9884 6.042021 8.715836       9.373878 
1 1 1 -11 19 9  o 571.3264 6.370535 4406.538       97.99802 4338.698      138.0319 4475.485       139.1552 566.8870 9.042727 575.7658 8.975741 -8.878784      12.74107 
1 1 1 -11 19 10 o 633.3912 7.018260 5419.305       119.6667 5438.259      171.3214 5401.247       167.2215 634.4501 10.02838 632.3323 9.821173 2.117798       14.03652 
1 1 1 -11 19 11 o 398.9298 4.997717 2143.938       53.55867 2181.891      78.78249 2111.324       73.03091 402.1874 7.274745 395.6721 6.854690 6.515289       9.995434 
1 1 1 -11 19 12 o 527.2991 6.064219 3749.641       85.97097 3818.831      125.5663 3688.587       117.9532 531.8416 8.768136 522.7567 8.379666 9.084900       12.12844 
1 1 1 -11 19 13 o 570.7524 6.500453 4397.049       99.77330 4495.462      145.4584 4309.605       137.1127 576.7367 9.366509 564.7681 9.016212 11.96857       13.00091 
1 1 1 -11 19 14 o 91.33948 9.711473 113.5911       22.93752 146.1822      34.53548 87.86659       30.68240 103.7044 12.36759 78.97457 14.97643 24.72981       19.42295 
1 1 1 -11 19 15 o 116.9156 7.745561 185.5450       24.26745 185.7311      36.13166 185.3921       32.75497 116.9220 11.47647 116.9092 10.40507 0.1278687E-01  15.49112 
1 1 1 -11 19 16 o 64.97499 12.38847 57.60301       25.47134 11.52131      36.71759 100.3505       35.36433 45.84948 18.74357 84.10051 16.20417 -38.25103      24.77694 
1 1 1 -11 19 17 o 106.3213 9.511712 153.8994       27.01594 159.2572      41.14989 149.8405       35.81572 107.8540 14.16933 104.7887 12.69334 3.065247       19.02342 
1 1 1 -11 19 18 o 42.92762 19.68447 -33.19951      51.57875 -33.19951     51.57875 0.000000       0.000000 42.92762 19.68447 ?        ?        ?              ?        
1 1 1 -11 19 19 o 182.0677 13.16920 454.2407       64.56184 454.2407      64.56184 0.000000       0.000000 182.0677 13.16920 ?        ?        ?              ?        
1 1 1 -11 19 20 o 36.13373 17.91102 -125.6398      65.76006 -125.6398     65.76006 0.000000       0.000000 36.13373 17.91102 ?        ?        ?              ?        
1 1 1 -11 19 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 19 22 o 126.5423 10.23192 240.5958       30.68082 189.0178      55.28826 263.5462       36.88040 114.6163 17.91443 138.4683 9.891490 -23.85202      20.46383 
1 1 1 -11 19 23 o 94.06525 11.98718 147.0928       27.66912 75.76513      43.10377 197.0830       36.08517 69.45930 21.14813 118.6712 11.29276 -49.21189      23.97436 
1 1 1 -11 19 24 o 64.87957 14.89711 70.65141       30.78814 43.24553      53.47286 84.24239       37.65623 57.30668 22.90882 72.45246 19.04944 -15.14578      29.79422 
1 1 1 -11 19 25 o 44.90127 13.85671 4.515161       34.11547 -75.50991     66.29548 33.33966       39.78796 39.75794 19.35044 50.04460 19.83920 -10.28666      27.71342 
1 1 1 -11 19 26 f 48.34761 14.71095 17.72800       31.90594 67.89945      59.19096 -2.820121      37.88027 58.91728 23.90766 37.77795 17.14852 21.13933       29.42190 
1 1 1 -11 19 27 o 36.72942 12.28383 -14.43526      32.13996 -10.97222     45.46573 -17.89436      45.43980 37.27140 17.55153 36.18744 17.19049 1.083961       24.56765 
1 1 1 -11 21 1  o 213.8674 3.568832 617.0244       20.54447 630.3885      28.89309 603.3577       29.21818 216.2163 4.962748 211.5185 5.130046 4.697723       7.137664 
1 1 1 -11 21 2  o 213.9729 3.551667 617.2103       20.42452 614.5777      28.00738 620.2006       29.84985 213.4957 4.871919 214.4501 5.169310 -0.9544067     7.103334 
1 1 1 -11 21 3  o 254.2495 3.808829 871.8530       26.07243 871.4631      36.58229 872.2556       37.16869 254.1953 5.344659 254.3038 5.428014 -0.1085663     7.617658 
1 1 1 -11 21 4  o 407.2113 4.835455 2235.448       52.96470 2176.351      72.91962 2301.443       77.05843 401.5370 6.744277 412.8856 6.931178 -11.34857      9.670911 
1 1 1 -11 21 5  o 269.6777 3.928069 979.2307       28.49536 1014.569      41.44619 947.5524       39.24121 274.2798 5.611866 265.0755 5.497806 9.204346       7.856138 
1 1 1 -11 21 6  o 170.8480 4.159374 393.6759       19.13210 384.6620      26.91283 402.8854       27.20326 168.8690 5.918696 172.8269 5.845562 -3.957855      8.318748 
1 1 1 -11 21 7  o 111.2182 5.698199 167.1166       17.05864 173.4220      24.31489 161.0048       23.93861 113.2881 7.970851 109.1482 8.145146 4.139862       11.39640 
1 1 1 -11 21 8  o 52.29376 11.29912 36.03793       17.49381 48.44466      26.68739 26.69023       23.16486 58.64127 16.30877 45.94625 15.64303 12.69502       22.59824 
1 1 1 -11 21 9  o 273.9821 4.274453 1013.060       31.35096 1011.965      46.92143 1013.942       42.13733 273.8145 6.364018 274.1496 5.708158 -0.3351440     8.548906 
1 1 1 -11 21 10 o 63.18893 11.29254 57.24791       19.04889 52.20760      29.98537 60.65843       24.66554 60.93203 17.40847 65.44584 14.38859 -4.513809      22.58509 
1 1 1 -11 21 11 o 270.4445 4.454617 983.9625       32.21564 1016.497      48.83686 958.8984       42.86471 274.3498 6.610887 266.5392 5.972489 7.810547       8.909234 
1 1 1 -11 21 12 o 331.1133 4.680336 1481.313       41.64236 1478.585      60.85128 1483.715       57.10908 330.7895 6.831791 331.4371 6.399126 -0.6475525     9.360672 
1 1 1 -11 21 13 o 207.0156 5.096796 580.3370       28.25111 571.2022      42.06808 587.8409       38.12807 205.4790 7.603298 208.5522 6.789639 -3.073257      10.19359 
1 1 1 -11 21 14 o 68.10223 13.33627 66.01677       25.37720 74.40762      36.47105 58.14117       35.33355 71.97700 18.66207 64.22748 19.05655 7.749519       26.67254 
1 1 1 -11 21 15 o 110.8036 14.82130 168.5722       44.22050 168.5722      44.22050 0.000000       0.000000 110.8036 14.82130 ?        ?        ?              ?        
1 1 1 -11 21 16 o 116.8627 17.74923 190.0092       55.85199 190.0092      55.85199 0.000000       0.000000 116.8627 17.74923 ?        ?        ?              ?        
1 1 1 -11 21 17 o 117.3442 12.02766 177.3150       33.96596 330.7345      56.96546 92.68272       42.30964 155.0471 13.64471 79.64128 19.81110 75.40587       24.05531 
1 1 1 -11 21 18 o 64.99541 22.87043 53.80750       49.67514 0.000000      0.000000 53.80750       49.67514 ?        ?        64.99541 22.87043 ?              ?        
1 1 1 -11 21 19 o 61.15436 27.17780 -16.17154      89.69920 -16.17154     89.69920 0.000000       0.000000 61.15436 27.17780 ?        ?        ?              ?        
1 1 1 -11 21 20 o 164.5859 16.43004 385.9000       72.81398 385.9000      72.81398 0.000000       0.000000 164.5859 16.43004 ?        ?        ?              ?        
1 1 1 -11 21 21 o 39.93063 12.86884 -18.73683      30.88774 -106.8519     64.52718 7.454491       35.18003 37.77371 18.53337 42.08756 17.85896 -4.313850      25.73769 
1 1 1 -11 21 22 o 50.00809 14.73683 13.84208       30.65660 49.75524      56.31550 -1.282512      36.54626 60.15203 23.67973 39.86415 17.54901 20.28788       29.47367 
1 1 1 -11 21 23 o 58.98460 14.29784 52.43572       34.10384 -30.29939     59.12666 93.68365       41.74837 43.10928 20.20997 74.85991 20.23042 -31.75063      28.59567 
1 1 1 -11 21 24 o 70.82715 14.71570 99.99836       34.41159 38.46051      60.04917 130.0885       41.99017 53.57772 23.04801 88.07658 18.30292 -34.49887      29.43141 
1 1 1 -11 21 25 o 52.48730 14.53465 54.01815       31.23238 31.94667      49.75067 68.37459       40.12422 46.91990 20.56928 58.05471 20.54092 -11.13482      29.06931 
1 1 1 -11 23 1  o 37.51987 9.828500 10.13586       15.60995 28.83156      19.21905 -26.10559      26.75863 45.88276 14.14898 29.15697 13.64566 16.72579       19.65700 
1 1 1 -11 23 2  o 301.4617 4.253816 1227.738       34.47351 1237.658      47.52358 1216.721       50.08286 302.7748 5.829160 300.1486 6.196828 2.626251       8.507631 
1 1 1 -11 23 3  o 299.6865 4.213686 1203.214       33.83954 1119.689      45.22762 1309.436       51.00409 287.9821 5.832500 311.3909 6.082970 -23.40875      8.427371 
1 1 1 -11 23 4  o 200.5561 4.200089 541.9653       22.60834 529.3466      30.61048 557.1107       33.53539 198.0126 5.741085 203.0996 6.132124 -5.086990      8.400179 
1 1 1 -11 23 5  o 200.7289 4.210096 544.2349       22.74370 548.8949      31.73829 539.3160       32.60826 201.6231 5.846013 199.8346 6.060014 1.788559       8.420193 
1 1 1 -11 23 6  o 130.2757 5.409809 228.8484       18.88545 262.3591      27.53153 199.0673       25.95431 139.2781 7.341150 121.2733 7.948059 18.00485       10.81962 
1 1 1 -11 23 7  o 348.4422 6.531878 1640.463       61.28471 1640.463      61.28471 0.000000       0.000000 348.4422 6.531878 ?        ?        ?              ?        
1 1 1 -11 23 8  o 265.4731 6.410034 952.0412       45.82097 952.0412      45.82097 0.000000       0.000000 265.4731 6.410034 ?        ?        ?              ?        
1 1 1 -11 23 9  o 210.5949 4.788782 599.4695       27.14992 588.0351      38.49933 610.7819       38.29307 208.5871 6.854604 212.6027 6.689105 -4.015610      9.577563 
1 1 1 -11 23 10 o 34.51585 10.90646 -27.98099      22.15012 9.185324      33.26202 -57.59576      29.69122 43.22248 17.77423 25.80921 12.64437 17.41327       21.81292 
1 1 1 -11 23 11 o 77.48134 12.75434 84.73588       25.95378 102.7570      40.10035 71.74519       34.04657 84.44055 18.17478 70.52213 17.89888 13.91843       25.50867 
1 1 1 -11 23 12 o 126.0571 8.840000 217.5724       29.51946 216.9562      46.00768 218.0035       38.48578 125.7186 13.59088 126.3956 11.30798 -0.6770325     17.68000 
1 1 1 -11 23 13 o 224.3504 5.857972 680.7958       35.25045 698.8694      52.49722 665.9560       47.56958 226.9987 8.588741 221.7022 7.968491 5.296570       11.71594 
1 1 1 -11 23 14 o 37.06239 12.39067 -41.71018      32.20212 -34.41013     48.98382 -47.26638      42.73451 39.63258 18.52069 34.49221 16.46509 5.140377       24.78134 
1 1 1 -11 23 15 o 31.79485 16.01177 -193.8069      62.80275 -193.8069     62.80275 0.000000       0.000000 31.79485 16.01177 ?        ?        ?              ?        
1 1 1 -11 23 16 o 115.6012 23.44611 194.1212       70.48579 194.1212      70.48579 0.000000       0.000000 115.6012 23.44611 ?        ?        ?              ?        
1 1 1 -11 23 17 o 108.8296 21.39760 181.9846       60.46902 181.9846      60.46902 0.000000       0.000000 108.8296 21.39760 ?        ?        ?              ?        
1 1 1 -11 23 18 o 95.67084 13.60649 120.1219       33.12273 219.0445      60.14688 77.06378       39.68195 121.1951 18.43082 70.14655 20.02128 51.04856       27.21299 
1 1 1 -11 23 19 o 114.5740 12.48992 200.2966       33.72589 180.7831      60.52220 209.0851       40.61668 107.2733 21.69810 121.8747 12.37677 -14.60140      24.97983 
1 1 1 -11 23 20 o 52.80787 15.31847 30.55634       34.47495 27.59423      54.24903 32.56298       44.65055 53.37447 22.38607 52.24128 20.91615 1.133190       30.63693 
1 1 1 -11 23 21 o 44.00475 13.98942 -2.396791      34.52401 -12.91314     53.81784 4.957192       45.00442 43.84620 20.10624 44.16330 19.45648 -0.3170967     27.97884 
1 1 1 -11 23 22 o 64.40488 15.81623 77.25942       33.23751 73.71115      55.17492 79.28046       41.64096 62.55712 23.75225 66.25265 20.89121 -3.695530      31.63245 
1 1 1 -11 23 23 o 43.75539 13.62556 5.882672       31.89527 57.84567      50.56492 -28.45463      41.10411 53.94548 22.01795 33.56531 16.05719 20.38017       27.25112 
1 1 1 -11 25 1  o 158.8615 6.501482 307.6453       26.06041 251.0081      30.93422 446.1176       48.36926 136.2419 8.432280 181.4810 9.898167 -45.23911      13.00296 
1 1 1 -11 25 2  o 99.12892 10.78533 160.3362       24.23583 206.7533      30.57815 81.91120       39.74656 123.3053 9.209709 74.95251 19.50575 48.35282       21.57065 
1 1 1 -11 25 3  o 155.6368 5.952325 339.3342       24.44248 368.8020      32.47278 300.8149       37.12654 163.9944 7.353719 147.2792 9.361811 16.71527       11.90465 
1 1 1 -11 25 4  o 42.03670 11.68594 14.37453       21.55888 37.76352      28.84116 -15.24416      32.45561 50.21408 17.44045 33.85932 15.55878 16.35477       23.37188 
1 1 1 -11 25 5  o 230.3625 4.806524 729.4133       29.77568 732.7380      41.13636 725.7547       43.15444 231.0395 6.612357 229.6856 6.977638 1.353912       9.613049 
1 1 1 -11 25 6  o 126.1047 7.292210 224.3417       24.75132 222.5067      34.46343 226.2965       35.57011 125.6425 10.18682 126.5669 10.43715 -0.9244080     14.58442 
1 1 1 -11 25 7  o 169.3401 6.275717 401.2497       28.57367 416.6514      39.92038 385.0698       40.91656 172.8822 8.575533 165.7981 9.165082 7.084106       12.55143 
1 1 1 -11 25 8  o 180.9207 6.130344 450.9003       29.86344 452.2859      42.09140 449.4959       42.37662 181.2212 8.625833 180.6202 8.713179 0.6009979      12.26069 
1 1 1 -11 25 9  o 225.3820 6.001964 688.3278       36.39004 732.0222      52.29987 647.3215       50.66561 232.3336 8.359979 218.4305 8.614234 13.90318       12.00393 
1 1 1 -11 25 10 o 115.0010 15.65318 180.7243       48.47162 0.000000      0.000000 180.7243       48.47162 ?        ?        115.0010 15.65318 ?              ?        
1 1 1 -11 25 11 o 167.1169 12.00947 379.4500       54.04152 379.4500      54.04152 0.000000       0.000000 167.1169 12.00947 ?        ?        ?              ?        
1 1 1 -11 25 12 o 209.2727 10.27954 604.1268       57.92547 604.1268      57.92547 0.000000       0.000000 209.2727 10.27954 ?        ?        ?              ?        
1 1 1 -11 25 13 o 124.9368 10.39189 220.5686       34.72160 259.6254      51.75564 188.6035       46.82177 135.1195 14.22513 114.7540 15.15293 20.36552       20.78378 
1 1 1 -11 25 14 o 70.77002 15.56843 77.38369       33.02784 67.36890      48.96981 85.74084       44.73390 67.13267 22.74473 74.40736 21.26456 -7.274696      31.13687 
1 1 1 -11 25 15 f 40.78075 13.09011 -16.12493      31.13075 -7.451854     46.03990 -23.43038      42.25436 43.30737 19.34327 38.25414 17.64204 5.053234       26.18021 
1 1 1 -11 25 16 o 122.2235 14.77906 214.2067       48.63903 214.2067      48.63903 0.000000       0.000000 122.2235 14.77906 ?        ?        ?              ?        
1 1 1 -11 25 17 o 69.19070 13.45483 70.37056       31.53605 137.1081      44.95056 5.682440       44.25499 93.52887 18.50394 44.85252 19.53800 48.67635       26.90965 
1 1 1 -11 25 18 o 115.8966 10.64910 202.7622       32.55253 235.0606      44.85474 166.8216       47.31628 127.1445 13.10169 104.6488 16.79164 22.49574       21.29820 
1 1 1 -11 25 19 f 59.89632 15.20391 60.61659       32.89277 81.85067      43.95703 33.59761       49.58453 68.00002 21.46670 51.79262 21.53639 16.20739       30.40781 
1 1 1 -11 25 20 o 38.53961 12.60618 -26.71474      32.64911 20.73414      46.50437 -72.83415      45.84824 46.12505 20.06077 30.95417 15.27182 15.17088       25.21236 
1 1 1 -11 25 21 o 38.83814 12.72756 -6.350466      32.28170 18.07177      45.74519 -30.57729      45.56181 43.04013 19.24843 34.63616 16.65716 8.403973       25.45512 
1 1 1 -11 27 1  o 249.4367 4.729936 845.9630       31.15848 832.5612      40.17562 866.1909       49.35782 247.2850 6.033668 251.5884 7.285879 -4.303406      9.459872 
1 1 1 -11 27 2  o 31.03724 10.16247 -17.44418      19.45444 -7.162184     23.22244 -41.64394      35.62663 30.69936 13.72296 31.37511 14.99277 -0.6757545     20.32493 
1 1 1 -11 27 3  o 170.9744 5.560962 394.6079       24.80454 374.8663      31.08566 429.2077       41.15334 165.5522 6.973353 176.3965 8.664268 -10.84422      11.12192 
1 1 1 -11 27 4  o 48.82121 12.68317 30.86673       22.35950 40.25306      28.54072 15.95162       35.97744 52.60450 17.35619 45.03793 18.49902 7.566574       25.36634 
1 1 1 -11 27 5  o 76.01921 11.46139 79.78164       23.08368 53.25232      29.20065 123.9822       37.69149 59.33584 17.24683 92.70258 15.09969 -33.36673      22.92278 
1 1 1 -11 27 6  o 77.00594 11.26266 91.08485       22.66043 108.4645      30.02443 68.08224       34.54165 87.55236 12.73572 66.45953 18.57934 21.09283       22.52533 
1 1 1 -11 27 7  o 68.86398 12.37067 73.03738       23.35644 89.38564      32.76638 56.15016       33.30213 77.04427 16.30303 60.68369 18.61034 16.36058       24.74133 
1 1 1 -11 27 8  o 46.60715 12.38339 16.67356       24.56780 51.23373      33.42218 -23.95178      36.23643 58.31565 18.75140 34.89864 16.17958 23.41700       24.76679 
1 1 1 -11 27 9  o 213.6965 5.720146 625.5248       32.85595 586.6833      44.92062 670.2097       48.18122 206.5960 8.074960 220.7971 8.104031 -14.20105      11.44029 
1 1 1 -11 27 10 o 131.5120 8.456868 244.5214       29.45074 298.2617      42.12824 193.1557       41.18699 146.2893 10.69492 116.7347 13.10317 29.55451       16.91374 
1 1 1 -11 27 11 o 73.15569 14.32939 83.26838       29.56084 100.5729      42.38528 66.87954       41.24857 80.44061 19.72051 65.87075 20.79487 14.56986       28.65877 
1 1 1 -11 27 12 o 146.4745 7.901320 299.7072       30.72620 373.0090      45.30552 237.2762       41.81132 163.4295 10.29526 129.5195 11.98879 33.90997       15.80264 
1 1 1 -11 27 13 o 63.24317 14.60380 64.38522       28.88711 74.12896      40.24769 54.03294       41.48550 67.41766 20.41522 59.06868 20.88787 8.348972       29.20761 
1 1 1 -11 27 14 o 77.51395 13.48374 99.99044       28.42072 119.3136      38.11033 75.77921       42.65917 87.66685 16.75529 67.36105 21.13066 20.30581       26.96747 
1 1 1 -11 27 15 o 55.22939 14.14419 37.43825       28.68877 7.457843      36.92326 83.10932       45.57240 41.43909 17.94871 69.01968 21.86495 -27.58059      28.28837 
1 1 1 -11 27 16 o 47.22960 13.95866 24.97064       29.82852 31.74942      39.83520 16.31859       45.00393 48.72480 19.66839 45.73440 19.81240 2.990402       27.91733 
1 1 1 -11 27 17 o 37.43988 12.37614 -18.92065      30.75631 -32.60097     41.16595 -1.635801      46.27248 33.79205 16.13896 41.08771 18.76724 -7.295658      24.75228 
1 1 1 -11 27 18 o 42.99921 13.41302 17.68387       30.18039 4.194118      39.97937 35.55632       46.01783 38.71430 17.59038 47.28412 20.25377 -8.569817      26.82604 
1 1 1 -11 29 1  o 36.78521 11.28655 4.648057       19.83157 2.637940      24.54445 8.428141       33.65839 33.70598 14.61655 39.86444 17.20178 -6.158463      22.57310 
1 1 1 -11 29 2  o 39.29496 11.64871 10.24194       19.88763 4.632299      24.60175 20.82091       33.78471 34.55778 14.80595 44.03214 17.98759 -9.474361      23.29741 
1 1 1 -11 29 3  o 72.00999 11.28015 83.94758       21.08597 93.03366      26.47018 68.17018       34.88079 79.94627 12.29632 64.07370 18.91474 15.87257       22.56029 
1 1 1 -11 29 4  o 66.25481 12.01334 74.60125       21.75455 86.77874      26.86071 51.38505       37.08807 75.86160 13.65159 56.64803 19.77158 19.21357       24.02667 
1 1 1 -11 29 5  o 140.4592 6.889225 276.3453       25.60345 267.4269      33.05770 289.7152       40.47565 138.1932 8.883882 142.7253 10.53197 -4.532135      13.77845 
1 1 1 -11 29 6  o 104.0266 8.706594 156.6429       24.16317 154.7994      32.04100 159.0738       36.79361 103.8152 11.46204 104.2380 13.10880 -0.4228134     17.41319 
1 1 1 -11 29 7  o 46.21200 12.85706 24.13479       23.65538 11.99859      31.46137 39.91933       35.87996 40.53981 17.02776 51.88420 19.26841 -11.34439      25.71412 
1 1 1 -11 29 8  o 76.95213 12.42473 96.53874       25.20497 106.2263      34.33188 85.21272       37.12180 82.33101 16.06315 71.57327 18.95970 10.75774       24.84945 
1 1 1 -11 29 9  o 98.44218 10.06308 143.8034       26.46425 121.8504      35.61019 170.8849       39.55154 89.78026 14.73025 107.1041 13.71431 -17.32384      20.12616 
1 1 1 -11 29 10 o 41.23005 12.42539 11.55370       24.62320 21.12938      32.82534 -0.7674761     37.23492 43.52235 17.74924 38.93774 17.39327 4.584602       24.85078 
1 1 1 -11 29 11 o 55.95396 13.36355 49.80233       25.51304 24.13482      34.98063 78.97385       37.29196 44.76191 18.29645 67.14601 19.48275 -22.38410      26.72709 
1 1 1 -11 29 12 o 58.83562 14.14914 61.83966       26.80246 53.35369      36.30238 72.00843       39.73915 55.15732 19.53578 62.51393 20.47305 -7.356606      28.29827 
1 1 1 -11 29 13 o 38.45344 12.18747 1.709821       26.77939 17.94280      36.42541 -17.38436      39.50535 41.84156 17.97365 35.06532 16.46469 6.776237       24.37494 
1 1 1 -11 29 14 o 45.51675 13.58917 31.80326       28.77760 38.48670      39.03903 23.84963       42.58743 47.30802 19.33196 43.72548 19.10334 3.582535       27.17834 
1 1 1 -11 29 15 o 35.58630 11.65958 -22.18900      28.87665 24.43622      39.89580 -73.49309      41.84973 43.06479 18.65504 28.10780 13.99187 14.95699       23.31915 
1 1 1 -10 0  1  o 675.1675 10.18690 6147.415       184.9774 6078.666      258.7637 6219.260       264.5266 671.3093 14.32993 679.0256 14.48258 -0.000000      0.000000 
1 1 1 -10 0  2  o 1306.900 19.55622 23070.79       687.4904 23002.87      969.4472 23139.51       975.0939 1304.969 27.61721 1308.832 27.69608 -0.000000      0.000000 
1 1 1 -10 0  3  o 606.9205 9.164104 4967.244       149.5917 4924.328      209.6401 5011.764       213.5225 604.2515 12.89793 609.5895 13.02177 -0.000000      0.000000 
1 1 1 -10 0  4  o 1306.670 19.53544 23053.32       686.5482 23294.17      981.0461 22822.16       961.1121 1313.345 27.76934 1299.994 27.48448 -0.000000      0.000000 
1 1 1 -10 0  5  o 98.35797 4.006726 132.0109       10.48410 137.8866      14.39379 125.3710       15.30129 100.7755 5.338625 95.94041 5.976160 -0.000000      0.000000 
1 1 1 -10 0  6  f 1459.347 21.80703 28763.46       855.8334 29162.93      1227.185 28385.19       1194.154 1469.187 31.05184 1449.508 30.62627 -0.000000      0.000000 
1 1 1 -10 0  7  o 1648.174 24.64379 36724.13       1092.585 36696.00      1544.138 36752.34       1546.160 1647.542 34.84213 1648.805 34.86103 -0.000000      0.000000 
1 1 1 -10 0  8  o 850.1476 12.74910 9749.679       291.4962 9860.688      417.1677 9643.767       407.4787 854.8701 18.14132 845.4250 17.91789 -0.000000      0.000000 
1 1 1 -10 0  9  o 368.3346 5.797002 1819.284       57.21494 1945.865      85.55707 1716.880       76.95336 379.8635 8.373781 356.8057 8.018774 -0.000000      0.000000 
1 1 1 -10 0  10 o 551.9185 8.358350 4093.128       123.7584 4308.565      183.3072 3912.675       167.7654 565.2139 12.05673 538.6231 11.57943 -0.000000      0.000000 
1 1 1 -10 0  11 f 1244.525 18.60852 20813.02       620.4417 22073.24      929.1509 19798.93       833.4962 1278.284 27.02176 1210.766 25.59163 -0.000000      0.000000 
1 1 1 -10 0  12 o 1401.945 20.95945 26553.27       790.2198 26208.00      1102.830 26917.60       1132.854 1392.605 29.43984 1411.285 29.84107 -0.000000      0.000000 
1 1 1 -10 0  13 o 345.4459 5.398663 1609.115       50.15830 1588.836      70.47465 1629.931       71.40358 343.2375 7.633789 347.6543 7.635934 -0.000000      0.000000 
1 1 1 -10 0  14 o 653.3813 9.842561 5760.563       172.9593 5811.559      247.2216 5711.674       242.0628 656.2072 14.00583 650.5554 13.83260 -0.000000      0.000000 
1 1 1 -10 0  15 o 210.9757 4.077225 602.6011       23.03890 574.7529      33.55112 627.4489       31.69215 206.3118 6.051260 215.6397 5.466013 -0.000000      0.000000 
1 1 1 -10 0  16 o 138.2451 4.229174 261.1750       15.44208 244.0741      23.49819 274.1740       20.48698 134.1210 6.542096 142.3693 5.361402 -0.000000      0.000000 
1 1 1 -10 0  17 o 162.0169 4.370908 356.0880       18.57054 351.4092      29.47217 359.1688       23.91537 161.0349 6.824744 162.9990 5.462802 -0.000000      0.000000 
1 1 1 -10 0  18 o 301.0712 5.225547 1214.969       41.81231 1286.761      64.99805 1164.286       54.61191 308.5446 7.834878 293.5978 6.916651 -0.000000      0.000000 
1 1 1 -10 0  19 o 331.8261 5.669458 1481.549       50.22163 1541.913      76.37504 1435.565       66.66025 337.6990 8.410995 325.9532 7.604354 -0.000000      0.000000 
1 1 1 -10 0  20 o 85.68935 11.41004 119.9187       20.59867 81.51173      33.81492 142.5793       25.97407 69.95914 20.64838 101.4196 9.716006 -0.000000      0.000000 
1 1 1 -10 0  21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  22 o 162.5017 7.810223 358.3671       33.99475 0.000000      0.000000 358.3671       33.99475 162.5017 7.810223 162.5017 7.810223 -0.000000      0.000000 
1 1 1 -10 0  23 o 387.9824 9.182212 2033.096       95.80606 0.000000      0.000000 2033.096       95.80606 387.9824 9.182212 387.9824 9.182212 -0.000000      0.000000 
1 1 1 -10 0  24 o 93.92416 14.03660 127.0836       33.16362 0.000000      0.000000 127.0836       33.16362 93.92416 14.03660 93.92416 14.03660 -0.000000      0.000000 
1 1 1 -10 0  25 o 137.7110 10.16105 260.4852       37.20671 0.000000      0.000000 260.4852       37.20671 137.7110 10.16105 137.7110 10.16105 -0.000000      0.000000 
1 1 1 -10 0  26 o 35.45901 21.93564 13.12417       41.43471 0.000000      0.000000 13.12417       41.43471 35.45901 21.93564 35.45901 21.93564 -0.000000      0.000000 
1 1 1 -10 0  27 o 59.83250 28.34698 73.17088       51.84752 0.000000      0.000000 73.17088       51.84752 59.83250 28.34698 59.83250 28.34698 -0.000000      0.000000 
1 1 1 -10 0  28 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  29 o 32.19655 21.64391 -15.40094      53.33423 0.000000      0.000000 -15.40094      53.33423 32.19655 21.64391 32.19655 21.64391 -0.000000      0.000000 
1 1 1 -10 0  30 o 171.5163 11.14602 409.6615       50.97783 0.000000      0.000000 409.6615       50.97783 171.5163 11.14602 171.5163 11.14602 -0.000000      0.000000 
1 1 1 -10 0  31 o 80.24078 24.78551 119.2647       46.86830 0.000000      0.000000 119.2647       46.86830 80.24078 24.78551 80.24078 24.78551 -0.000000      0.000000 
1 1 1 -10 0  32 o 30.44659 20.62939 -5.317261      50.32028 0.000000      0.000000 -5.317261      50.32028 30.44659 20.62939 30.44659 20.62939 -0.000000      0.000000 
1 1 1 -10 2  1  o 1019.357 10.78020 14004.49       295.8918 13970.59      417.4523 14038.73       419.4633 1018.118 15.22738 1020.595 15.26361 -2.476990      21.56040 
1 1 1 -10 2  2  o 946.5145 10.00944 12074.19       255.1044 12052.34      360.0761 12096.21       361.4723 945.6558 14.14093 947.3733 14.17002 -1.717468      20.01887 
1 1 1 -10 2  3  o 832.8185 8.811810 9345.106       197.6054 9342.058      279.3481 9348.160       279.5645 832.6827 12.45899 832.9543 12.46457 -0.2716064     17.62362 
1 1 1 -10 2  4  o 952.6378 10.06256 12226.64       258.0678 12087.42      360.6740 12372.68       369.4086 947.0881 14.14299 958.1874 14.31770 -11.09924      20.12512 
1 1 1 -10 2  5  o 544.7226 5.801881 3995.958       85.09727 3977.223      119.8090 4015.033       120.8898 543.4344 8.187639 546.0107 8.222522 -2.576294      11.60376 
1 1 1 -10 2  6  o 913.6757 9.648970 11248.71       237.3832 11213.57      334.6183 11284.31       336.8136 912.2405 13.62250 915.1109 13.66887 -2.870361      19.29794 
1 1 1 -10 2  7  o 638.9461 9.605091 5498.950       165.2529 0.000000      0.000000 5498.950       165.2529 ?        ?        638.9461 9.605091 ?              ?        
1 1 1 -10 2  8  o 939.7755 9.933755 11902.17       251.3668 11974.38      357.1886 11831.31       353.8081 942.5978 14.07303 936.9532 14.02382 5.644592       19.86751 
1 1 1 -10 2  9  o 427.1400 6.600699 2456.865       75.91780 0.000000      0.000000 2456.865       75.91780 ?        ?        427.1400 6.600699 ?              ?        
1 1 1 -10 2  10 o 1817.235 19.21479 44659.32       940.2181 44736.81      1331.835 44582.33       1327.514 1818.800 27.19456 1815.670 27.15306 3.130493       38.42958 
1 1 1 -10 2  11 o 797.1165 8.434011 8558.132       180.9862 8443.116      252.7793 8679.110       259.2495 791.6263 11.85872 802.6067 11.99587 -10.98041      16.86802 
1 1 1 -10 2  12 o 871.4006 9.211087 10226.13       215.9973 10438.89      312.0623 10030.46       299.2716 880.0854 13.16840 862.7158 12.88292 17.36957       18.42217 
1 1 1 -10 2  13 f 436.8014 4.718448 2569.657       55.49610 2557.999      78.50813 2581.302       78.45858 435.8107 6.690111 437.7921 6.655629 -1.981415      9.436895 
1 1 1 -10 2  14 o 214.5331 2.799852 620.0757       16.14703 614.0406      23.46007 625.5083       22.25802 213.5394 4.080072 215.5267 3.835324 -1.987305      5.599705 
1 1 1 -10 2  15 f 433.5334 4.728118 2531.534       55.17453 2476.043      76.78078 2590.785       79.33925 428.6263 6.652583 438.4406 6.720382 -9.814331      9.456236 
1 1 1 -10 2  16 o 328.6555 3.782756 1453.680       33.41108 1486.018      49.01696 1425.617       45.66203 332.0567 5.482148 325.2543 5.213733 6.802399       7.565511 
1 1 1 -10 2  17 o 247.1289 3.244264 823.4559       21.57816 808.3888      30.81444 837.9533       30.22631 244.9050 4.672758 249.3528 4.501813 -4.447876      6.488527 
1 1 1 -10 2  18 o 36.60083 8.903711 15.41161       11.73737 -2.026175     19.03279 26.11331       14.91019 29.94134 12.92759 43.26033 12.24670 -13.31899      17.80742 
1 1 1 -10 2  19 o 348.4948 4.964529 1659.634       44.67601 1571.422      73.53275 1711.250       56.24796 340.8922 8.010882 356.0973 5.866171 -15.20511      9.929058 
1 1 1 -10 2  20 o 237.7727 4.283567 758.3141       26.21043 776.9217      44.37923 748.3469       32.48032 239.9377 6.869069 235.6077 5.119736 4.330078       8.567135 
1 1 1 -10 2  21 o 465.3179 6.266135 2904.348       72.71079 2978.862      131.0610 2871.216       87.39349 469.3152 10.37111 461.3206 7.035465 7.994598       12.53227 
1 1 1 -10 2  22 o 53.42145 10.97234 39.74939       16.76092 34.66948      25.25071 43.75056       22.40983 51.04703 16.28659 55.79587 14.70768 -4.748844      21.94468 
1 1 1 -10 2  23 o 241.8081 5.149693 789.1047       33.48587 796.5978      46.30618 780.8914       48.48097 243.0248 7.076280 240.5913 7.483556 2.433472       10.29939 
1 1 1 -10 2  24 o 303.1033 5.705752 1242.495       46.49278 1252.550      64.10305 1231.336       67.53233 304.4349 7.819894 301.7716 8.310937 2.663300       11.41150 
1 1 1 -10 2  25 o 110.8342 9.142206 168.0645       26.48178 169.5552      33.72071 165.6658       42.77591 111.6591 11.21552 110.0094 14.44063 1.649727       18.28441 
1 1 1 -10 2  26 o 40.43841 12.89732 -23.82761      29.38833 -37.21822     38.14659 -4.275030      46.09540 34.68840 16.25291 46.18842 20.03014 -11.50002      25.79465 
1 1 1 -10 2  27 o 44.07508 14.30778 -47.49498      38.43016 -76.58539     49.59958 -3.799735      60.78832 35.33221 17.08754 52.81794 22.95358 -17.48573      28.61557 
1 1 1 -10 2  28 o 430.8070 8.393720 2510.117       97.09330 2786.449      142.4864 2270.580       132.6608 452.8995 11.68391 408.7144 12.05423 44.18512       16.78744 
1 1 1 -10 2  29 o 56.40079 15.92258 34.73764       37.42160 52.41161      46.52345 2.344415       62.98422 60.68095 22.03906 52.12062 22.98681 8.560337       31.84515 
1 1 1 -10 2  30 o 155.0013 9.348218 337.3152       38.44061 302.6689      49.46705 390.1323       61.07665 145.6059 12.61693 164.3966 13.79746 -18.79070      18.69644 
1 1 1 -10 2  31 o 114.9442 11.59185 202.7132       35.64394 174.4840      48.30854 236.4453       52.80767 105.6930 16.97440 124.1954 15.79094 -18.50241      23.18370 
1 1 1 -10 2  32 f 53.38660 15.71697 54.51535       37.33168 68.91268      55.55238 42.65954       50.41121 56.74472 23.11001 50.02848 21.30775 6.716244       31.43394 
1 1 1 -10 4  1  o 1168.273 12.35414 18406.58       388.5922 18251.42      544.8004 18567.26       554.4308 1163.271 17.39294 1173.274 17.54948 -10.00293      24.70827 
1 1 1 -10 4  2  o 1109.513 11.72665 16590.29       350.2591 16382.29      489.0436 16809.35       501.8884 1102.385 16.47521 1116.642 16.69205 -14.25708      23.45330 
1 1 1 -10 4  3  o 581.8304 6.212572 4559.317       97.32991 4547.900      137.2566 4570.863       138.0373 581.0982 8.772035 582.5627 8.799749 -1.464478      12.42514 
1 1 1 -10 4  4  o 660.0935 7.012984 5867.833       124.6264 5799.411      174.2195 5939.537       178.3497 656.1555 9.860672 664.0314 9.974713 -7.875916      14.02597 
1 1 1 -10 4  5  o 883.5067 9.342801 10514.97       222.1991 10669.06      318.9294 10369.64       309.7457 889.7880 13.31143 877.2255 13.11326 12.56250       18.68560 
1 1 1 -10 4  6  o 855.3287 9.050947 9855.757       208.4204 9970.511      298.0130 9745.893       291.5938 860.1973 12.86630 850.4601 12.73330 9.737183       18.10189 
1 1 1 -10 4  7  f 170.3740 2.492976 385.9443       11.28529 362.8384      14.63316 419.8576       17.72808 164.1605 3.310442 176.5876 3.728363 -12.42703      4.985952 
1 1 1 -10 4  8  o 1439.889 15.18446 27954.96       588.4040 28533.72      849.1756 27420.44       816.0693 1454.183 21.68677 1425.595 21.25923 28.58875       30.36892 
1 1 1 -10 4  9  o 1494.490 15.77397 30160.51       634.7475 30321.00      902.4182 30003.35       892.9931 1498.413 22.36623 1490.568 22.24913 7.845825       31.54793 
1 1 1 -10 4  10 o 767.2340 8.137565 7906.018       167.7078 8271.563      247.7952 7597.052       227.8122 783.5363 11.74493 750.9318 11.26661 32.60449       16.27513 
1 1 1 -10 4  11 f 947.6382 10.01751 12102.70       255.5981 12182.45      363.9570 12025.10       359.0338 950.7143 14.21728 944.5620 14.11632 6.152283       20.03501 
1 1 1 -10 4  12 o 1022.377 10.80840 14095.31       297.5462 14062.12      420.2099 14128.69       421.3803 1021.170 15.28217 1023.584 15.28859 -2.413696      21.61679 
1 1 1 -10 4  13 o 605.5562 6.478055 4940.506       105.6152 4966.769      150.7444 4915.185       148.0177 607.1335 9.220909 603.9788 9.101406 3.154724       12.95611 
1 1 1 -10 4  14 o 441.9612 4.837704 2628.201       57.47329 2690.981      84.16129 2573.339       78.67483 446.8924 6.994007 437.0300 6.685611 9.862335       9.675408 
1 1 1 -10 4  15 o 636.8920 8.305534 5532.791       136.0556 5316.193      226.8251 5654.516       170.0417 626.6554 13.44247 647.1285 9.758466 -20.47308      16.61107 
1 1 1 -10 4  16 o 156.1238 3.653527 317.3015       14.05544 356.3518      26.42059 301.8874       16.59925 162.5606 6.035925 149.6870 4.118330 12.87366       7.307053 
1 1 1 -10 4  17 o 231.6332 3.752837 721.1724       22.18097 730.5948      38.13903 716.3564       27.26650 232.7178 6.086347 230.5487 4.392211 2.169022       7.505674 
1 1 1 -10 4  18 o 121.9022 4.296732 197.7090       13.61891 211.1698      22.72394 190.1641       17.01280 125.0620 6.747996 118.7424 5.320920 6.319649       8.593465 
1 1 1 -10 4  19 o 96.89772 6.050350 131.9874       14.91512 109.7246      24.33486 145.3827       18.87628 90.01614 10.03980 103.7793 6.754951 -13.76315      12.10070 
1 1 1 -10 4  20 o 322.1747 4.754578 1392.458       39.34491 1426.233      66.88847 1374.589       48.65184 325.0501 7.642185 319.2994 5.658715 5.750763       9.509156 
1 1 1 -10 4  21 o 283.6850 4.449109 1087.859       33.02965 1074.353      53.24628 1096.306       42.11085 282.1935 7.007432 285.1765 5.483994 -2.982971      8.898218 
1 1 1 -10 4  22 o 223.0081 4.344464 666.7596       25.81338 694.9827      39.83459 646.3288       33.89236 227.0362 6.516013 218.9801 5.747959 8.056046       8.688928 
1 1 1 -10 4  23 o 154.0127 5.242061 319.4502       21.68725 351.8001      31.32770 289.6795       30.05282 161.4960 7.204158 146.5293 7.616884 14.96672       10.48412 
1 1 1 -10 4  24 o 72.87751 10.51557 75.05078       19.93626 76.40279      28.30153 73.71910       28.08795 73.55380 14.80215 72.20122 14.94005 1.352585       21.03114 
1 1 1 -10 4  25 o 260.6372 5.708805 916.7817       39.67130 900.1981      52.33641 939.1790       60.82244 257.9663 7.534553 263.3080 8.578598 -5.341705      11.41761 
1 1 1 -10 4  26 o 40.61781 13.19904 -29.47211      31.69110 -30.47299     39.72916 -27.72111      52.54853 36.85151 17.03423 44.38411 20.16664 -7.532593      26.39807 
1 1 1 -10 4  27 o 178.8148 8.984863 450.0636       42.87650 470.6722      57.84594 424.9357       63.87433 183.9125 11.68095 173.7171 13.65527 10.19533       17.96973 
1 1 1 -10 4  28 o 38.25754 13.35423 -132.5390      47.86362 -139.4670     62.10778 -122.4069      75.10922 34.77060 17.26458 41.74448 20.37831 -6.973877      26.70845 
1 1 1 -10 4  29 o 56.43756 15.38443 38.70778       35.52209 62.86214      43.07564 -12.62934      62.79855 63.89457 21.33358 48.98055 22.17207 14.91401       30.76885 
1 1 1 -10 4  30 o 176.4028 8.159772 428.2627       36.68921 400.2580      44.57903 487.0550       64.59142 169.0567 9.792976 183.7489 13.05470 -14.69211      16.31954 
1 1 1 -10 4  31 o 33.16693 11.52038 -70.99330      34.45913 -63.64970     43.67465 -83.10372      56.08601 31.52359 15.42087 34.81028 17.11938 -3.286686      23.04075 
1 1 1 -10 4  32 o 40.61611 13.40955 -14.08253      38.00758 32.76423      53.02639 -63.57981      54.50582 47.27685 20.95868 33.95537 16.73313 13.32148       26.81910 
1 1 1 -10 6  1  o 704.3142 7.506379 6682.239       142.3542 6661.361      200.5210 6703.453       202.1271 703.2061 10.58995 705.4223 10.64123 -2.216248      15.01276 
1 1 1 -10 6  2  o 515.4847 5.555084 3574.550       77.03101 3489.341      106.1618 3669.294       111.9447 509.0070 7.745707 521.9624 7.964914 -12.95544      11.11017 
1 1 1 -10 6  3  o 444.0398 4.827646 2655.223       57.71832 2643.378      81.10275 2667.379       82.15956 443.0370 6.798487 445.0426 6.856037 -2.005615      9.655293 
1 1 1 -10 6  4  o 343.8353 4.778942 1591.577       41.20910 1593.621      73.10032 1590.624       49.89256 343.9796 7.892293 343.6911 5.391183 0.2884827      9.557883 
1 1 1 -10 6  5  o 446.5585 4.824234 2685.474       58.00766 2699.691      82.26088 2671.412       81.81139 447.7340 6.823227 445.3829 6.821767 2.351166       9.648468 
1 1 1 -10 6  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  7  o 207.3021 2.589669 578.4437       14.45249 562.5826      20.25533 594.8932       20.62758 204.4081 3.680085 210.1962 3.644519 -5.788055      5.179338 
1 1 1 -10 6  8  o 140.9771 3.242331 267.5933       12.30805 0.000000      0.000000 267.5933       12.30805 ?        ?        140.9771 3.242331 ?              ?        
1 1 1 -10 6  9  o 470.4504 5.073909 2978.398       64.23008 3034.854      92.90325 2926.705       88.89910 474.7165 7.267972 466.1844 7.082006 8.532043       10.14782 
1 1 1 -10 6  10 o 130.8914 3.744513 230.6813       13.19744 0.000000      0.000000 230.6813       13.19744 ?        ?        130.8914 3.744513 ?              ?        
1 1 1 -10 6  11 o 502.7422 7.728592 3404.358       104.6235 3404.358      104.6235 0.000000       0.000000 502.7422 7.728592 ?        ?        ?              ?        
1 1 1 -10 6  12 o 120.4551 4.442280 188.5361       12.55044 209.4875      25.50870 181.8447       14.41599 124.7042 7.596683 116.2061 4.607147 8.498062       8.884560 
1 1 1 -10 6  13 o 435.9916 5.961510 2553.573       65.11084 2585.295      116.0494 2538.999       78.65775 437.8729 9.842633 434.1104 6.729115 3.762512       11.92302 
1 1 1 -10 6  14 o 358.1069 5.140749 1686.506       44.51801 1826.128      85.70737 1634.918       52.09711 367.8935 8.651924 348.3203 5.554583 19.57315       10.28150 
1 1 1 -10 6  15 o 220.7578 4.113525 627.5559       20.59875 712.1277      44.18615 604.0729       23.28360 229.7625 7.142060 211.7530 4.083542 18.00954       8.227050 
1 1 1 -10 6  16 o 100.1512 6.073584 154.5170       13.03516 103.9597      26.16191 171.2128       15.03420 87.60250 11.09097 112.6999 4.954199 -25.09740      12.14717 
1 1 1 -10 6  17 o 118.6089 4.591620 179.6354       13.54131 216.8681      25.39026 164.8353       16.00799 126.6777 7.443606 110.5400 5.378162 16.13773       9.183241 
1 1 1 -10 6  18 o 125.7214 4.603106 210.7527       14.74527 221.5973      25.64911 205.3994       18.02083 128.0511 7.438844 123.3916 5.423829 4.659569       9.206211 
1 1 1 -10 6  19 o 341.5143 4.759733 1586.218       41.08556 1537.799      71.19232 1610.397       50.30872 337.4356 7.835358 345.5929 5.406238 -8.157227      9.519466 
1 1 1 -10 6  20 o 262.8423 6.733060 931.9047       47.65310 931.9047      47.65310 0.000000       0.000000 262.8423 6.733060 ?        ?        ?              ?        
1 1 1 -10 6  21 o 525.5246 7.385869 3697.659       101.0956 3871.952      167.2480 3597.311       126.9038 534.9399 11.61107 516.1093 9.131658 18.83069       14.77174 
1 1 1 -10 6  22 o 31.95247 10.18806 -15.66423      18.90257 -4.541632     25.88080 -28.38126      27.67371 34.39711 14.96275 29.50783 13.83122 4.889280       20.37612 
1 1 1 -10 6  23 o 68.23455 11.04914 69.59996       19.90266 83.42175      24.84253 44.83005       33.25645 78.46516 11.75805 58.00394 18.71048 20.46123       22.09828 
1 1 1 -10 6  24 o 212.3381 5.402021 603.2800       30.37393 576.6898      39.15376 643.4665       48.13407 206.5912 7.038468 218.0849 8.196786 -11.49368      10.80404 
1 1 1 -10 6  25 o 143.8775 7.349211 280.3852       27.24607 278.3624      33.87664 284.0904       45.84876 143.3294 8.777721 144.4256 11.78962 -1.096283      14.69842 
1 1 1 -10 6  26 f 344.5856 6.675035 1615.458       61.84240 1652.987      85.78828 1574.857       89.22993 348.8596 9.132588 340.3116 9.737566 8.548004       13.35007 
1 1 1 -10 6  27 o 124.4022 21.07887 328.3634       60.60180 364.2675      63.29737 -66.45361      209.8997 162.5818 14.45874 86.22260 39.60076 76.35921       42.15774 
1 1 1 -10 6  28 o 66.37677 22.01080 18.00858       51.61330 22.22762      52.92636 -63.87015      233.1584 53.55941 22.25894 79.19412 37.97947 -25.63471      44.02159 
1 1 1 -10 6  29 o 129.9318 23.53212 183.0226       43.44814 164.5375      44.58088 532.9727       193.9730 106.7346 15.51172 153.1289 44.43455 -46.39430      47.06424 
1 1 1 -10 6  30 o 50.86917 17.05430 -4.785344      42.94203 4.877677      45.04211 -101.2214      142.2924 44.53207 19.54588 57.20626 27.95273 -12.67419      34.10860 
1 1 1 -10 6  31 o 63.29905 16.93188 78.22823       36.16196 84.11313      37.72474 11.58133       126.9541 69.03133 19.45835 57.56676 27.71510 11.46456       33.86376 
1 1 1 -10 6  32 o 44.71558 15.21644 -13.64894      47.23007 -47.25783     56.48706 64.43672       86.10085 35.96626 17.58217 53.46490 24.84005 -17.49863      30.43289 
1 1 1 -10 8  1  o 337.1439 4.813644 1525.934       40.26699 1518.245      48.26838 1543.534       73.02489 335.7743 5.338655 338.5136 8.011456 -2.739288      9.627288 
1 1 1 -10 8  2  o 683.1378 8.975910 6266.359       154.7001 6223.380      188.0270 6356.413       272.1697 679.6505 10.27427 686.6252 14.72098 -6.974731      17.95182 
1 1 1 -10 8  3  o 467.6502 5.064741 2945.053       63.77166 2965.211      90.86811 2925.489       89.52049 469.2264 7.191934 466.0741 7.133195 3.152313       10.12948 
1 1 1 -10 8  4  o 337.9937 3.813866 1535.062       34.65173 1485.779      47.37801 1591.747       50.81189 332.1740 5.296974 343.8135 5.488568 -11.63956      7.627733 
1 1 1 -10 8  5  f 215.3626 2.772592 624.1960       16.05154 629.6054      23.43141 619.4127       22.03362 216.2409 4.024179 214.4844 3.815108 1.756500       5.545184 
1 1 1 -10 8  6  o 232.6275 2.887506 729.0433       18.04097 722.9319      26.41677 734.3849       24.69749 231.7126 4.233961 233.5425 3.927385 -1.829926      5.775013 
1 1 1 -10 8  7  o 191.2638 2.635568 493.4532       13.51001 482.7077      19.97994 502.5049       18.33762 189.3411 3.918916 193.1865 3.525191 -3.845428      5.271136 
1 1 1 -10 8  8  o 135.9995 3.699974 226.2278       10.68050 287.3756      25.72403 213.4911       11.74026 146.0787 6.539865 125.9204 3.462569 20.15832       7.399947 
1 1 1 -10 8  9  o 370.0174 4.896710 1845.246       43.87075 1841.097      82.67209 1846.873       51.75970 369.6979 8.304789 370.3369 5.190526 -0.6390381     9.793420 
1 1 1 -10 8  10 o 162.4792 3.575547 359.3889       14.12938 346.4308      26.19873 364.7039       16.77866 160.3830 6.066505 164.5754 3.786248 -4.192444      7.151095 
1 1 1 -10 8  11 o 134.8739 4.008295 243.6669       13.63243 248.8325      24.04814 241.2208       16.54824 135.9119 6.571136 133.8358 4.591937 2.076080       8.016590 
1 1 1 -10 8  12 o 23.71012 7.898158 -17.29733      11.92070 -20.22366     21.51596 -16.00121      14.31933 26.52484 12.35475 20.89541 9.842954 5.629435       15.79632 
1 1 1 -10 8  13 o 190.4371 4.274845 470.9417       19.30969 526.7084      38.62374 452.3584       22.29607 197.6311 7.257976 183.2431 4.518738 14.38800       8.549690 
1 1 1 -10 8  14 o 88.15602 8.285888 101.1013       18.39567 116.8098      33.38902 94.25483       22.04293 92.80580 13.36119 83.50623 9.803181 9.299568       16.57178 
1 1 1 -10 8  15 o 91.73328 8.746549 130.9427       16.35836 91.47855      33.77262 143.0395       18.69817 80.51073 16.14054 102.9558 6.744733 -22.44509      17.49310 
1 1 1 -10 8  16 o 71.67329 9.671161 65.12751       15.90553 84.78320      33.15154 59.24998       18.12829 77.23928 16.44411 66.10731 10.18413 11.13197       19.34232 
1 1 1 -10 8  17 o 57.50651 10.70275 47.23807       14.57138 41.02542      32.70481 48.77678       16.27613 55.92178 18.58543 59.09125 10.61965 -3.169472      21.40549 
1 1 1 -10 8  18 o 139.5944 4.821514 247.6460       16.77556 303.6255      31.39564 225.2770       19.84622 149.9416 7.776134 129.2472 5.702607 20.69446       9.643027 
1 1 1 -10 8  19 o 180.8359 4.478798 426.2256       20.92464 492.7058      35.97136 392.2252       25.72485 191.1023 6.990489 170.5695 5.601035 20.53285       8.957597 
1 1 1 -10 8  20 o 234.9358 4.606788 745.6804       28.98608 731.3187      43.06593 757.5748       39.19234 232.8416 6.868944 237.0300 6.140651 -4.188477      9.213576 
1 1 1 -10 8  21 o 235.8189 4.607933 744.0345       28.88231 784.5568      45.08139 715.8215       37.61618 241.2004 6.941220 230.4374 6.062313 10.76303       9.215865 
1 1 1 -10 8  22 o 185.5453 4.813743 463.7953       23.99910 507.3164      34.53703 423.1593       33.37262 193.9622 6.612786 177.1285 6.997108 16.83377       9.627485 
1 1 1 -10 8  23 o 187.7646 5.101049 477.6974       25.70845 509.9941      35.86774 443.5754       36.86734 194.3414 6.854176 181.1877 7.556658 13.15369       10.20210 
1 1 1 -10 8  24 f 160.0869 5.905299 346.8640       25.32068 345.3787      34.06805 348.6972       37.84705 159.7506 7.919930 160.4232 8.761561 -0.6725922     11.81060 
1 1 1 -10 8  25 o 246.1963 7.959711 820.9521       52.76698 820.9521      52.76698 0.000000       0.000000 246.1963 7.959711 ?        ?        ?              ?        
1 1 1 -10 8  26 o 119.9515 11.28475 195.9287       35.99961 160.3938      47.40989 244.3168       55.32365 107.2669 16.41421 132.6361 15.49051 -25.36922      22.56950 
1 1 1 -10 8  27 o 351.7494 13.11385 1686.648       124.2073 0.000000      0.000000 1686.648       124.2073 ?        ?        351.7494 13.11385 ?              ?        
1 1 1 -10 8  28 o 43.92576 14.50420 -74.68034      38.42806 -117.1405     45.74345 27.14983       70.83960 28.38987 14.20836 59.46164 25.29051 -31.07177      29.00840 
1 1 1 -10 8  29 o 132.9806 20.87742 258.2266       43.79620 244.9175      45.68524 409.2506       153.8954 130.9345 12.95801 135.0266 39.69328 -4.092133      41.75484 
1 1 1 -10 8  30 o 57.36024 18.95991 -19.63615      45.31006 -43.94514     48.43359 150.8028       128.2471 36.52074 17.45981 78.19975 33.66108 -41.67901      37.91982 
1 1 1 -10 8  31 o 52.91840 17.03853 40.91677       47.23858 37.42969      53.14719 54.03567       103.0857 49.82943 21.55841 56.00738 26.39093 -6.177952      34.07706 
1 1 1 -10 10 1  o 423.6976 9.583936 2420.566       109.3411 0.000000      0.000000 2420.566       109.3411 ?        ?        423.6976 9.583936 ?              ?        
1 1 1 -10 10 2  o 360.5901 8.421603 1752.174       81.76962 0.000000      0.000000 1752.174       81.76962 ?        ?        360.5901 8.421603 ?              ?        
1 1 1 -10 10 3  o 39.46578 10.04898 16.85596       13.66030 22.40856      20.47349 12.40062       18.33937 42.78096 14.70356 36.15061 13.70159 6.630344       20.09797 
1 1 1 -10 10 4  o 428.1017 5.852009 2470.034       62.80562 2466.738      111.4102 2471.570       76.03982 427.8380 9.670797 428.3653 6.592397 -0.5273438     11.70402 
1 1 1 -10 10 5  o 126.8610 5.570214 218.2596       18.84520 204.7334      28.16264 229.2271       25.35950 123.2718 8.484497 130.4502 7.219589 -7.178398      11.14043 
1 1 1 -10 10 6  f 270.8757 4.086112 1001.861       25.38148 962.1115      51.49695 1014.615       29.17073 267.2532 7.156081 274.4983 3.946610 -7.245087      8.172223 
1 1 1 -10 10 7  o 621.7688 7.670619 5297.488       114.0218 5024.471      216.4337 5402.370       134.1470 610.3032 13.17031 633.2344 7.867437 -22.93121      15.34124 
1 1 1 -10 10 8  o 105.4980 4.729074 147.6084       10.78584 153.8483      24.24510 146.0688       12.04319 106.8484 8.426991 104.1477 4.294458 2.700714       9.458148 
1 1 1 -10 10 9  o 428.4099 9.523238 2474.743       109.8569 2474.743      109.8569 0.000000       0.000000 428.4099 9.523238 ?        ?        ?              ?        
1 1 1 -10 10 10 o 202.9827 4.039347 553.6862       21.58144 561.9308      34.47898 548.3753       27.67282 204.2063 6.270495 201.7591 5.093741 2.447189       8.078694 
1 1 1 -10 10 11 o 133.3087 4.602423 239.4829       16.33441 240.1755      25.06875 238.9719       21.53298 133.4632 6.975700 133.1542 6.005730 0.3089752      9.204845 
1 1 1 -10 10 12 o 348.1367 4.767344 1639.294       44.31131 1595.451      66.68234 1673.964       59.29707 343.9150 7.200726 352.3584 6.249787 -8.443329      9.534689 
1 1 1 -10 10 13 o 212.6020 4.564718 614.3052       25.67046 584.0738      39.70021 636.0268       33.65194 208.0291 7.087373 217.1748 5.754628 -9.145706      9.129436 
1 1 1 -10 10 14 o 242.3383 4.868361 766.4558       30.18872 876.1718      52.93798 713.5806       36.75007 254.6814 7.719456 229.9952 5.934117 24.68625       9.736722 
1 1 1 -10 10 15 o 291.9689 7.645783 1152.082       60.10935 1152.082      60.10935 0.000000       0.000000 291.9689 7.645783 ?        ?        ?              ?        
1 1 1 -10 10 16 o 48.10240 11.96109 20.86143       16.54968 46.61543      36.04190 13.98051       18.62981 59.23096 19.50225 36.97383 13.85398 22.25713       23.92217 
1 1 1 -10 10 17 o 153.6725 9.986415 319.5684       41.32275 319.5684      41.32275 0.000000       0.000000 153.6725 9.986415 ?        ?        ?              ?        
1 1 1 -10 10 18 o 141.1377 6.517942 288.6295       20.24357 235.2953      41.57618 305.2028       23.17641 131.8169 11.71360 150.4585 5.720660 -18.64160      13.03588 
1 1 1 -10 10 19 o 514.6619 6.550761 3563.350       89.40694 3665.482      139.9709 3492.959       116.2018 520.7192 9.982761 508.6045 8.484948 12.11478       13.10152 
1 1 1 -10 10 20 o 137.7704 5.823077 228.6890       19.76570 327.4497      38.60550 193.6030       23.01039 155.7283 9.206579 119.8125 7.132446 35.91577       11.64615 
1 1 1 -10 10 21 o 426.6130 8.848089 2457.293       101.6406 2457.293      101.6406 0.000000       0.000000 426.6130 8.848089 ?        ?        ?              ?        
1 1 1 -10 10 22 o 138.5639 9.043723 259.8217       33.74277 259.8217      33.74277 0.000000       0.000000 138.5639 9.043723 ?        ?        ?              ?        
1 1 1 -10 10 23 o 276.1351 5.123961 1030.967       37.88742 1030.250      56.62564 1031.549       50.97980 275.9870 7.619755 276.2831 6.852680 -0.2960510     10.24792 
1 1 1 -10 10 24 o 118.5616 8.852852 193.3321       26.96730 124.2788      36.80892 273.3402       39.62124 95.26775 14.34907 141.8555 10.37286 -46.58779      17.70570 
1 1 1 -10 10 25 o 71.05441 14.37099 73.83807       30.85502 102.0689      40.79996 36.12196       47.15865 84.07258 18.52271 58.03624 21.97751 26.03634       28.74199 
1 1 1 -10 10 26 o 386.6024 10.45468 2026.093       108.8326 2026.093      108.8326 0.000000       0.000000 386.6024 10.45468 ?        ?        ?              ?        
1 1 1 -10 10 27 o 133.1925 10.85218 251.8647       38.24432 255.8595      49.98981 246.2267       59.38745 135.1134 13.74041 131.2717 16.80120 3.841660       21.70436 
1 1 1 -10 10 28 o 60.08550 14.90326 32.27899       32.63793 -7.933277     41.06952 101.2050       53.76900 41.07449 18.31318 79.09651 23.51713 -38.02203      29.80651 
1 1 1 -10 10 29 o 162.6861 11.43188 377.6503       50.07852 377.6503      50.07852 0.000000       0.000000 162.6861 11.43188 ?        ?        ?              ?        
1 1 1 -10 10 30 o 129.5199 15.27133 261.9665       53.25948 0.000000      0.000000 261.9665       53.25948 ?        ?        129.5199 15.27133 ?              ?        
1 1 1 -10 10 31 o 58.50906 25.91602 96.80357       80.90955 0.000000      0.000000 96.80357       80.90955 ?        ?        58.50906 25.91602 ?              ?        
1 1 1 -10 12 1  o 136.2684 6.019250 250.1197       22.06136 263.7531      32.11351 237.9350       30.35929 139.7762 8.532396 132.7606 8.492568 7.015656       12.03850 
1 1 1 -10 12 2  o 202.1813 5.130120 540.5800       27.59882 621.9732      43.28788 484.8347       35.82416 214.7445 7.486191 189.6182 7.016371 25.12627       10.26024 
1 1 1 -10 12 3  o 55.78761 8.706282 31.15994       8.564327 61.55692      27.69581 27.94600       9.005716 66.05333 15.78663 45.52189 7.347076 20.53144       17.41256 
1 1 1 -10 12 4  o 128.9736 4.497830 210.4932       9.404702 241.9257      30.62972 207.2214       9.882055 133.9013 8.495222 124.0459 2.958567 9.855423       8.995661 
1 1 1 -10 12 5  o 450.5056 6.202609 2746.416       70.45856 2717.094      123.3039 2760.633       85.85635 448.5293 10.20945 452.4818 7.046735 -3.952454      12.40522 
1 1 1 -10 12 6  o 127.8009 4.665555 218.4886       14.12904 223.7822      27.73262 216.6329       16.41984 128.7983 7.996450 126.8036 4.808991 1.994774       9.331110 
1 1 1 -10 12 7  o 370.8710 4.525076 1858.042       45.09093 1771.280      64.91223 1938.947       62.68260 362.4680 6.650793 379.2740 6.137769 -16.80603      9.050152 
1 1 1 -10 12 8  o 292.4646 4.587935 1152.904       33.75997 1153.864      59.50846 1152.449       40.99563 292.4839 7.556025 292.4454 5.206063 0.3851318E-01  9.175871 
1 1 1 -10 12 9  o 255.3605 4.360016 888.6548       28.14820 851.3803      48.60166 907.4682       34.52866 251.2216 7.184736 259.4994 4.941513 -8.277832      8.720033 
1 1 1 -10 12 10 o 252.4691 4.378765 858.5201       27.98218 863.2388      48.80839 856.2098       34.15207 252.9075 7.167196 252.0307 5.032458 0.8768616      8.757530 
1 1 1 -10 12 11 o 257.0720 4.381899 888.9456       28.88681 899.6526      49.13861 883.2913       35.70858 258.1772 7.068407 255.9667 5.180907 2.210510       8.763799 
1 1 1 -10 12 12 o 388.8604 5.576606 2027.117       54.99863 2090.495      96.12532 1996.272       67.05962 393.1186 9.080940 384.6022 6.475390 8.516418       11.15321 
1 1 1 -10 12 13 o 140.0064 5.433057 271.9563       19.47860 240.6485      31.99841 290.3876       24.55164 133.3399 8.912201 146.6729 6.216520 -13.33296      10.86611 
1 1 1 -10 12 14 o 149.5889 5.571977 301.1443       21.44109 306.9744      36.28383 298.0161       26.57794 150.6100 8.946970 148.5677 6.643752 2.042236       11.14395 
1 1 1 -10 12 15 o 199.8551 5.167524 535.2716       26.41077 552.0994      45.39204 526.6593       32.47337 202.1255 8.340178 197.5848 6.103661 4.540680       10.33505 
1 1 1 -10 12 16 o 97.43842 9.443829 142.5222       21.19126 103.2329      37.17036 161.4416       25.79370 85.57144 16.73143 109.3054 8.763723 -23.73395      18.88766 
1 1 1 -10 12 17 o 95.41311 10.83524 161.4115       20.58582 72.60360      41.19648 190.9666       23.76568 71.86668 20.36082 118.9595 7.419381 -47.09285      21.67049 
1 1 1 -10 12 18 o 67.85429 10.43890 87.75614       19.03686 -2.584384     40.56477 113.2722       21.55829 44.11712 18.95974 91.59146 8.741298 -47.47434      20.87779 
1 1 1 -10 12 19 o 95.63963 9.426833 114.8406       19.69862 139.8310      45.17868 108.9745       21.88884 101.4377 16.54058 89.84160 9.048193 11.59608       18.85367 
1 1 1 -10 12 20 o 494.0729 8.204593 3294.555       109.1520 0.000000      0.000000 3294.555       109.1520 ?        ?        494.0729 8.204593 ?              ?        
1 1 1 -10 12 21 o 114.8557 9.429053 198.1346       22.27120 150.9339      48.94348 210.4602       25.01058 104.8993 17.32762 124.8121 7.441897 -19.91278      18.85811 
1 1 1 -10 12 22 o 110.8748 9.053256 158.5388       22.49670 184.5568      49.26907 151.6854       25.28665 115.9370 15.78225 105.8125 8.875049 10.12450       18.10651 
1 1 1 -10 12 23 o 186.4357 6.004044 482.4125       28.81940 427.3946      46.78487 516.0551       36.58456 177.4764 9.789973 195.3950 6.953459 -17.91866      12.00809 
1 1 1 -10 12 24 o 67.30931 14.79792 63.85520       29.67306 60.51866      41.65783 67.29168       42.27710 65.83665 20.90992 68.78198 20.94490 -2.945335      29.59584 
1 1 1 -10 12 25 o 40.97871 13.44177 -65.95975      38.65852 -4.438473     52.38444 -139.5343      57.28666 48.99566 21.30023 32.96177 16.40197 16.03389       26.88354 
1 1 1 -10 12 26 o 34.99507 11.95308 -62.61443      34.29948 -45.60543     46.23370 -83.43464      51.15191 36.16758 17.22633 33.82257 16.57582 2.345005       23.90616 
1 1 1 -10 12 27 f 63.04822 14.36742 59.33027       30.32527 89.36861      40.99230 23.01868       45.06994 75.47713 19.89010 50.61930 20.73825 24.85782       28.73484 
1 1 1 -10 12 28 o 47.94552 14.30281 16.94879       32.00665 28.95568      43.94203 3.379596       46.71346 50.82938 20.60844 45.06166 19.83869 5.767712       28.60562 
1 1 1 -10 12 29 o 50.14661 14.82059 26.32239       34.49215 51.55963      49.25315 2.033586       48.31881 56.51696 22.17818 43.77628 19.66539 12.74068       29.64118 
1 1 1 -10 12 30 o 46.84016 14.31005 33.06826       32.57867 32.27897      41.87950 34.27794       51.84631 45.98697 19.49790 47.69334 20.95096 -1.706379      28.62011 
1 1 1 -10 14 1  o 378.8542 6.534299 1943.248       66.63596 1935.606      95.37759 1950.535       93.13730 378.0977 9.368259 379.6108 9.111749 -1.513062      13.06860 
1 1 1 -10 14 2  o 324.1310 4.012803 1416.219       34.83660 1425.357      52.09712 1408.827       46.85202 325.0465 5.952301 323.2156 5.383349 1.830841       8.025605 
1 1 1 -10 14 3  o 514.9539 5.708167 3577.057       79.00002 3669.036      115.9107 3497.266       107.9585 521.0840 8.260996 508.8237 7.879634 12.26025       11.41633 
1 1 1 -10 14 4  o 397.7111 4.609139 2134.142       49.33179 2137.809      70.99320 2130.718       68.59973 398.0270 6.624007 397.3951 6.410864 0.6319885      9.218278 
1 1 1 -10 14 5  o 233.3309 3.565238 736.1362       22.23597 714.7028      33.26154 753.4553       29.89931 230.2307 5.365323 236.4311 4.696487 -6.200439      7.130476 
1 1 1 -10 14 6  o 277.7927 3.775781 1030.734       27.71610 1089.850      44.15388 992.2947       35.60457 284.2696 5.768396 271.3157 4.873571 12.95386       7.551562 
1 1 1 -10 14 7  o 421.1901 4.880702 2390.227       55.14756 2442.768      81.97495 2346.789       74.53563 425.3701 7.156996 417.0099 6.637952 8.360199       9.761403 
1 1 1 -10 14 8  o 200.1379 3.870314 541.0579       20.14300 536.9157      33.03404 543.5095       25.41439 199.4819 6.149996 200.7939 4.700520 -1.312027      7.740629 
1 1 1 -10 14 9  o 214.2481 3.876066 608.5142       21.66122 661.3329      35.98055 578.4886       27.12819 221.3696 6.036239 207.1266 4.864089 14.24300       7.752131 
1 1 1 -10 14 10 o 53.10159 9.671132 43.28563       15.24380 11.40489      26.96628 58.25761       18.47977 40.65805 16.26312 65.54514 10.47063 -24.88709      19.34226 
1 1 1 -10 14 11 o 39.75524 10.71460 15.47263       15.52744 8.949447      26.86008 18.74671       19.02929 39.66104 16.10115 39.84944 14.14085 -0.1884003     21.42920 
1 1 1 -10 14 12 f 242.9377 4.155225 798.1021       26.91488 784.0765      40.84259 808.8685       35.78387 241.0059 6.293645 244.8694 5.427118 -3.863586      8.310450 
1 1 1 -10 14 13 o 413.6326 5.048327 2310.368       56.16607 2289.725      81.14573 2329.355       77.82024 411.8309 7.317511 415.4343 6.956757 -3.603455      10.09665 
1 1 1 -10 14 14 o 60.91220 11.09767 49.26015       18.64472 74.52357      29.19956 31.86925       24.22654 72.65083 15.40421 49.17358 15.97946 23.47725       22.19534 
1 1 1 -10 14 15 o 383.4277 5.040428 1982.223       51.78158 1996.971      77.30293 1970.219       69.74007 384.6812 7.462968 382.1742 6.777001 2.506958       10.08086 
1 1 1 -10 14 16 o 314.9941 4.753108 1336.385       40.03308 1354.512      60.47383 1322.245       53.41217 316.8601 7.087883 313.1281 6.334827 3.731964       9.506215 
1 1 1 -10 14 17 o 251.7457 4.998429 867.9683       33.20377 776.7815      50.71944 936.3591       43.92456 239.9448 7.850183 263.5467 6.189654 -23.60190      9.996859 
1 1 1 -10 14 18 o 382.0546 5.203719 1970.522       52.93702 1958.446      81.01159 1979.521       69.93280 380.9767 7.897059 383.1325 6.778733 -2.155884      10.40744 
1 1 1 -10 14 19 o 195.3844 9.686273 515.9774       50.96006 515.9774      50.96006 0.000000       0.000000 195.3844 9.686273 ?        ?        ?              ?        
1 1 1 -10 14 20 o 454.1300 5.852141 2799.753       71.26565 2621.263      103.3610 2961.495       98.39222 440.1693 8.720740 468.0907 7.806338 -27.92133      11.70428 
1 1 1 -10 14 21 o 217.3589 5.592537 627.0499       29.51179 667.8806      56.20940 611.5112       34.67562 221.9184 9.406592 212.7994 6.051604 9.118973       11.18507 
1 1 1 -10 14 22 o 40.83858 12.21350 -1.303258      24.60104 -54.00883     45.79244 20.07988       29.16763 36.45162 17.29883 45.22554 17.24613 -8.773918      24.42701 
1 1 1 -10 14 23 o 88.58345 13.73951 120.7567       30.49263 86.14612      54.51620 136.5146       36.78491 77.42617 23.82224 99.74072 13.69663 -22.31455      27.47902 
1 1 1 -10 14 24 o ?        ?        -256.9174      43.14595 -263.1039     69.59653 -253.0554      54.98778 ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 25 o 36.32362 12.28415 -56.76710      34.63227 -89.45943     49.50389 -25.42945      48.46740 32.34995 15.94293 40.29730 18.69290 -7.947357      24.56831 
1 1 1 -10 14 26 o 41.62579 13.00980 -6.011893      29.24632 9.366163      39.63164 -24.40030      43.33746 44.60940 18.94362 38.64218 17.83700 5.967220       26.01960 
1 1 1 -10 14 27 o 52.42783 14.20312 35.01265       28.90700 51.93517      40.27694 17.03604       41.51240 58.18261 20.58064 46.67304 19.57938 11.50957       28.40624 
1 1 1 -10 14 28 o 45.03889 13.93249 10.87288       32.02743 11.54496      47.42072 10.30919       43.42928 45.83624 20.08834 44.24154 19.31102 1.594704       27.86497 
1 1 1 -10 14 29 o 50.23013 14.92368 34.28542       35.51492 76.22322      53.40635 1.036541       47.55306 59.52984 23.16841 40.93042 18.81727 18.59941       29.84736 
1 1 1 -10 16 1  o 362.3816 4.233668 1766.610       41.24250 1692.653      56.37365 1851.778       60.49569 354.2517 5.909909 370.5114 6.063724 -16.25970      8.467336 
1 1 1 -10 16 2  o 50.89409 6.234087 35.90865       8.277024 30.71975      11.83216 40.88112       11.58279 46.78230 9.710772 55.00588 7.820248 -8.223583      12.46817 
1 1 1 -10 16 3  f 327.0729 3.972634 1441.606       34.96528 1395.946      48.42142 1491.356       50.54357 321.6708 5.590396 332.4751 5.645773 -10.80432      7.945268 
1 1 1 -10 16 4  o 258.9148 3.551134 903.8987       24.72909 908.0615      35.88007 900.1321       34.12996 259.4723 5.135455 258.3572 4.906048 1.115112       7.102267 
1 1 1 -10 16 5  o 303.2555 3.857229 1239.498       31.47925 1185.019      43.82056 1297.590       45.25065 296.3725 5.491066 310.1385 5.418583 -13.76605      7.714458 
1 1 1 -10 16 6  o 316.0262 4.011194 1342.452       33.96811 1397.306      51.00441 1298.730       45.53573 321.7791 5.886627 310.2732 5.450353 11.50586       8.022388 
1 1 1 -10 16 7  o 515.8531 5.750462 3598.364       79.87002 3557.781      113.0952 3638.744       112.8119 512.9360 8.188371 518.7704 8.076002 -5.834412      11.50092 
1 1 1 -10 16 8  o 160.0140 4.402840 342.1418       18.16198 356.9780      30.76019 334.2016       22.50323 162.6024 7.025521 157.4255 5.308678 5.176941       8.805680 
1 1 1 -10 16 9  o 194.5950 4.010437 503.8462       20.46904 540.0851      33.41721 482.0850       25.89550 200.0886 6.202466 189.1013 5.085649 10.98729       8.020873 
1 1 1 -10 16 10 o 207.8847 4.065714 580.1078       22.33093 596.6289      35.38410 569.1721       28.78807 210.3012 6.248602 205.4681 5.203372 4.833160       8.131428 
1 1 1 -10 16 11 o 144.7874 4.923654 276.9038       18.73039 309.3929      30.64725 257.5333       23.66423 151.3970 7.517801 138.1778 6.360199 13.21922       9.847307 
1 1 1 -10 16 12 o 416.9078 4.996464 2346.102       56.04714 2314.104      80.53418 2376.156       78.04945 414.1302 7.222040 419.6854 6.906573 -5.555115      9.992929 
1 1 1 -10 16 13 o 261.0068 4.243062 915.9179       29.62787 941.3777      44.77388 896.0856       39.51704 264.2041 6.293638 257.8095 5.692488 6.394623       8.486124 
1 1 1 -10 16 14 o 216.5536 4.471859 633.4958       26.02785 601.2641      37.26665 664.1912       36.36768 211.1537 6.554480 221.9535 6.085135 -10.79976      8.943717 
1 1 1 -10 16 15 o 283.9852 4.565046 1085.832       34.80035 1105.884      51.47651 1068.953       47.22779 286.3825 6.675430 281.5879 6.228742 4.794617       9.130093 
1 1 1 -10 16 16 o 135.1121 6.755009 247.4198       24.47256 235.1075      35.72755 258.3029       33.59011 131.9109 10.05863 138.3133 9.019117 -6.402390      13.51002 
1 1 1 -10 16 17 o 576.0577 9.558853 4483.188       148.2706 4483.188      148.2706 0.000000       0.000000 576.0577 9.558853 ?        ?        ?              ?        
1 1 1 -10 16 18 o 164.5908 6.369770 372.6733       27.51650 335.8498      42.80671 398.6031       35.92105 157.4399 10.09749 171.7416 7.767660 -14.30162      12.73954 
1 1 1 -10 16 19 o 201.2595 6.097998 581.3185       30.09207 462.6535      51.93050 641.3076       36.92302 184.6002 10.44737 217.9189 6.292438 -33.31870      12.19600 
1 1 1 -10 16 20 o 56.88683 14.01954 38.51572       23.68102 45.94746      47.65215 36.07841       27.28933 61.79509 22.32604 51.97856 16.96284 9.816532       28.03908 
1 1 1 -10 16 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 16 22 o 171.0110 8.906715 397.3436       41.01332 0.000000      0.000000 397.3436       41.01332 ?        ?        171.0110 8.906715 ?              ?        
1 1 1 -10 16 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 16 24 o 44.58638 13.54384 -4.346231      31.14667 -39.89341     46.56556 24.43345       41.89915 38.23074 17.92681 50.94202 20.30694 -12.71127      27.08768 
1 1 1 -10 16 25 f 43.26185 13.27150 -1.472993      29.61249 -24.49232     43.19706 18.93537       40.67353 38.61671 17.81923 47.90699 19.67245 -9.290276      26.54299 
1 1 1 -10 16 26 o 77.17046 14.86191 95.00282       31.45840 123.3479      49.91597 76.32658       40.51772 86.05785 21.58013 68.28308 20.44025 17.77477       29.72383 
1 1 1 -10 16 27 o 47.67795 14.47072 19.47549       32.42172 27.38858      52.89894 14.71455       41.03179 50.88562 21.75371 44.47027 19.08883 6.415356       28.94145 
1 1 1 -10 16 28 o 51.92916 14.89487 46.47579       33.05296 69.46185      48.54273 26.60692       45.13138 58.07272 22.22389 45.78560 19.83751 12.28712       29.78974 
1 1 1 -10 18 1  o 284.8113 3.749366 1092.879       28.74669 1068.718      40.11182 1118.392       41.21868 281.5773 5.290435 288.0453 5.314346 -6.467987      7.498732 
1 1 1 -10 18 2  o 360.1261 4.324326 1748.351       41.92704 1711.903      58.75510 1786.167       59.84758 356.3021 6.124121 363.9501 6.106908 -7.647949      8.648652 
1 1 1 -10 18 3  o 490.8428 5.491148 3251.497       72.57014 3216.521      101.8906 3287.506       103.3851 488.1665 7.751449 493.5191 7.779837 -5.352631      10.98230 
1 1 1 -10 18 4  o 96.22240 4.702612 125.6815       12.06620 105.5703      17.05912 145.8166       17.06924 88.45576 7.162212 103.9890 6.095978 -15.53326      9.405224 
1 1 1 -10 18 5  o 462.9379 5.247702 2891.055       65.40346 2834.004      91.49683 2950.665       93.52544 458.2703 7.414826 467.6056 7.427911 -9.335236      10.49540 
1 1 1 -10 18 6  o 99.03239 5.457049 132.5624       14.52987 139.3081      20.39580 125.6111       20.70435 101.6025 7.455093 96.46230 7.971143 5.140190       10.91410 
1 1 1 -10 18 7  o 225.6809 3.825354 687.8231       23.18021 667.3943      33.78504 705.9935       31.86288 222.4969 5.639194 228.8650 5.170378 -6.368073      7.650707 
1 1 1 -10 18 8  o 91.25958 6.438701 109.8514       15.60337 139.1288      24.10261 88.72949       20.47220 101.4886 8.819896 81.03056 9.382798 20.45805       12.87740 
1 1 1 -10 18 9  o 238.2115 3.964397 765.1188       25.25956 763.8453      37.95771 766.1310       33.84057 238.0152 5.922592 238.4077 5.271498 -0.3924561     7.928795 
1 1 1 -10 18 10 o 287.5634 4.089904 1113.435       31.56026 1130.823      46.76578 1098.893       42.76760 289.6082 5.996999 285.5186 5.562847 4.089569       8.179809 
1 1 1 -10 18 11 o 251.1818 4.101665 850.1597       27.67138 854.6596      40.65461 846.2756       37.77081 251.7904 5.996352 250.5732 5.598070 1.217270       8.203330 
1 1 1 -10 18 12 f 515.9327 5.883703 3591.582       81.72775 3510.969      114.7864 3674.464       116.3913 510.0569 8.357729 521.8086 8.283732 -11.75174      11.76741 
1 1 1 -10 18 13 o 501.3173 5.792917 3391.737       78.18982 3374.088      111.1913 3409.001       109.9730 500.0176 8.258516 502.6169 8.125790 -2.599304      11.58583 
1 1 1 -10 18 14 o 307.4018 4.601631 1272.857       37.97936 1291.254      56.05502 1257.246       51.63827 309.4367 6.727587 305.3669 6.280097 4.069733       9.203262 
1 1 1 -10 18 15 o 272.2141 4.717024 1000.405       34.54526 981.2516      49.60299 1018.444       48.13866 269.6683 6.831161 274.7598 6.506651 -5.091431      9.434049 
1 1 1 -10 18 16 o 37.21081 11.81639 -16.13463      24.71223 -21.30046     35.38419 -11.21570      34.52826 36.27439 16.50754 38.14722 16.91183 -1.872822      23.63279 
1 1 1 -10 18 17 o 285.2126 4.930743 1099.181       37.84628 1103.641      54.48793 1095.024       52.60707 285.7547 7.081471 284.6705 6.863067 1.084167       9.861486 
1 1 1 -10 18 18 o 144.0517 7.191820 278.7372       27.71642 309.6937      42.22784 255.3077       36.73710 150.9739 10.38756 137.1295 9.949251 13.84431       14.38364 
1 1 1 -10 18 19 o 123.8632 10.84479 208.8192       36.16986 0.000000      0.000000 208.8192       36.16986 ?        ?        123.8632 10.84479 ?              ?        
1 1 1 -10 18 20 f 56.62409 14.65568 37.90129       29.89765 -0.8057948    55.52763 53.70393       35.47960 51.27590 22.11020 61.97228 19.24303 -10.69638      29.31136 
1 1 1 -10 18 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 18 22 o 53.99873 14.85201 9.506190       38.11842 -81.06270     60.75346 68.30853       48.95294 39.65366 19.11152 68.34381 22.73937 -28.69015      29.70402 
1 1 1 -10 18 23 o 75.24775 11.61149 92.46503       28.67512 -4.991151     44.48280 161.7582       37.50875 43.45656 19.23396 107.0389 13.01390 -63.58238      23.22298 
1 1 1 -10 18 24 o 111.5148 10.58284 189.8063       28.92911 130.8956      43.53759 236.3779       38.71041 92.91058 18.05315 130.1189 11.04852 -37.20835      21.16568 
1 1 1 -10 18 25 o 48.32206 14.23225 22.55499       29.96676 7.392221      53.29303 29.56594       36.23848 47.99125 21.15617 48.65286 19.04323 -0.6616058     28.46450 
1 1 1 -10 18 26 o 47.90729 14.38949 25.00458       31.13362 18.53715      55.50996 27.97272       37.60521 48.89544 21.57133 46.91914 19.05012 1.976299       28.77897 
1 1 1 -10 18 27 o 42.41830 13.65030 11.24041       34.13402 12.43494      50.25372 10.21727       46.50904 43.05488 19.62386 41.78172 18.97965 1.273163       27.30060 
1 1 1 -10 20 1  o 554.8788 6.157207 4151.669       91.91230 4047.141      126.7716 4267.506       133.4529 547.5434 8.598447 562.2143 8.815413 -14.67090      12.31441 
1 1 1 -10 20 2  o 595.7260 6.559428 4788.505       105.1538 4684.962      145.6287 4901.300       151.9954 589.0214 9.181897 602.4305 9.370012 -13.40918      13.11886 
1 1 1 -10 20 3  o 565.9457 6.265077 4322.050       95.44251 4251.725      132.9247 4396.891       137.1255 561.2067 8.796289 570.6846 8.923568 -9.477905      12.53015 
1 1 1 -10 20 4  o 601.9451 6.628719 4891.458       107.4134 4961.244      154.0261 4825.388       149.8701 606.1111 9.437539 597.7792 9.310881 8.331909       13.25744 
1 1 1 -10 20 5  o 324.1427 4.176445 1415.634       36.44394 1378.198      50.94458 1454.871       52.15579 319.7550 5.916942 328.5305 5.895811 -8.775452      8.352891 
1 1 1 -10 20 6  o 541.5944 6.040397 3957.086       88.04668 4019.823      126.8714 3898.800       122.2886 545.7186 8.633994 537.4701 8.449837 8.248474       12.08079 
1 1 1 -10 20 7  o 434.0704 5.093828 2540.473       59.52605 2476.185      83.38802 2607.272       85.00022 428.4702 7.227693 439.6707 7.179748 -11.20050      10.18766 
1 1 1 -10 20 8  o 60.94479 9.801890 49.25650       17.05338 84.20695      25.50772 21.00895       22.93168 78.88462 12.00870 43.00497 15.49514 35.87965       19.60378 
1 1 1 -10 20 9  o 463.7605 5.395251 2901.898       67.36897 2878.435      95.56049 2925.082       94.99030 461.8899 7.683455 465.6312 7.576242 -3.741272      10.79050 
1 1 1 -10 20 10 o 558.2948 6.268602 4205.822       94.20623 4099.187      131.2595 4319.102       135.2873 551.0045 8.846921 565.5851 8.883327 -14.58057      12.53720 
1 1 1 -10 20 11 o 646.3667 7.150683 5642.870       124.3771 5499.630      172.2264 5799.002       179.8101 637.8244 10.02802 654.9090 10.19647 -17.08459      14.30137 
1 1 1 -10 20 12 f 201.5287 4.934584 540.1266       26.55401 615.5184      40.89827 485.1840       34.91383 213.4907 7.114473 189.5666 6.839939 23.92403       9.869168 
1 1 1 -10 20 13 o 141.1286 6.080664 268.1612       23.03009 301.0467      33.75692 239.5276       31.49910 149.2001 8.402534 133.0571 8.791776 16.14297       12.16133 
1 1 1 -10 20 14 o 139.8084 6.584965 265.2635       24.74780 281.0941      34.84610 249.1526       35.15327 144.0547 8.983451 135.5620 9.630404 8.492752       13.16993 
1 1 1 -10 20 15 o 84.63347 11.47922 102.4729       25.32143 126.6821      35.23009 76.60168       36.41934 96.26151 13.59182 73.00542 18.50277 23.25609       22.95844 
1 1 1 -10 20 16 o 170.2924 6.456863 390.2087       29.48149 424.7508      44.25990 362.6595       39.52670 176.9973 9.286676 163.5874 8.973404 13.40991       12.91373 
1 1 1 -10 20 17 o 45.58099 13.90395 -2.463398      29.88624 7.359855      49.99935 -7.924124      37.27879 50.76390 21.40154 40.39807 17.75539 10.36583       27.80791 
1 1 1 -10 20 18 o 149.5216 9.274926 285.0903       35.83498 387.1351      62.38163 234.8316       43.77907 167.9800 13.79163 131.0633 12.40515 36.91673       18.54985 
1 1 1 -10 20 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 20 20 o 253.9990 13.29321 883.7156       90.91703 883.7156      90.91703 0.000000       0.000000 253.9990 13.29321 ?        ?        ?              ?        
1 1 1 -10 20 21 o 143.4820 10.04716 283.3185       38.81719 0.000000      0.000000 283.3185       38.81719 ?        ?        143.4820 10.04716 ?              ?        
1 1 1 -10 20 22 o 79.37806 14.01165 89.99638       27.78554 123.5278      51.90791 76.53011       32.89509 87.88605 21.98881 70.87006 17.37234 17.01599       28.02331 
1 1 1 -10 20 23 o 39.94994 12.86841 -12.32198      29.80845 -23.26273     49.39170 -6.054175      37.38418 40.98204 18.96093 38.91785 17.40308 2.064182       25.73682 
1 1 1 -10 20 24 o 36.69328 12.55771 -48.91788      34.09364 -55.21437     63.01365 -46.31176      40.53991 40.86682 19.63723 32.51975 15.65770 8.347065       25.11542 
1 1 1 -10 20 25 o 52.34039 15.20100 41.73978       32.91290 56.54573      56.23796 34.02683       40.59024 56.26357 23.12139 48.41719 19.74040 7.846378       30.40201 
1 1 1 -10 20 26 o 42.82355 13.53915 18.85399       32.03525 10.45918      49.41359 24.94057       42.07537 42.01664 19.26679 43.63045 19.02695 -1.613808      27.07829 
1 1 1 -10 22 1  f 183.2237 5.734078 453.0984       28.28972 0.000000      0.000000 453.0984       28.28972 ?        ?        183.2237 5.734078 ?              ?        
1 1 1 -10 22 2  o 312.0614 4.164278 1313.831       34.98557 1341.566      50.02142 1287.271       48.95011 315.2840 5.892108 308.8388 5.886246 6.445190       8.328555 
1 1 1 -10 22 3  o 225.9755 3.807987 685.6872       23.07085 657.2582      30.97138 721.1277       34.58035 220.7510 5.210442 231.2000 5.554670 -10.44899      7.615974 
1 1 1 -10 22 4  o 161.8540 4.148605 352.5557       18.05688 332.8578      24.81726 374.7141       26.32166 157.0625 5.868105 166.6455 5.865923 -9.582962      8.297211 
1 1 1 -10 22 5  f 105.4518 5.474676 150.2242       15.51436 163.4298      22.23339 137.6919       21.65911 109.9787 7.507814 100.9249 7.970009 9.053810       10.94935 
1 1 1 -10 22 6  o 271.2686 5.820314 992.8836       42.51374 992.8836      42.51374 0.000000       0.000000 271.2686 5.820314 ?        ?        ?              ?        
1 1 1 -10 22 7  o 336.7759 4.377370 1530.503       39.67308 1541.361      57.15568 1520.407       55.11251 337.9156 6.281563 335.6361 6.098150 2.279510       8.754740 
1 1 1 -10 22 8  o 137.6091 7.745323 256.0227       28.69922 256.0227      28.69922 0.000000       0.000000 137.6091 7.745323 ?        ?        ?              ?        
1 1 1 -10 22 9  o 253.5463 4.295772 865.5752       29.24685 898.0539      43.29480 838.3133       39.66565 257.8905 6.234721 249.2022 5.911251 8.688324       8.591544 
1 1 1 -10 22 10 o 336.4377 4.575932 1529.659       41.43447 1503.240      59.18531 1555.053       58.02627 333.5668 6.589429 339.3085 6.351064 -5.741760      9.151863 
1 1 1 -10 22 11 o 224.9515 4.630206 683.9180       28.01704 679.8048      40.48888 687.6969       38.80866 224.2829 6.704343 225.6201 6.388037 -1.337265      9.260412 
1 1 1 -10 22 12 o 222.8507 4.841824 669.4161       29.00726 703.8224      42.52481 639.4761       39.66886 228.1817 6.921147 217.5197 6.772794 10.66209       9.683647 
1 1 1 -10 22 13 o 185.1696 5.775915 463.0781       28.75698 498.5729      41.77570 431.1117       39.64494 191.9073 8.084419 178.4318 8.251482 13.47548       11.55183 
1 1 1 -10 22 14 o 58.78917 12.71543 23.58529       29.59755 99.86686      42.58026 -47.72660      41.16986 82.93385 19.41094 34.64449 16.42997 48.28936       25.43085 
1 1 1 -10 22 15 o 136.5707 9.262215 255.2980       33.81745 297.7200      48.91390 216.4537       46.80590 147.5681 12.30995 125.5733 13.84267 21.99477       18.52443 
1 1 1 -10 22 16 o 35.50925 12.04936 -53.13935      33.17623 -64.10767     50.40828 -44.75766      44.06540 35.74161 17.27122 35.27689 16.80635 0.4647255      24.09872 
1 1 1 -10 22 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 22 18 o 136.8879 13.80518 272.9799       50.88508 0.000000      0.000000 272.9799       50.88508 ?        ?        136.8879 13.80518 ?              ?        
1 1 1 -10 22 19 f 89.95154 15.08323 112.6823       34.90119 180.5911      61.42772 80.31027       42.41174 107.7916 21.91065 72.11145 20.73496 35.68018       30.16646 
1 1 1 -10 22 20 o 56.88664 15.65826 37.16755       31.86546 51.59600      59.49675 31.36402       37.73371 62.67989 24.43733 51.09339 19.58421 11.58650       31.31652 
1 1 1 -10 22 21 f 100.1288 13.62047 161.0590       32.24491 147.4269      59.78660 166.6508       38.29141 92.77852 23.81195 107.4792 13.23103 -14.70064      27.24095 
1 1 1 -10 22 22 o 138.4451 10.49119 308.1253       34.43867 224.9030      59.38194 350.3028       42.27415 119.4575 18.46111 157.4326 9.972330 -37.97519      20.98237 
1 1 1 -10 22 23 o 64.51822 15.86075 79.75106       33.86563 67.10355      59.24203 85.89021       41.27445 60.17875 24.09313 68.85768 20.63432 -8.678928      31.72150 
1 1 1 -10 22 24 o 72.60697 14.72017 114.6044       32.49639 79.99286      54.36170 133.8497       40.53640 59.04596 23.25863 86.16798 18.04908 -27.12202      29.44033 
1 1 1 -10 24 1  o 93.02580 7.790794 114.1982       18.35333 107.3585      22.14446 129.2044       32.80044 88.89533 9.251301 97.15628 12.53792 -8.260948      15.58159 
1 1 1 -10 24 2  o 57.69349 9.391596 30.52138       17.08720 -2.648477     20.90274 97.33434       29.66620 31.10354 13.48835 84.28343 13.07183 -53.17989      18.78319 
1 1 1 -10 24 3  o 450.7172 5.413279 2746.342       65.60349 2671.393      89.95238 2831.506       95.88636 444.2041 7.520500 457.2303 7.788225 -13.02618      10.82656 
1 1 1 -10 24 4  o 67.94527 10.30366 68.02187       18.60480 87.26379      24.84451 43.45493       28.07255 80.00578 11.53256 55.88475 17.07811 24.12103       20.60732 
1 1 1 -10 24 5  o 261.8895 4.440544 927.0692       31.30206 939.1930      43.85081 914.4731       44.69691 263.6514 6.176810 260.1275 6.381280 3.523834       8.881087 
1 1 1 -10 24 6  o 362.8522 4.874352 1778.212       47.56413 1735.746      65.34578 1826.063       69.36575 358.2791 6.773493 367.4252 7.011206 -9.146088      9.748703 
1 1 1 -10 24 7  o 233.1386 4.747379 734.7341       29.78726 702.3887      41.69071 768.4650       42.57428 227.8868 6.794177 238.3905 6.632466 -10.50375      9.494759 
1 1 1 -10 24 8  o 166.9464 5.792624 377.4233       26.01167 402.9652      37.42657 353.5582       36.17733 172.4221 8.061277 161.4708 8.320685 10.95123       11.58525 
1 1 1 -10 24 9  o 321.4862 4.898105 1397.756       42.34593 1413.993      61.62531 1383.230       58.28646 323.2175 7.080775 319.7549 6.769663 3.462555       9.796209 
1 1 1 -10 24 10 o 164.8172 6.448588 366.3815       28.42191 432.3048      41.95536 310.4696       38.63850 178.4854 8.729742 151.1489 9.493616 27.33643       12.89718 
1 1 1 -10 24 11 o 147.6517 7.355975 296.3909       29.21973 314.2347      42.14020 279.8672       40.55145 151.9420 10.29995 143.3614 10.50488 8.580658       14.71195 
1 1 1 -10 24 12 o 38.00858 12.22901 -34.40672      29.43770 13.73562      42.72691 -77.90896      40.61567 46.75781 19.75212 29.25933 14.42390 17.49848       24.45803 
1 1 1 -10 24 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 24 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 24 15 o 64.76820 24.35417 72.30521       57.67035 72.30521      57.67035 0.000000       0.000000 64.76820 24.35417 ?        ?        ?              ?        
1 1 1 -10 24 16 o 133.7552 10.00595 243.4695       35.16061 334.2314      55.24628 181.6780       45.58431 154.3333 13.29413 113.1770 14.95801 41.15634       20.01190 
1 1 1 -10 24 17 o 43.57761 13.45924 -1.108778      30.67890 -34.92765     51.30235 17.71742       38.27710 40.63284 18.97662 46.52238 19.09170 -5.889542      26.91849 
1 1 1 -10 24 18 o 120.5260 10.23362 198.9844       31.84049 298.3127      50.65724 134.1140       40.93813 145.0108 12.97351 96.04124 15.83022 48.96960       20.46724 
1 1 1 -10 24 19 o 114.8510 11.63554 200.7928       33.39945 277.1224      48.80582 133.5615       45.80480 138.3793 13.09837 91.32277 19.23475 47.05650       23.27108 
1 1 1 -10 24 20 o 58.52457 15.21925 55.75596       32.00887 67.39220      43.88397 42.52732       46.79045 62.75463 21.52918 54.29452 21.51736 8.460106       30.43851 
1 1 1 -10 24 21 o 50.48840 14.79828 34.37645       32.95771 51.09114      49.52510 21.09044       44.15436 55.02537 22.02920 45.95144 19.76538 9.073933       29.59655 
1 1 1 -10 24 22 o 61.48799 14.51388 79.17234       32.81540 29.45292      50.27626 116.0750       43.31407 46.35825 20.48667 76.61773 20.56470 -30.25948      29.02775 
1 1 1 -10 26 1  o 141.5841 7.352716 294.9471       25.07345 325.0207      30.44245 231.5158       44.21180 154.4239 7.321188 128.7443 12.75343 25.67966       14.70543 
1 1 1 -10 26 2  o 121.9135 8.612777 216.8636       26.23806 260.0875      33.86047 151.9057       41.50944 138.5242 9.077869 105.3029 14.63940 33.22130       17.22555 
1 1 1 -10 26 3  o 140.4250 7.792287 266.8751       29.31829 261.0953      39.36077 274.0783       43.94096 138.7680 10.53394 142.0820 11.48543 -3.313919      15.58457 
1 1 1 -10 26 4  o 177.4275 8.873083 425.8478       42.39150 425.8478      42.39150 0.000000       0.000000 177.4275 8.873083 ?        ?        ?              ?        
1 1 1 -10 26 5  o 299.0183 7.404976 1207.734       59.62177 1207.734      59.62177 0.000000       0.000000 299.0183 7.404976 ?        ?        ?              ?        
1 1 1 -10 26 6  o 178.2606 10.06353 430.4447       48.30468 430.4447      48.30468 0.000000       0.000000 178.2606 10.06353 ?        ?        ?              ?        
1 1 1 -10 26 7  o 151.8169 11.22348 312.8282       45.88083 312.8282      45.88083 0.000000       0.000000 151.8169 11.22348 ?        ?        ?              ?        
1 1 1 -10 26 8  o 38.49097 12.66000 -38.42415      31.77117 -37.22110     44.43788 -39.68214      45.44136 38.42157 17.84902 38.56039 17.95869 -0.1388206     25.31999 
1 1 1 -10 26 9  f 170.8599 9.912770 403.2535       45.60563 403.2535      45.60563 0.000000       0.000000 170.8599 9.912770 ?        ?        ?              ?        
1 1 1 -10 26 10 o 45.57143 13.47867 16.37852       27.68860 15.68644      38.62210 17.11036       39.71601 45.15949 18.91181 45.98338 19.21047 -0.8238907     26.95735 
1 1 1 -10 26 11 o 170.6162 6.880947 402.0901       31.42015 435.2466      43.45416 365.7621       45.48499 178.2560 9.053235 162.9763 10.36478 15.27966       13.76189 
1 1 1 -10 26 12 f 159.6608 8.230333 356.1506       35.31163 387.3542      50.65667 326.6566       49.24942 166.6339 11.28989 152.6877 11.97881 13.94627       16.46067 
1 1 1 -10 26 13 o 55.11069 15.06566 37.95076       31.72746 35.94674      46.96593 39.63303       43.03069 54.99390 21.63263 55.22747 20.97440 -0.2335701     30.13131 
1 1 1 -10 26 14 f 60.97539 14.77567 53.05912       30.61022 28.67206      43.94622 76.04080       42.66115 52.17665 20.79772 69.77412 20.99371 -17.59747      29.55133 
1 1 1 -10 26 15 o 83.94527 13.38113 110.5437       29.47909 104.3981      40.31045 117.6088       43.22104 81.48225 18.76061 86.40828 19.08555 -4.926025      26.76226 
1 1 1 -10 26 16 o 139.1887 8.530950 281.3901       31.35963 304.2283      41.77299 251.8983       47.46959 146.7286 10.57298 131.6489 13.39106 15.07968       17.06190 
1 1 1 -10 26 17 o 90.22411 13.03391 130.1716       30.27703 120.9893      39.58967 143.1086       46.99196 87.09362 17.48902 93.35459 19.33044 -6.260971      26.06783 
1 1 1 -10 26 18 o 82.04620 13.83010 111.2048       30.99962 69.72247      40.28841 171.4054       48.53429 62.58955 20.61969 101.5029 18.43679 -38.91332      27.66021 
1 1 1 -10 26 19 o 54.97318 14.92596 56.33580       30.91959 51.90348      41.77496 61.70554       45.98081 53.40200 20.57192 56.54436 21.63176 -3.142361      29.85192 
1 1 1 -10 26 20 o 43.67139 13.56803 22.85480       31.25196 36.44747      43.08451 7.761666       45.40026 46.75140 19.79665 40.59139 18.55958 6.160007       27.13605 
1 1 1 -10 28 1  o 147.1076 6.146830 302.6334       22.97649 309.3615      28.38041 289.8351       39.14249 150.2091 7.016801 144.0061 10.09448 6.202942       12.29366 
1 1 1 -10 28 2  f 89.28543 10.20551 122.3034       21.80276 135.0847      26.92614 97.96719       37.15471 98.53530 10.14843 80.03557 17.70928 18.49973       20.41101 
1 1 1 -10 28 3  o 41.10695 11.70670 11.29482       21.56606 28.90204      25.95497 -27.96877      38.75879 46.57015 16.51601 35.64375 16.59544 10.92640       23.41340 
1 1 1 -10 28 4  o 116.2650 7.971418 184.1008       23.88484 173.0043      29.39673 205.6560       40.97154 111.7731 9.767383 120.7568 12.60049 -8.983643      15.94284 
1 1 1 -10 28 5  o 144.2194 6.835761 289.0683       26.17511 295.9505      34.53617 279.7792       40.12337 146.5990 8.749026 141.8398 10.50548 4.759171       13.67152 
1 1 1 -10 28 6  o 108.6878 8.623673 165.4406       25.18554 153.8889      34.36657 178.8423       37.01632 104.6044 12.20121 112.7712 12.19022 -8.166794      17.24735 
1 1 1 -10 28 7  o 166.9259 6.076010 381.7171       27.02097 370.6939      35.49844 396.9026       41.66483 164.3129 8.023324 169.5389 9.126767 -5.226028      12.15202 
1 1 1 -10 28 8  o 52.44268 13.70518 36.50582       25.54531 35.53709      34.68803 37.65375       37.76022 51.65569 18.98920 53.22968 19.76708 -1.573990      27.41035 
1 1 1 -10 28 9  o 36.52065 11.77125 -19.63529      26.08945 -38.82243     36.15517 1.209303       37.68443 31.92845 15.21449 41.11284 17.96576 -9.184393      23.54250 
1 1 1 -10 28 10 o 50.79606 13.49039 32.42865       25.35645 18.37472      33.93819 50.18624       38.14887 44.30297 18.05532 57.28915 20.04913 -12.98618      26.98077 
1 1 1 -10 28 11 o 57.67786 14.13412 50.81848       26.92768 40.20667      36.64423 63.27537       39.70230 52.84365 19.50267 62.51206 20.46313 -9.668404      28.26824 
1 1 1 -10 28 12 o 100.6734 9.946939 149.1368       26.94423 143.9044      37.24240 154.8836       39.03024 98.87121 13.98893 102.4755 14.14483 -3.604294      19.89388 
1 1 1 -10 28 13 o 36.34255 11.80308 -27.64285      27.42880 -60.67716     37.16540 11.87364       40.64857 28.79009 14.11347 43.89502 18.92249 -15.10493      23.60616 
1 1 1 -10 28 14 o 50.50673 13.78945 37.75857       27.17700 49.20195      36.74670 23.94209       40.37754 54.58191 19.62036 46.43155 19.38136 8.150364       27.57890 
1 1 1 -10 28 15 o 43.37339 13.27350 15.77199       28.86233 25.87103      38.36080 2.596393       43.81600 45.50964 18.93487 41.23714 18.60682 4.272495       26.54700 
1 1 1 -10 28 16 o 39.37273 12.47375 -0.4115840     28.16693 -27.80389     38.07618 32.69588       41.86027 32.34452 15.46813 46.40095 19.57331 -14.05643      24.94750 
1 1 1 -10 28 17 o 52.19037 14.53277 54.51092       30.11262 46.13243      41.88569 63.47388       43.32198 49.43055 20.09182 54.95019 21.00295 -5.519634      29.06553 
1 1 1 -10 30 1  o 80.85573 10.43484 107.3532       20.40751 114.0361      24.97653 93.93124       35.39639 88.26102 10.50945 73.45042 18.03038 14.81060       20.86967 
1 1 1 -10 30 2  o 69.56395 12.31973 77.31698       22.60494 59.97099      28.32086 107.7666       37.52304 59.60179 16.88031 79.52610 17.94877 -19.92431      24.63947 
1 1 1 -10 30 3  o 45.18787 11.00972 22.18347       22.11694 60.62002      27.64046 -46.22678      36.87514 60.38690 16.52053 29.98883 14.55772 30.39807       22.01943 
1 1 1 -10 30 4  o 108.2072 8.739971 175.6613       24.37692 180.5426      30.78086 167.4493       39.92388 111.8663 10.21876 104.5480 14.18187 7.318214       17.47994 
1 1 1 -10 30 5  o 70.39421 12.56645 85.91589       23.76234 93.98162      30.22099 72.85356       38.45892 76.91536 15.13094 63.87306 20.06783 13.04230       25.13291 
1 1 1 -10 30 6  o 129.0752 7.568198 244.5393       25.84608 261.0494      34.41756 223.1878       39.13985 135.1590 9.456964 122.9913 11.81847 12.16774       15.13640 
1 1 1 -10 30 7  o 41.89005 12.62103 13.50165       24.80214 3.575506      32.39848 27.55414       38.54881 37.39164 16.48886 46.38847 19.11228 -8.996834      25.24206 
1 1 1 -10 30 8  o 58.57235 13.65228 58.19872       25.28073 40.84512      33.20441 82.13168       38.99413 50.00897 18.54318 67.13573 20.04218 -17.12677      27.30455 
1 1 1 -10 30 9  o 36.81518 11.73399 -10.16438      24.63667 -32.29490     31.71052 23.53540       39.13103 29.04143 13.94840 44.58892 18.87294 -15.54749      23.46797 
1 1 1 -10 30 10 o 66.66135 13.27775 83.05000       25.27455 93.58241      33.71053 69.52876       38.19531 73.18282 17.36775 60.13988 20.08871 13.04295       26.55551 
1 1 1 -10 30 11 o 49.17327 13.57959 43.94410       25.99436 45.70529      34.56131 41.65015       39.44379 49.87194 18.83169 48.47461 19.57008 1.397331       27.15917 
1 1 1 -10 30 12 o 95.59204 11.24268 154.6059       27.99901 149.1382      36.95324 161.9760       42.90264 95.60371 14.35471 95.58038 17.30705 0.2332306E-01  22.48537 
1 1 1 -9  1  1  o 1620.510 17.10211 35447.73       746.2307 35602.13      1059.991 35296.02       1050.729 1623.999 24.24004 1617.021 24.13191 6.977905       34.20422 
1 1 1 -9  1  2  o 1110.973 11.72845 16640.01       350.8548 16636.65      496.1151 16643.37       496.2522 1110.861 16.58591 1111.085 16.58715 -0.2241211     23.45690 
1 1 1 -9  1  3  o 384.3960 4.182400 1987.885       43.25999 2037.331      62.60727 1942.706       59.84396 388.9654 5.977649 379.8266 5.851289 9.138733       8.364799 
1 1 1 -9  1  4  f 956.9333 14.28199 12343.76       368.0050 0.000000      0.000000 12343.76       368.0050 ?        ?        956.9333 14.28199 ?              ?        
1 1 1 -9  1  5  o 949.5835 10.02385 12152.96       256.2733 12050.83      359.2353 12258.80       365.7015 945.5269 14.10983 953.6401 14.24160 -8.113159      20.04770 
1 1 1 -9  1  6  o 965.7777 10.19851 12570.34       265.1864 12460.84      371.7811 12683.76       378.3659 961.5014 14.35999 970.0541 14.48547 -8.552673      20.39701 
1 1 1 -9  1  7  o 997.0957 10.52920 13393.76       282.5931 13184.06      393.3795 13617.37       406.2239 989.0437 14.77110 1005.148 15.00901 -16.10406      21.05839 
1 1 1 -9  1  8  o 264.2123 3.070583 937.6602       21.79492 908.5983      29.65504 971.7968       32.14007 259.7716 4.239587 268.6530 4.442953 -8.881409      6.141167 
1 1 1 -9  1  9  o 86.08342 3.969057 99.77644       9.200051 0.000000      0.000000 99.77644       9.200051 ?        ?        86.08342 3.969057 ?              ?        
1 1 1 -9  1  10 o 759.2360 8.035180 7762.763       164.2206 7870.030      235.6940 7661.557       228.9392 764.3281 11.45211 754.1439 11.27412 10.18427       16.07036 
1 1 1 -9  1  11 o 1356.482 14.30927 24834.48       522.6157 24656.07      733.7175 25018.21       744.5826 1351.550 20.16106 1361.414 20.31138 -9.863525      28.61853 
1 1 1 -9  1  12 f 996.6528 10.51388 13388.74       282.1567 13381.45      399.0158 13396.03       399.0439 996.3813 14.87240 996.9244 14.86535 -0.5430298     21.02776 
1 1 1 -9  1  13 o 313.6324 3.511956 1324.565       29.65750 1323.325      42.12871 1325.784       41.75782 313.4866 4.990864 313.7783 4.942328 -0.2916565     7.023911 
1 1 1 -9  1  14 o 347.7540 3.873350 1624.704       36.21402 1559.704      49.56461 1699.142       53.04062 340.3122 5.408923 355.1958 5.545712 -14.88361      7.746701 
1 1 1 -9  1  15 o 40.11790 7.145474 22.58960       8.194399 11.21081      11.71650 33.48487       11.46486 31.17467 11.09234 49.06113 9.010612 -17.88646      14.29095 
1 1 1 -9  1  16 o 97.68242 3.850652 128.5652       10.11494 129.0439      14.69889 128.1347       13.94058 97.85278 5.578636 97.51205 5.309322 0.3407211      7.701304 
1 1 1 -9  1  17 o 97.10289 4.254985 127.1750       11.12453 126.9776      15.82179 127.3680       15.64464 97.02725 6.055899 97.17853 5.978769 -0.1512756     8.509970 
1 1 1 -9  1  18 o 28.83289 8.103710 -6.607436      12.26276 -45.84135     19.78745 17.85606       15.62494 19.95761 9.880584 37.70818 12.84736 -17.75057      16.20742 
1 1 1 -9  1  19 o 176.3821 4.259061 424.5727       19.34803 403.4237      32.06720 436.6790       24.26178 172.8223 6.890933 179.9419 5.007339 -7.119629      8.518122 
1 1 1 -9  1  20 o 196.5939 5.151417 520.6476       27.20064 575.3412      39.37355 470.7137       37.62129 206.4646 7.082322 186.7233 7.482587 19.74126       10.30283 
1 1 1 -9  1  21 o 446.4620 7.144410 2691.833       85.83056 2791.581      124.1774 2600.585       118.7687 454.3629 10.14977 438.5612 10.05746 15.80161       14.28882 
1 1 1 -9  1  22 o 194.7531 5.204122 512.2365       27.19470 519.5786      37.08829 503.6987       39.99413 196.2809 7.017385 193.2252 7.686862 3.055695       10.40824 
1 1 1 -9  1  23 o 476.2668 7.590895 3066.293       97.31772 3051.618      135.8011 3081.785       139.5307 475.1177 10.61497 477.4160 10.85399 -2.298309      15.18179 
1 1 1 -9  1  24 o 253.2719 5.545660 866.6984       37.70942 863.6686      51.35928 870.2422       55.54463 252.8281 7.544149 253.7158 8.130386 -0.8877106     11.09132 
1 1 1 -9  1  25 o 289.8810 5.810627 1127.111       44.83417 1072.318      58.52305 1204.957       69.75603 281.5261 7.720135 298.2359 8.686374 -16.70981      11.62125 
1 1 1 -9  1  26 f 33.78217 11.53521 -72.89915      32.31916 -43.65020     41.55441 -117.6800      51.41718 35.57994 16.76249 31.98440 15.85129 3.595539       23.07042 
1 1 1 -9  1  27 o 92.14261 16.64779 132.4647       41.35151 140.3894      54.72456 121.9180       63.13215 96.07833 21.66949 88.20689 25.27903 7.871445       33.29559 
1 1 1 -9  1  28 o 205.6483 10.07832 579.6539       55.13301 527.0352      71.53230 656.6523       86.53115 194.6522 13.64770 216.6443 14.83344 -21.99211      20.15665 
1 1 1 -9  1  29 o 83.15421 15.95319 113.1739       36.76055 122.5151      49.58226 101.7715       54.78001 87.66778 21.22989 78.64063 23.81824 9.027145       31.90638 
1 1 1 -9  1  30 o 60.19643 15.67970 55.15715       33.40659 48.40464      45.29120 63.21430       49.47345 57.43179 21.58514 62.96107 22.74848 -5.529274      31.35939 
1 1 1 -9  1  31 o 75.65424 15.10228 103.6486       37.02678 163.6476      51.78564 40.89350       52.96170 97.54411 20.37350 53.76438 22.29878 43.77973       30.20455 
1 1 1 -9  1  32 o 73.73499 16.08241 118.7715       36.04968 90.43236      49.24574 151.4921       52.91578 63.17935 22.71313 84.29063 22.77475 -21.11127      32.16481 
1 1 1 -9  3  1  o 664.0811 7.065279 5940.262       126.3369 5956.835      179.1119 5923.852       178.2261 665.0026 10.00271 663.1596 9.980903 1.842957       14.13056 
1 1 1 -9  3  2  o 604.6851 6.438917 4922.588       104.8042 4850.191      145.9506 4999.661       150.5892 600.0987 9.032331 609.2715 9.179085 -9.172852      12.87783 
1 1 1 -9  3  3  o 965.2902 10.19480 12555.59       264.9582 12667.54      377.9271 12447.38       371.5687 969.5174 14.47668 961.0630 14.35833 8.454407       20.38960 
1 1 1 -9  3  4  o 648.2128 6.882137 5654.470       120.0387 5528.413      166.0518 5792.452       173.7289 640.6559 9.625771 655.7697 9.838689 -15.11377      13.76427 
1 1 1 -9  3  5  o 800.1045 8.458888 8624.626       182.2360 8656.054      258.7318 8593.685       256.7212 801.5498 11.98770 798.6592 11.93760 2.890564       16.91778 
1 1 1 -9  3  6  o 662.0006 7.022400 5898.516       125.1043 6026.771      180.6996 5780.446       173.3760 668.9036 10.03252 655.0975 9.828777 13.80609       14.04480 
1 1 1 -9  3  7  o 419.8159 4.519850 2365.335       50.95462 2272.104      69.06683 2476.687       75.48103 410.7704 6.244347 428.8613 6.536384 -18.09094      9.039701 
1 1 1 -9  3  8  f 848.7878 8.964183 9703.519       204.8140 9856.882      294.0897 9559.077       285.4070 855.2927 12.76973 842.2830 12.58413 13.00964       17.92837 
1 1 1 -9  3  9  o 270.2709 4.420197 983.5406       32.16802 983.5406      32.16802 0.000000       0.000000 270.2709 4.420197 ?        ?        ?              ?        
1 1 1 -9  3  10 o 395.7234 4.313103 2108.760       45.95638 2107.073      65.28534 2110.417       64.70284 395.5661 6.129333 395.8806 6.069819 -0.3145752     8.626206 
1 1 1 -9  3  11 o 884.7393 13.21818 10548.25       314.8982 0.000000      0.000000 10548.25       314.8982 ?        ?        884.7393 13.21818 ?              ?        
1 1 1 -9  3  12 o 615.4803 6.547156 5100.009       108.4518 5185.209      156.3138 5020.930       150.5940 620.4308 9.356654 610.5299 9.160460 9.900879       13.09431 
1 1 1 -9  3  13 f 660.2353 7.018980 5872.900       124.7727 5905.819      177.8050 5840.962       175.1358 662.0555 9.973926 658.4150 9.878519 3.640503       14.03796 
1 1 1 -9  3  14 o 577.1074 6.176951 4487.491       95.96758 4528.431      137.3600 4448.452       134.1348 579.6741 8.800211 574.5406 8.670362 5.133484       12.35390 
1 1 1 -9  3  15 o 236.2919 3.630615 747.6588       21.67394 765.3384      38.11446 739.2096       26.34884 238.3170 5.939520 234.2667 4.177030 4.050262       7.261231 
1 1 1 -9  3  16 f 305.9110 4.351832 1258.065       33.74469 1272.553      58.78415 1250.945       41.21114 307.1479 7.107705 304.6741 5.023376 2.473724       8.703665 
1 1 1 -9  3  17 o 257.8156 3.929741 892.9199       25.91544 907.1630      44.36361 885.5419       31.92977 259.3076 6.353724 256.3237 4.626192 2.983856       7.859482 
1 1 1 -9  3  18 o 134.9997 4.092948 242.3908       14.59327 263.4170      23.40038 229.0089       18.66825 139.6991 6.220796 130.3004 5.320769 9.398682       8.185896 
1 1 1 -9  3  19 o 139.7856 4.473494 265.9412       16.51807 251.5948      25.61834 276.1495       21.60998 136.4946 6.970313 143.0766 5.609219 -6.582031      8.946988 
1 1 1 -9  3  20 o 310.7137 4.714233 1288.829       37.61122 1347.195      64.28796 1258.456       46.37622 315.9163 7.557432 305.5110 5.637480 10.40524       9.428466 
1 1 1 -9  3  21 o 294.4586 4.641994 1159.748       35.58070 1207.030      58.87641 1132.546       44.65813 299.0827 7.310831 289.8346 5.722252 9.248108       9.283987 
1 1 1 -9  3  22 f 407.1024 5.713842 2237.317       60.06234 2232.693      100.2855 2239.904       75.00162 406.6451 9.158815 407.5598 6.834330 -0.9146729     11.42768 
1 1 1 -9  3  23 o 63.19680 12.21704 49.31657       21.16949 32.03593      26.05207 82.90514       36.32103 49.87756 16.58829 76.51604 17.94024 -26.63848      24.43407 
1 1 1 -9  3  24 o 64.18346 13.40233 55.44966       23.85738 49.75631      29.45653 66.30518       40.67456 59.61110 17.32091 68.75581 20.45669 -9.144714      26.80466 
1 1 1 -9  3  25 o 111.7746 9.015217 172.4846       26.40449 179.9528      34.10163 161.3045       41.72425 115.0234 11.01046 108.5257 14.27818 6.497795       18.03043 
1 1 1 -9  3  26 o 74.19445 14.66202 84.25256       34.12852 121.1269      42.66439 18.73018       56.87201 91.89455 17.88573 56.49435 23.23790 35.40021       29.32404 
1 1 1 -9  3  27 o 153.4576 11.28886 354.8531       45.32137 350.0633      57.73733 362.5419       73.15218 154.1541 13.90972 152.7612 17.78406 1.392899       22.57771 
1 1 1 -9  3  28 o 161.2525 11.29682 376.8958       47.28501 340.1444      58.48486 446.2618       80.34888 152.0036 14.28914 170.5014 17.50123 -18.49780      22.59364 
1 1 1 -9  3  29 o 161.6781 8.975126 356.3362       37.42603 325.0233      45.90870 418.3820       64.62336 152.3626 11.19008 170.9937 14.03544 -18.63109      17.95025 
1 1 1 -9  3  30 o 61.71584 15.63146 59.73159       32.22982 56.28918      40.75824 65.47616       52.65178 59.72771 20.73352 63.70397 23.39854 -3.976254      31.26293 
1 1 1 -9  3  31 o 82.96492 15.60267 126.8347       35.81533 145.1601      50.62556 108.4730       50.67552 90.27190 21.19046 75.65794 22.90715 14.61396       31.20534 
1 1 1 -9  3  32 o 42.97282 13.70111 17.40734       33.01154 15.62067      42.64223 20.07968       52.15089 41.59549 18.59456 44.35015 20.12769 -2.754654      27.40222 
1 1 1 -9  5  1  f 1460.859 15.43944 28795.16       607.3193 28710.96      856.1867 28880.42       861.5971 1458.715 21.79790 1463.003 21.87136 -4.287964      30.87887 
1 1 1 -9  5  2  o 1013.492 10.71975 13840.80       292.4658 13662.35      408.0435 14029.32       419.4086 1006.785 15.05173 1020.199 15.26754 -13.41461      21.43951 
1 1 1 -9  5  3  o 871.0361 9.219617 10219.64       216.1661 10074.17      301.0768 10374.40       310.5534 864.6476 12.93167 877.4246 13.14447 -12.77692      18.43923 
1 1 1 -9  5  4  o 610.2831 9.171943 5016.505       150.7218 0.000000      0.000000 5016.505       150.7218 ?        ?        610.2831 9.171943 ?              ?        
1 1 1 -9  5  5  o 553.3485 5.910343 4102.410       87.72306 4359.972      131.2303 3894.345       117.9482 568.9632 8.565771 537.7338 8.145930 31.22943       11.82069 
1 1 1 -9  5  6  o 566.7589 6.020363 4326.015       91.87244 4300.113      129.1925 4352.514       130.6747 565.0433 8.491260 568.4745 8.536838 -3.431213      12.04073 
1 1 1 -9  5  7  o 247.6476 4.012409 825.7656       26.75609 0.000000      0.000000 825.7656       26.75609 ?        ?        247.6476 4.012409 ?              ?        
1 1 1 -9  5  8  o 661.8021 7.015654 5898.285       125.0008 5960.415      178.6747 5838.728       174.9401 665.2132 9.975133 658.3910 9.867843 6.822205       14.03131 
1 1 1 -9  5  9  o 346.2521 3.835497 1612.170       35.71303 1656.078      52.11256 1573.289       49.03915 350.6901 5.518684 341.8142 5.328064 8.875885       7.670993 
1 1 1 -9  5  10 o 711.9100 7.559247 6827.464       144.9060 6825.886      205.1148 6829.035       204.7417 711.8275 10.70136 711.9926 10.67941 -0.1650391     15.11849 
1 1 1 -9  5  11 o 833.1735 10.89906 9237.628       226.0526 9674.734      410.8899 9047.906       270.7011 846.9182 18.01775 819.4288 12.26861 27.48944       21.79812 
1 1 1 -9  5  12 o 462.8609 6.193895 2910.407       73.05981 2809.638      124.4222 2963.436       90.25891 456.6504 10.11884 469.0714 7.146079 -12.42102      12.38779 
1 1 1 -9  5  13 o 701.6241 9.152465 6663.609       163.6090 6565.318      280.2161 6714.448       201.5263 697.4760 14.92040 705.7723 10.60434 -8.296387      18.30493 
1 1 1 -9  5  14 o 445.1269 5.776049 2669.110       62.50291 2675.703      117.1288 2666.485       73.90488 445.3860 9.766609 444.8677 6.169626 0.5183411      11.55210 
1 1 1 -9  5  15 o 195.5807 3.587309 486.7819       17.08055 582.6796      33.20719 452.2830       19.91733 207.9222 5.931273 183.2392 4.036726 24.68297       7.174618 
1 1 1 -9  5  16 o 184.0797 3.683336 436.8131       16.62384 505.1741      31.71244 410.9102       19.52091 193.5313 6.085482 174.6281 4.151477 18.90329       7.366672 
1 1 1 -9  5  17 o 213.0930 3.583376 616.4564       19.96655 594.4498      32.05000 630.4145       25.52494 209.9223 5.670039 216.2638 4.383263 -6.341537      7.166752 
1 1 1 -9  5  18 o 169.7214 3.687717 394.6176       16.55888 346.3785      24.88391 432.9554       22.18362 160.2332 5.767437 179.2096 4.597141 -18.97639      7.375434 
1 1 1 -9  5  19 o 100.5562 5.859402 136.4037       15.82721 133.7398      21.55813 139.5183       23.31054 99.50294 8.046218 101.6095 8.519902 -2.106560      11.71880 
1 1 1 -9  5  20 o 318.2077 7.496911 1366.485       64.23568 1366.485      64.23568 0.000000       0.000000 318.2077 7.496911 ?        ?        ?              ?        
1 1 1 -9  5  21 o 365.7986 5.729447 1804.802       56.24235 1821.145      83.20154 1791.051       76.32057 367.2864 8.412849 364.3108 7.780118 2.975647       11.45889 
1 1 1 -9  5  22 o 239.0685 4.973292 771.6658       31.93632 784.3108      43.86631 757.4042       46.58582 241.1707 6.754967 236.9663 7.301024 4.204376       9.946584 
1 1 1 -9  5  23 o 298.4117 7.458570 1201.789       59.93147 1201.789      59.93147 0.000000       0.000000 298.4117 7.458570 ?        ?        ?              ?        
1 1 1 -9  5  24 o 106.9266 8.155994 148.4810       22.89282 125.3683      28.72861 188.6898       37.89214 96.07199 11.10541 117.7813 11.94784 -21.70930      16.31199 
1 1 1 -9  5  25 o 72.58134 19.75244 41.73848       30.63416 38.05822      31.66802 95.35862       120.8774 54.11660 18.29078 91.04610 35.01546 -36.92950      39.50487 
1 1 1 -9  5  26 o 120.3046 22.29428 195.9069       45.32487 192.6207      47.07954 237.5428       167.5806 118.2555 14.78521 122.3538 42.06588 -4.098259      44.58857 
1 1 1 -9  5  27 f 51.32584 18.79892 -184.7445      63.64165 -162.8903     66.49495 -423.1250      219.6121 35.47949 17.65745 67.17218 33.19355 -31.69269      37.59784 
1 1 1 -9  5  28 o 95.14375 24.04173 133.6619       50.60546 134.0546      51.88177 125.9733       229.5614 93.53345 21.10183 96.75404 43.20569 -3.220581      48.08346 
1 1 1 -9  5  29 o 65.81046 20.39591 44.62117       41.53636 50.97762      42.38184 -109.9443      208.9913 59.55479 21.10668 72.06613 34.90674 -12.51134      40.79182 
1 1 1 -9  5  30 o 93.43726 21.20472 146.6607       42.07503 139.1602      43.68629 242.7515       156.3657 93.84647 17.94193 93.02805 38.42717 0.8184204      42.40944 
1 1 1 -9  5  31 o 50.48497 16.31207 23.54653       43.23484 36.95498      45.82470 -85.11840      130.4533 50.28319 20.78914 50.68676 25.14251 -0.4035683     32.62414 
1 1 1 -9  7  1  o 92.23923 4.526054 123.1301       8.061230 127.2490      8.831411 102.5571       19.73722 97.21602 3.373719 87.26243 8.399922 9.953590       9.052109 
1 1 1 -9  7  2  o 785.9757 10.26233 8287.634       203.2990 8214.453      246.7576 8442.275       358.7022 780.7776 11.73707 791.1738 16.83755 -10.39618      20.52466 
1 1 1 -9  7  3  o 295.6123 3.339242 1168.062       26.44507 1260.242      39.92098 1095.981       35.30155 305.9279 4.846172 285.2967 4.595298 20.63116       6.678483 
1 1 1 -9  7  4  o 262.1906 4.329825 925.6220       30.56828 0.000000      0.000000 925.6220       30.56828 ?        ?        262.1906 4.329825 ?              ?        
1 1 1 -9  7  5  o 201.4955 2.564946 546.7831       13.91235 540.4605      19.84524 552.8932       19.50914 200.3497 3.678615 202.6414 3.575415 -2.291748      5.129893 
1 1 1 -9  7  6  o 558.9618 5.962717 4203.965       89.66219 4304.556      130.1739 4113.163       123.6783 565.3136 8.551676 552.6099 8.311728 12.70367       11.92543 
1 1 1 -9  7  7  o 388.1640 5.237325 2026.646       51.07113 2036.390      90.38299 2022.075       61.90027 388.8252 8.632746 387.5029 5.932452 1.322266       10.47465 
1 1 1 -9  7  8  o 387.9177 5.213455 2038.913       51.47302 1988.286      88.12473 2065.128       63.41487 384.2224 8.517883 391.6129 6.013825 -7.390411      10.42691 
1 1 1 -9  7  9  o 575.5475 7.181841 4461.134       97.97046 4464.585      191.1560 4459.905       114.0945 575.6238 12.33292 575.4713 7.363051 0.1524658      14.36368 
1 1 1 -9  7  10 o 104.2229 4.405777 148.6746       11.10394 140.8091      20.68834 151.8573       13.16011 102.2490 7.514207 106.1967 4.602194 -3.947739      8.811555 
1 1 1 -9  7  11 o 94.00006 6.236076 118.3795       15.65978 98.94539      21.35640 140.9804       23.03082 85.69856 9.254888 102.3016 8.360720 -16.60300      12.47215 
1 1 1 -9  7  12 o 314.9647 5.282191 1334.567       44.74002 1372.093      65.27859 1301.326       61.43965 319.1306 7.596595 310.7989 7.341519 8.331726       10.56438 
1 1 1 -9  7  13 o 465.9779 10.11902 2929.385       126.9659 0.000000      0.000000 2929.385       126.9659 ?        ?        465.9779 10.11902 ?              ?        
1 1 1 -9  7  14 o 152.1534 4.683118 314.8143       17.54770 305.3788      31.90053 318.9080       21.01233 150.4618 7.873870 153.8449 5.072333 -3.383072      9.366237 
1 1 1 -9  7  15 o 284.0734 4.697973 1061.471       33.86819 1169.350      59.99888 1011.021       41.03014 294.3132 7.570944 273.8336 5.564585 20.47958       9.395946 
1 1 1 -9  7  16 o 336.0007 7.930132 1525.294       71.74703 1525.294      71.74703 0.000000       0.000000 336.0007 7.930132 ?        ?        ?              ?        
1 1 1 -9  7  17 o 181.6188 3.980287 440.2615       18.88647 463.9985      31.04935 426.3209       23.79464 185.4248 6.218725 177.8129 4.969727 7.611862       7.960573 
1 1 1 -9  7  18 o 111.1496 5.236024 170.1415       15.21010 151.4992      23.84829 182.9243       19.74788 105.8681 8.365826 116.4311 6.298948 -10.56303      10.47205 
1 1 1 -9  7  19 o 204.6912 4.280078 563.4485       23.39210 576.9250      35.64666 553.2560       31.00063 206.8148 6.401087 202.5676 5.683518 4.247269       8.560157 
1 1 1 -9  7  20 o 138.1492 5.042679 257.2730       18.74175 252.3078      25.87146 262.7561       27.18712 136.7522 7.025921 139.5461 7.235391 -2.793961      10.08536 
1 1 1 -9  7  21 f 290.3509 4.891192 1134.924       38.12057 1160.589      56.45097 1113.410       51.68501 293.3472 7.146708 287.3546 6.679792 5.992554       9.782385 
1 1 1 -9  7  22 o 81.44016 9.556767 94.82652       19.70354 111.0070      26.17812 73.68048       29.92658 90.61317 10.72911 72.26715 15.81813 18.34602       19.11353 
1 1 1 -9  7  23 o 294.6723 5.147218 1172.802       40.82541 1177.210      58.59781 1168.644       56.91083 295.1978 7.371992 294.1467 7.185344 1.051086       10.29444 
1 1 1 -9  7  24 o 76.22414 11.44309 84.72028       22.44515 94.39420      28.39051 68.59522       36.65408 83.18893 12.67431 69.25935 19.05621 13.92958       22.88618 
1 1 1 -9  7  25 o 230.1804 6.013721 724.3613       36.93487 794.6287      50.72928 645.0927       53.88063 242.2879 7.775773 218.0729 9.175877 24.21503       12.02744 
1 1 1 -9  7  26 o 77.31396 16.21228 86.63290       35.80586 85.00371      46.70441 88.95567       55.76654 76.32710 21.69834 78.30082 24.09429 -1.973724      32.42457 
1 1 1 -9  7  27 o 335.6108 23.22768 2231.646       117.7621 2510.251      129.5898 911.0087       282.1420 429.9499 11.19360 241.2718 45.08664 188.6781       46.45537 
1 1 1 -9  7  28 o 55.91414 20.25319 -68.94792      47.21074 -70.92931     48.41718 -30.66880      212.8121 34.36910 16.68340 77.45918 36.91113 -43.09007      40.50638 
1 1 1 -9  7  29 o 74.90987 19.23286 98.33466       44.28436 109.0160      45.89429 -45.94890      168.6760 82.19524 20.73722 67.62448 32.39722 14.57076       38.46572 
1 1 1 -9  7  30 o 75.81447 19.68500 104.8461       43.16772 100.7201      45.96464 135.6873       125.6681 75.83224 21.51473 75.79670 32.97139 0.3553772E-01  39.37000 
1 1 1 -9  7  31 o 55.47543 17.54533 46.42255       44.76759 25.36551      50.51267 123.5175       96.65284 46.47754 20.53731 64.47332 28.45299 -17.99578      35.09065 
1 1 1 -9  9  1  o 210.3391 6.330825 595.8258       35.85615 0.000000      0.000000 595.8258       35.85615 ?        ?        210.3391 6.330825 ?              ?        
1 1 1 -9  9  2  o 120.4833 3.864824 204.0272       9.191586 208.2956      10.08389 183.0606       22.34907 124.3800 3.010885 116.5867 7.119132 7.793282       7.729649 
1 1 1 -9  9  3  o 225.9259 4.552957 687.8940       27.67627 662.6495      39.36900 712.5600       38.91526 221.8234 6.591187 230.0284 6.282826 -8.204956      9.105913 
1 1 1 -9  9  4  o 505.8816 6.752644 3426.859       85.38251 3502.281      153.1749 3392.860       102.8418 509.8460 11.15746 501.9171 7.609467 7.928955       13.50529 
1 1 1 -9  9  5  o 526.8254 6.976628 3746.019       93.01009 3717.792      161.8032 3759.949       113.6668 525.2881 11.43948 528.3628 7.989471 -3.074707      13.95326 
1 1 1 -9  9  6  o 328.2653 4.455729 1447.428       33.76598 1458.355      68.67619 1443.945       38.77662 329.0596 7.750831 327.4709 4.397581 1.588654       8.911459 
1 1 1 -9  9  7  o 204.8569 3.626325 558.9333       16.84885 576.5737      35.36289 553.7527       19.16388 206.9157 6.347035 202.7980 3.509427 4.117661       7.252650 
1 1 1 -9  9  8  o 216.4667 3.820352 638.5728       21.69134 595.3685      34.19570 667.6617       28.05897 210.2608 6.039901 222.6726 4.679739 -12.41179      7.640704 
1 1 1 -9  9  9  f 272.0716 4.199110 991.4887       29.60399 1016.608      49.36064 977.3776       36.99628 274.7376 6.672356 269.4056 5.099975 5.332001       8.398219 
1 1 1 -9  9  10 o 219.8923 3.842798 653.4644       22.49032 635.7067      34.27508 666.8912       29.80382 217.2538 5.859056 222.5308 4.973916 -5.276947      7.685596 
1 1 1 -9  9  11 o 175.9488 5.329631 416.9966       25.25032 0.000000      0.000000 416.9966       25.25032 ?        ?        175.9488 5.329631 ?              ?        
1 1 1 -9  9  12 o 42.81239 10.67627 20.37635       15.62414 30.14707      22.85228 11.80011       21.40991 47.92625 15.51526 37.69851 14.66996 10.22774       21.35255 
1 1 1 -9  9  13 o 182.5127 4.556737 453.0765       21.71445 432.3388      34.88573 466.1928       27.74429 179.0397 7.236277 185.9857 5.540010 -6.946075      9.113474 
1 1 1 -9  9  14 o 161.4481 4.826728 339.8369       19.56809 384.4318      35.58145 320.5013       23.42933 168.7261 7.831734 154.1701 5.643861 14.55606       9.653457 
1 1 1 -9  9  15 o 362.1387 5.027068 1761.906       47.72884 1809.475      77.30020 1732.598       60.67649 365.9541 7.844597 358.3233 6.288716 7.630737       10.05414 
1 1 1 -9  9  16 o 170.7970 4.914448 405.8307       20.09995 367.4523      37.56326 421.2283       23.79280 164.8468 8.462513 176.7471 4.999307 -11.90038      9.828897 
1 1 1 -9  9  17 o 142.0950 5.291525 277.8706       17.76350 261.9357      34.28201 283.7193       20.76911 139.1428 9.150019 145.0471 5.317717 -5.904312      10.58305 
1 1 1 -9  9  18 o 33.03310 9.406506 1.963043       14.73001 -44.94180     28.95572 18.33912       17.10923 27.30867 13.16988 38.75752 13.43442 -11.44885      18.81301 
1 1 1 -9  9  19 o 160.2737 4.728441 348.6313       19.86830 336.8895      31.68880 356.2368       25.50378 157.9999 7.448445 162.5475 5.826944 -4.547607      9.456882 
1 1 1 -9  9  20 o 225.6811 4.545082 678.2740       27.19751 733.5175      43.00934 641.4630       35.10842 233.2220 6.848727 218.1402 5.977124 15.08186       9.090163 
1 1 1 -9  9  21 o 329.2906 5.079569 1456.355       44.53332 1502.968      68.77828 1422.705       58.43708 333.7674 7.652864 324.8137 6.681450 8.953674       10.15914 
1 1 1 -9  9  22 o 305.3004 7.255898 1258.616       59.64883 1258.616      59.64883 0.000000       0.000000 305.3004 7.255898 ?        ?        ?              ?        
1 1 1 -9  9  23 o 229.7551 4.899385 711.5200       30.27116 759.9753      44.03054 668.0888       41.68544 237.1584 6.894964 222.3517 6.962424 14.80672       9.798770 
1 1 1 -9  9  24 o 102.5164 8.868892 145.0814       23.85941 152.1387      30.94225 134.7310       37.47238 105.7925 10.86209 99.24021 14.02298 6.552292       17.73778 
1 1 1 -9  9  25 o 140.4809 9.555176 286.7719       33.97271 355.8776      45.17034 196.7735       51.54826 161.6705 10.37622 119.2913 16.04804 42.37927       19.11035 
1 1 1 -9  9  26 o 42.11134 14.30443 -86.03370      45.71505 -75.06713     57.76902 -104.4069      74.77433 39.87072 19.06332 44.35196 21.33205 -4.481232      28.60885 
1 1 1 -9  9  27 o 102.3079 15.59461 172.8502       41.25057 203.8563      51.85563 119.4165       68.07381 119.1316 16.16537 85.48413 26.67299 33.64746       31.18922 
1 1 1 -9  9  28 o 59.59687 15.67322 37.15885       33.91951 10.33594      42.34321 85.19740       56.66642 46.17664 19.59346 73.01711 24.46825 -26.84048      31.34644 
1 1 1 -9  9  29 o 86.87033 21.29402 136.2438       79.15546 -45.10562     118.6288 281.7838       106.2731 57.35805 27.39481 116.3826 32.60775 -59.02456      42.58803 
1 1 1 -9  9  30 o 40.21508 13.68126 -33.01732      39.41290 -9.640210     43.45410 -141.4538      93.58862 39.12437 17.98734 41.30580 20.61947 -2.181431      27.36251 
1 1 1 -9  9  31 o 56.91729 17.33824 71.26204       46.50339 38.95926      57.99673 129.4249       77.82275 48.58608 21.70495 65.24850 27.04355 -16.66242      34.67648 
1 1 1 -9  11 1  o 667.3211 10.21049 6016.514       183.4665 5979.224      258.5232 6054.349       260.4088 665.2393 14.43239 669.4030 14.44723 -4.163696      20.42098 
1 1 1 -9  11 2  o 186.4706 3.876684 475.4329       16.31623 455.3189      33.84196 481.5244       18.62372 183.8407 6.836448 189.1004 3.657552 -5.259735      7.753367 
1 1 1 -9  11 3  o 537.2889 7.158781 3896.725       97.42316 3875.970      169.2574 3907.009       119.1375 536.1025 11.72510 538.4754 8.216734 -2.372925      14.31756 
1 1 1 -9  11 4  o 231.7284 3.979250 728.2709       22.55415 711.1097      41.56114 735.4344       26.85199 229.7618 6.717787 233.6950 4.267207 -3.933151      7.958499 
1 1 1 -9  11 5  o 41.29123 8.878912 24.11834       10.44087 13.53624      20.43121 27.85857       12.14668 38.01079 14.44860 44.57167 10.32367 -6.560886      17.75782 
1 1 1 -9  11 6  o 89.01703 6.362036 114.5119       12.50417 93.31145      25.57830 121.1695       14.33368 83.18443 11.41948 94.84964 5.612270 -11.66521      12.72407 
1 1 1 -9  11 7  o 821.1434 12.37369 9097.447       273.5909 0.000000      0.000000 9097.447       273.5909 ?        ?        821.1434 12.37369 ?              ?        
1 1 1 -9  11 8  o 356.6248 5.832084 1713.296       56.00395 0.000000      0.000000 1713.296       56.00395 ?        ?        356.6248 5.832084 ?              ?        
1 1 1 -9  11 9  o 134.9841 4.434834 250.3498       15.19881 230.6218      25.74106 260.9088       18.83198 130.7996 7.308643 139.1686 5.025407 -8.369034      8.869667 
1 1 1 -9  11 10 o 361.7908 4.461608 1766.507       43.40728 1674.883      61.70610 1856.261       61.07311 352.4793 6.501464 371.1024 6.111854 -18.62308      8.923217 
1 1 1 -9  11 11 o 326.4427 4.222932 1438.855       37.05748 1377.400      53.18539 1496.841       51.66218 319.6427 6.179369 333.2427 5.757431 -13.59995      8.445864 
1 1 1 -9  11 12 o 273.6771 4.029666 1008.776       29.37035 1018.102      45.08635 1001.900       38.71072 274.7437 6.094441 272.6104 5.273578 2.133270       8.059332 
1 1 1 -9  11 13 o 205.9654 6.807584 572.5379       37.75467 572.5379      37.75467 0.000000       0.000000 205.9654 6.807584 ?        ?        ?              ?        
1 1 1 -9  11 14 o 292.7921 5.683123 1156.732       44.80535 0.000000      0.000000 1156.732       44.80535 ?        ?        292.7921 5.683123 ?              ?        
1 1 1 -9  11 15 o 193.1779 4.629486 515.4422       23.09242 459.4604      37.32730 550.1521       29.39205 184.3995 7.517673 201.9562 5.404920 -17.55672      9.258972 
1 1 1 -9  11 16 o 236.4342 4.508290 763.8985       27.30903 721.8859      45.71466 787.2104       34.05294 231.2333 7.342125 241.6350 5.233730 -10.40176      9.016581 
1 1 1 -9  11 17 o 40.03348 11.19846 13.53899       16.30519 -1.126539     34.42202 17.78153       18.51401 40.95593 17.52940 39.11103 13.94067 1.844906       22.39692 
1 1 1 -9  11 18 o 61.86948 11.47157 55.83317       16.63186 38.99360      40.15877 59.31952       18.27261 57.50902 20.52810 66.22994 10.24620 -8.720924      22.94314 
1 1 1 -9  11 19 o 303.1632 5.298324 1227.221       40.06768 1273.205      72.39170 1206.913       48.10856 307.1069 8.754188 299.2195 5.971027 7.887329       10.59665 
1 1 1 -9  11 20 o 506.4234 7.128220 3400.156       90.52654 3643.602      163.1374 3291.840       108.8176 518.9628 11.67438 493.8839 8.182594 25.07889       14.25644 
1 1 1 -9  11 21 o 113.9617 6.772752 168.3055       20.27780 211.2162      33.47620 143.4355       25.48537 124.9319 9.951294 102.9915 9.189799 21.94034       13.54550 
1 1 1 -9  11 22 o 144.5756 5.834032 281.2568       22.46166 292.9927      34.72165 272.8110       29.45523 147.1089 8.765523 142.0423 7.701254 5.066666       11.66806 
1 1 1 -9  11 23 o 230.5023 5.021853 720.0054       31.09425 685.8541      44.83542 751.6526       43.16022 225.1830 7.394387 235.8217 6.796989 -10.63864      10.04371 
1 1 1 -9  11 24 o 221.4026 6.074113 665.1265       36.21142 663.3547      51.26702 666.8905       51.15453 221.1042 8.611082 221.7011 8.569054 -0.5968933     12.14823 
1 1 1 -9  11 25 o 133.8571 9.682518 264.2142       34.01221 273.0510      44.08377 251.2174       53.46270 137.9787 11.86542 129.7355 15.30413 8.243225       19.36504 
1 1 1 -9  11 26 o 37.08481 12.69850 -77.21028      39.66707 -48.04018     52.47799 -116.0920      60.58725 39.03990 18.52467 35.12972 17.37366 3.910183       25.39700 
1 1 1 -9  11 27 o 67.22083 14.89752 72.40912       31.19742 89.66737      40.24037 46.40775       49.39256 75.61894 19.60097 58.82272 22.43983 16.79622       29.79504 
1 1 1 -9  11 28 o 96.89177 12.75931 143.3680       31.95740 136.6438      41.12408 153.6188       50.77591 95.84712 15.93433 97.93641 19.93230 -2.089287      25.51861 
1 1 1 -9  11 29 o 52.49161 15.40302 35.14267       35.55807 30.98175      47.61797 40.38740       53.46112 50.69059 21.09381 54.29262 22.45135 -3.602024      30.80604 
1 1 1 -9  11 30 o 44.48460 14.95376 -18.07793      42.44090 -50.80894     50.35370 62.21465       78.86591 34.16004 16.67795 54.80915 24.82551 -20.64912      29.90752 
1 1 1 -9  13 1  f 349.9739 5.124549 1647.505       45.13627 1638.247      54.75597 1667.135       79.72791 348.5802 5.833717 351.3677 8.426848 -2.787506      10.24910 
1 1 1 -9  13 2  o 448.0972 4.981861 2708.161       60.10826 2696.387      85.21699 2719.820       84.79641 447.1242 7.078066 449.0702 7.012612 -1.946014      9.963721 
1 1 1 -9  13 3  o 403.0259 4.543981 2189.908       49.30889 2177.572      70.00578 2202.054       69.46398 401.8959 6.468997 404.1560 6.383035 -2.260162      9.087962 
1 1 1 -9  13 4  o 48.89007 7.116832 29.04657       8.525973 47.88386      15.92970 21.48386       10.09338 58.66206 10.46880 39.11808 9.643720 19.54399       14.23366 
1 1 1 -9  13 5  o 247.0341 3.384613 823.7504       22.43775 801.4500      32.85999 843.2313       30.71233 243.8875 5.003737 250.1807 4.559062 -6.293243      6.769227 
1 1 1 -9  13 6  o 597.1025 6.486722 4799.208       104.0901 4597.271      141.8988 5034.457       153.1561 583.5698 9.030311 610.6353 9.314704 -27.06555      12.97344 
1 1 1 -9  13 7  o 146.1075 3.809807 292.2685       14.50679 268.3494      23.14997 307.7342       18.61502 141.0860 6.093731 151.1290 4.574381 -10.04305      7.619615 
1 1 1 -9  13 8  o 320.4261 3.960031 1385.253       34.11358 1363.124      49.42728 1405.382       47.14161 317.9671 5.772995 322.8852 5.422167 -4.918121      7.920061 
1 1 1 -9  13 9  o 114.4899 4.858509 181.1353       14.12401 163.5434      23.77056 190.7355       17.55993 110.0419 8.022283 118.9379 5.483010 -8.896042      9.717017 
1 1 1 -9  13 10 o 105.0952 5.398427 148.6111       14.58646 150.9377      24.69425 147.3644       18.07706 105.6792 8.678065 104.5112 6.423645 1.167969       10.79685 
1 1 1 -9  13 11 o 211.4020 3.932587 605.7303       22.07197 584.1874      33.85882 621.6500       29.10641 208.0828 6.042994 214.7211 5.034200 -6.638260      7.865173 
1 1 1 -9  13 12 o 145.4520 4.646711 284.2282       18.01357 295.3852      27.74321 276.0963       23.68537 147.8814 6.967226 143.0226 6.150242 4.858780       9.293423 
1 1 1 -9  13 13 o 133.3599 5.095285 240.1937       17.91890 240.4283      28.37283 240.0381       23.11120 133.3698 7.900629 133.3500 6.436443 0.1979065E-01  10.19057 
1 1 1 -9  13 14 o 265.3326 4.239123 951.4775       30.20627 872.7902      42.75808 1029.871       42.67825 254.3390 6.243411 276.3261 5.735896 -21.98715      8.478247 
1 1 1 -9  13 15 o 130.9142 5.985701 232.3972       20.80149 226.3451      32.01287 236.8199       27.36615 129.3928 9.188214 132.4357 7.674059 -3.042923      11.97140 
1 1 1 -9  13 16 o 86.38248 10.35948 124.7622       20.22131 57.54330      34.88861 158.7663       24.81436 64.33649 18.89548 108.4285 8.499166 -44.09199      20.71896 
1 1 1 -9  13 17 o 346.0467 4.889853 1612.534       44.57706 1628.667      70.95470 1602.016       57.29594 347.4067 7.585071 344.6867 6.173279 2.719971       9.779707 
1 1 1 -9  13 18 f 264.8439 4.818217 958.8663       33.17699 893.3610      53.49442 999.8117       42.29346 257.3326 7.720230 272.3552 5.767056 -15.02258      9.636435 
1 1 1 -9  13 19 o 191.0757 5.450657 502.7776       24.95252 470.1376      47.01611 515.5762       29.44092 186.5719 9.358732 195.5796 5.590421 -9.007660      10.90131 
1 1 1 -9  13 20 o 156.2779 11.29888 331.3370       47.54625 331.3370      47.54625 0.000000       0.000000 156.2779 11.29888 ?        ?        ?              ?        
1 1 1 -9  13 21 o 138.4415 7.589955 284.2953       23.57683 215.8134      46.04274 308.6337       27.44851 125.7351 13.59944 151.1478 6.744249 -25.41267      15.17991 
1 1 1 -9  13 22 f 204.8834 5.501495 548.5959       28.70862 627.3851      50.83857 511.7079       34.78588 215.1726 8.774512 194.5942 6.638804 20.57838       11.00299 
1 1 1 -9  13 23 o 186.7578 8.715334 473.3573       43.82746 0.000000      0.000000 473.3573       43.82746 ?        ?        186.7578 8.715334 ?              ?        
1 1 1 -9  13 24 o 45.56782 13.10786 -15.49124      31.22045 -86.20725     43.15270 62.17956       45.22493 29.34960 14.54121 61.78605 21.81324 -32.43645      26.21572 
1 1 1 -9  13 25 o 35.56228 12.22132 -102.0463      38.94595 -45.64775     50.79967 -182.4590      60.65815 39.94611 18.72891 31.17845 15.70575 8.767656       24.44264 
1 1 1 -9  13 26 f 86.14219 13.17823 112.6805       29.40701 103.2445      38.56012 125.7972       45.46273 82.16141 17.93304 90.12297 19.31499 -7.961563      26.35646 
1 1 1 -9  13 27 o 53.96195 14.59270 37.57296       29.50038 30.73639      39.67999 46.02146       44.11051 50.80878 19.91598 57.11512 21.33405 -6.306339      29.18540 
1 1 1 -9  13 28 o 54.83624 15.06557 44.03373       32.09453 53.72344      45.60661 34.52718       45.17353 57.95146 21.68370 51.72101 20.92134 6.230453       30.13113 
1 1 1 -9  13 29 o 63.51546 14.86505 72.89967       34.09047 128.1051      49.08698 21.46540       47.38070 81.23732 21.92928 45.79359 20.07450 35.44373       29.73010 
1 1 1 -9  15 1  f 411.8303 4.669454 2286.521       51.72543 2214.142      71.17229 2367.548       75.30403 404.9478 6.527225 418.7128 6.679111 -13.76498      9.338907 
1 1 1 -9  15 2  o 93.07500 3.461318 116.8176       8.653183 106.1026      12.09657 128.0467       12.38337 88.69876 5.064788 97.45123 4.719195 -8.752472      6.922636 
1 1 1 -9  15 3  o 455.8853 5.082472 2803.177       62.31458 2883.182      90.83154 2732.041       85.64890 461.9984 7.301511 449.7721 7.072060 12.22638       10.16494 
1 1 1 -9  15 4  o 136.3600 4.740672 250.6751       17.40645 250.6751      17.40645 0.000000       0.000000 136.3600 4.740672 ?        ?        ?              ?        
1 1 1 -9  15 5  o 367.4596 4.291220 1818.816       42.37470 1868.835      62.24848 1775.620       57.84705 372.1403 6.212104 362.7789 5.921828 9.361389       8.582440 
1 1 1 -9  15 6  o 477.0443 5.323773 3073.816       68.34577 3100.585      98.52282 3048.984       94.89051 479.0211 7.638337 475.0674 7.417954 3.953705       10.64755 
1 1 1 -9  15 7  o 194.0764 3.561179 506.1548       18.36375 518.9005      28.53715 497.1465       23.99100 196.1294 5.403615 192.0233 4.639927 4.106171       7.122358 
1 1 1 -9  15 8  o 194.9830 3.629873 514.9587       18.90756 493.5162      28.24221 532.3755       25.45339 191.2645 5.483791 198.7016 4.757303 -7.437103      7.259745 
1 1 1 -9  15 9  o 125.1428 4.657048 207.7896       15.38584 229.2109      24.76170 194.3181       19.63662 130.2822 7.058495 120.0034 6.077009 10.27877       9.314096 
1 1 1 -9  15 10 o 133.8132 4.689188 234.3580       16.58372 281.6735      26.77948 204.9257       21.12095 144.4173 6.886515 123.2091 6.366304 21.20824       9.378375 
1 1 1 -9  15 11 o 290.4022 4.013181 1136.630       31.22060 1147.730      46.67566 1127.642       41.99891 291.6564 5.943408 289.1480 5.394293 2.508392       8.026362 
1 1 1 -9  15 12 o 143.1111 4.897359 274.0794       18.66688 291.7288      28.95256 261.5233       24.42024 147.0004 7.314505 139.2217 6.514178 7.778717       9.794718 
1 1 1 -9  15 13 o 496.1641 5.683905 3317.844       75.78200 3417.772      111.4143 3231.807       103.3800 503.0693 8.224882 489.2589 7.847192 13.81039       11.36781 
1 1 1 -9  15 14 o 182.7957 4.638754 450.0168       22.74094 457.9113      33.83533 443.5124       30.71212 184.2424 6.820208 181.3490 6.289431 2.893387       9.277509 
1 1 1 -9  15 15 o 359.3796 4.776443 1742.406       46.20467 1729.057      66.08908 1755.168       64.62215 358.0229 6.855443 360.7362 6.652858 -2.713318      9.552885 
1 1 1 -9  15 16 o 399.0204 5.107642 2140.496       54.63263 2218.089      81.79478 2077.999       73.40822 405.5007 7.491187 392.5400 6.945081 12.96066       10.21528 
1 1 1 -9  15 17 o 157.0815 6.088595 339.7240       24.70280 308.0195      40.11975 359.0831       31.35032 150.9966 9.867512 163.1664 7.135557 -12.16982      12.17719 
1 1 1 -9  15 18 o 580.9161 6.654187 4553.399       103.8436 4641.319      152.7647 4477.875       141.5858 586.0637 9.680432 575.7686 9.132471 10.29517       13.30837 
1 1 1 -9  15 19 o 515.5168 8.363227 3593.745       116.0914 0.000000      0.000000 3593.745       116.0914 ?        ?        515.5168 8.363227 ?              ?        
1 1 1 -9  15 20 o 379.8945 6.863422 1950.423       70.20807 0.000000      0.000000 1950.423       70.20807 ?        ?        379.8945 6.863422 ?              ?        
1 1 1 -9  15 21 o 149.7291 7.194796 304.8752       26.39984 303.1976      48.65847 305.5751       31.42759 149.1742 12.11383 150.2841 7.766309 -1.109863      14.38959 
1 1 1 -9  15 22 o 208.3417 6.544617 565.6666       34.57396 660.7872      62.01369 522.7651       41.64722 220.2747 10.45538 196.4087 7.874843 23.86594       13.08923 
1 1 1 -9  15 23 o 47.26169 14.49451 2.802804       35.26743 -38.57687     59.49437 25.22110       43.79088 43.66286 20.40647 50.86051 20.58977 -7.197647      28.98901 
1 1 1 -9  15 24 o 70.26297 16.81770 74.44892       38.95636 106.2097      57.34969 47.23859       53.08262 80.42313 24.37325 60.10281 23.17941 20.32033       33.63540 
1 1 1 -9  15 25 o 85.14645 12.98817 110.6150       29.72025 78.58017      41.33812 144.8907       42.75948 70.57250 20.52271 99.72041 15.92447 -29.14791      25.97634 
1 1 1 -9  15 26 o 100.6478 16.03662 149.2553       43.46109 0.000000      0.000000 149.2553       43.46109 ?        ?        100.6478 16.03662 ?              ?        
1 1 1 -9  15 27 f 59.64617 13.79710 43.24369       31.19076 110.1505      45.98833 -13.75071      42.44521 80.29280 21.02329 38.99955 17.87349 41.29325       27.59421 
1 1 1 -9  15 28 o 119.2987 10.53619 224.0949       33.71549 249.8621      48.74507 200.4612       46.68353 126.5464 14.30531 112.0509 15.47266 14.49555       21.07238 
1 1 1 -9  17 1  o 495.6198 5.521674 3313.863       73.63310 3230.709      101.7515 3405.285       106.6898 489.1157 7.725842 502.1240 7.890936 -13.00827      11.04335 
1 1 1 -9  17 2  o 384.5768 4.468613 1994.729       46.25934 2016.198      66.40681 1974.490       64.47705 386.5791 6.379562 382.5746 6.259009 4.004425       8.937226 
1 1 1 -9  17 3  o 428.5299 4.863052 2476.167       56.07997 2416.555      77.66942 2541.091       81.05711 423.1559 6.816575 433.9039 6.937679 -10.74799      9.726104 
1 1 1 -9  17 4  o 173.5194 3.358223 405.5739       15.68276 388.0247      21.89128 424.0763       22.47791 169.6641 4.791790 177.3746 4.706316 -7.710541      6.716447 
1 1 1 -9  17 5  o 178.4897 3.446815 429.4737       16.54303 400.0229      23.19918 459.9422       23.59662 172.2580 5.001612 184.7214 4.744050 -12.46346      6.893630 
1 1 1 -9  17 6  o 480.3508 5.378444 3112.892       69.50574 3181.291      100.8182 3050.935       95.95405 485.3545 7.714299 475.3470 7.496682 10.00742       10.75689 
1 1 1 -9  17 7  o 160.1210 3.879735 345.7519       16.71585 329.0219      23.52207 362.8210       23.75927 156.2026 5.592471 164.0394 5.379001 -7.836746      7.759471 
1 1 1 -9  17 8  o 303.1000 4.003356 1239.063       32.66091 1232.358      46.76980 1245.446       45.63028 302.2921 5.745863 303.9079 5.576064 -1.615784      8.006712 
1 1 1 -9  17 9  o 118.8884 5.151899 189.8590       16.33303 197.1399      25.09724 184.5098       21.51184 120.8383 7.713262 116.9385 6.831825 3.899803       10.30380 
1 1 1 -9  17 10 o 67.79323 9.233643 63.31255       16.03204 71.03415      25.24865 58.09621       20.75239 71.18012 13.67024 64.40633 12.41633 6.773788       18.46729 
1 1 1 -9  17 11 o 272.2780 4.029428 1000.288       29.48795 984.9767      42.83647 1014.078       40.65363 270.2837 5.885867 274.2724 5.504702 -3.988739      8.058857 
1 1 1 -9  17 12 o 193.7215 4.229906 503.1500       21.98824 540.2898      32.80642 472.8580       29.62803 200.1703 6.086616 187.2727 5.875501 12.89755       8.459811 
1 1 1 -9  17 13 o 106.3609 6.789281 152.1135       19.34097 175.8241      28.33242 131.4220       26.46727 114.1007 9.221723 98.62109 9.966804 15.47958       13.57856 
1 1 1 -9  17 14 f 329.7397 4.536963 1464.548       40.23539 1492.545      58.55888 1439.510       55.37720 332.7134 6.536407 326.7661 6.293767 5.947296       9.073926 
1 1 1 -9  17 15 o 390.7829 5.071161 2059.080       53.33613 2081.851      76.78791 2037.852       74.13916 392.8610 7.258896 388.7048 7.083442 4.156158       10.14232 
1 1 1 -9  17 16 o 132.7534 6.821434 237.5380       24.35314 251.8145      35.49868 224.8452       33.47171 136.5114 9.657391 128.9953 9.636526 7.516129       13.64287 
1 1 1 -9  17 17 o 134.6217 6.991006 245.7601       25.11491 243.4015      38.05226 247.5806       33.43056 133.9923 10.54671 135.2510 9.179514 -1.258713      13.98201 
1 1 1 -9  17 18 o 82.30420 11.63735 108.2573       24.18510 53.34332      39.62015 140.8721       30.53387 62.80462 20.43627 101.8038 11.13870 -38.99916      23.27470 
1 1 1 -9  17 19 o 325.2679 5.115540 1435.414       43.83718 1407.659      69.22878 1453.993       56.63935 322.4802 7.972607 328.0557 6.411907 -5.575562      10.23108 
1 1 1 -9  17 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 21 o 175.1054 8.257699 487.3761       32.85104 261.2633      55.21253 611.2917       40.87316 137.7003 14.89085 212.5105 7.142898 -74.81021      16.51540 
1 1 1 -9  17 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 24 o 52.45533 13.83643 33.43243       27.06270 15.59080      37.86961 52.05393       38.68841 45.70287 18.89735 59.20778 20.21578 -13.50491      27.67286 
1 1 1 -9  17 25 o 50.85567 13.29655 23.82545       29.84944 -44.23846     47.79727 67.34197       38.21833 36.97294 17.58319 64.73840 19.95055 -27.76546      26.59310 
1 1 1 -9  17 26 o 50.29469 14.37643 18.57124       30.59157 68.08083      51.06853 -9.137540      38.20475 62.74432 23.04436 37.84507 17.19547 24.89925       28.75286 
1 1 1 -9  17 27 o 47.78809 14.49290 28.01819       33.55838 44.89820      49.38927 13.54164       45.73817 51.93843 21.53687 43.63776 19.39947 8.300663       28.98579 
1 1 1 -9  19 1  o 138.7186 3.752195 260.2170       13.86350 265.5817      18.41075 253.1914       21.06889 140.3871 4.870359 137.0501 5.709245 3.336929       7.504391 
1 1 1 -9  19 2  o 613.8633 6.719337 5091.270       111.0576 5042.054      155.8845 5141.998       158.2608 610.8570 9.477201 616.8696 9.527887 -6.012573      13.43867 
1 1 1 -9  19 3  o 335.7585 4.155196 1519.690       37.56281 1501.582      52.66533 1538.440       53.59042 333.7243 5.860754 337.7928 5.891874 -4.068451      8.310392 
1 1 1 -9  19 4  o 567.1262 6.253782 4344.453       95.50027 4332.392      134.8768 4356.578       135.2395 566.3368 8.844616 567.9156 8.843750 -1.578796      12.50756 
1 1 1 -9  19 5  o 217.2502 3.633436 636.1436       21.25499 635.8504      30.06995 636.4364       30.04825 217.2000 5.141496 217.3004 5.135413 -0.1003265     7.266873 
1 1 1 -9  19 6  o 360.9027 4.406431 1756.360       42.81742 1762.096      61.01196 1750.793       60.10419 361.4799 6.268267 360.3255 6.194787 1.154358       8.812862 
1 1 1 -9  19 7  o 289.0980 3.969652 1126.553       30.88773 1130.365      44.38625 1122.975       43.00994 289.5669 5.692672 288.6291 5.534079 0.9378357      7.939304 
1 1 1 -9  19 8  o 509.8058 5.748715 3507.552       78.91110 3463.493      111.0287 3552.523       112.1744 506.5695 8.139785 513.0421 8.120025 -6.472534      11.49743 
1 1 1 -9  19 9  o 249.5662 3.971176 838.9972       26.58917 845.1110      39.38357 833.8764       36.04355 250.3897 5.841377 248.7427 5.381382 1.647034       7.942352 
1 1 1 -9  19 10 o 50.91484 10.28419 28.54520       16.83940 64.17678      26.07353 3.047328       22.05639 67.49655 14.75755 34.33312 14.32735 33.16343       20.56837 
1 1 1 -9  19 11 o 198.3251 4.306434 527.3439       22.93286 571.9633      33.99421 490.0780       31.06702 205.9805 6.129083 190.6697 6.051102 15.31078       8.612867 
1 1 1 -9  19 12 o 374.4528 4.719440 1888.112       47.52260 1940.568      69.34908 1841.671       65.25208 379.3387 6.789381 369.5669 6.557192 9.771881       9.438880 
1 1 1 -9  19 13 o 459.8310 5.445976 2852.157       67.41510 2892.162      96.60351 2814.179       94.12355 462.9669 7.749249 456.6951 7.654002 6.271759       10.89195 
1 1 1 -9  19 14 o 134.7271 6.566038 245.5408       23.80408 233.2494      33.31976 258.3537       34.01923 131.2743 9.426245 138.1799 9.143156 -6.905609      13.13208 
1 1 1 -9  19 15 o 234.6882 4.930325 744.8116       31.11355 766.5086      43.29620 721.6415       44.74181 238.2504 6.748895 231.1260 7.189215 7.124466       9.860649 
1 1 1 -9  19 16 o 193.2903 5.561357 505.7052       28.93286 518.8770      40.73550 492.2958       41.10144 195.8481 7.724497 190.7324 8.002933 5.115723       11.12271 
1 1 1 -9  19 17 o 209.7026 5.584992 595.2007       31.39754 594.7838      46.62676 595.5466       42.46948 209.5837 8.262173 209.8215 7.516984 -0.2377167     11.16998 
1 1 1 -9  19 18 o 418.4369 8.483275 2373.977       95.58218 2373.977      95.58218 0.000000       0.000000 418.4369 8.483275 ?        ?        ?              ?        
1 1 1 -9  19 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  19 20 o 41.17032 12.92581 -42.62533      35.14992 -219.2137     68.62528 20.17931       40.92597 32.37967 16.35910 49.96097 20.01714 -17.58130      25.85162 
1 1 1 -9  19 21 o 225.0590 9.296950 695.1444       56.34045 0.000000      0.000000 695.1444       56.34045 ?        ?        225.0590 9.296950 ?              ?        
1 1 1 -9  19 22 o 99.74443 11.22963 144.4045       28.33082 147.8338      46.73709 142.4125       35.62139 99.07716 18.18911 100.4117 13.17477 -1.334541      22.45926 
1 1 1 -9  19 23 o 94.69125 11.94328 151.3446       28.27427 57.43361      42.43833 226.3020       37.91469 62.04576 21.17290 127.3367 11.05784 -65.29099      23.88656 
1 1 1 -9  19 24 o 111.5870 11.46369 191.4372       31.40191 178.4670      52.99508 198.4552       38.98251 105.6888 19.33435 117.4851 12.32264 -11.79626      22.92738 
1 1 1 -9  19 25 o 41.57337 13.30914 -1.211818      30.80995 -12.03341     53.87455 4.047422       37.55775 42.94353 19.84530 40.20321 17.73971 2.740326       26.61829 
1 1 1 -9  19 26 o 36.44956 12.20617 -19.33485      31.88689 -33.99489     50.09771 -9.351014      41.34274 36.10350 17.38892 36.79563 17.13441 -0.6921272     24.41234 
1 1 1 -9  21 1  o 325.9382 4.192533 1425.759       36.64711 1365.116      49.26331 1500.902       54.83729 318.2258 5.749166 333.6507 6.103804 -15.42493      8.385066 
1 1 1 -9  21 2  o 705.9224 7.675365 6737.023       145.8807 6678.431      204.5990 6797.614       208.0574 702.8127 10.81136 709.0321 10.89768 -6.219421      15.35073 
1 1 1 -9  21 3  o 409.4705 4.830603 2258.850       53.21885 2205.673      73.52109 2317.384       77.13452 404.4213 6.751411 414.5198 6.910670 -10.09848      9.661206 
1 1 1 -9  21 4  o 653.0634 7.146141 5763.334       125.6638 5763.165      177.6660 5763.503       177.7650 653.0544 10.10349 653.0723 10.10885 -0.1788330E-01 14.29228 
1 1 1 -9  21 5  o 622.3130 6.844673 5231.073       114.6850 5181.860      160.8878 5281.911       163.5224 619.3449 9.647330 625.2811 9.712220 -5.936218      13.68935 
1 1 1 -9  21 6  f 394.9177 4.795449 2103.265       50.98986 2102.855      72.57133 2103.664       71.65845 394.8755 6.825296 394.9599 6.738000 -0.8441162E-01 9.590898 
1 1 1 -9  21 7  o 572.1766 6.359633 4414.712       97.89597 4283.815      135.0354 4559.721       142.1284 563.2657 8.903296 581.0875 9.083560 -17.82178      12.71927 
1 1 1 -9  21 8  o 256.4413 4.088334 886.7203       28.22202 876.2966      40.25965 896.7916       39.57315 254.9544 5.864408 257.9281 5.697948 -2.973740      8.176667 
1 1 1 -9  21 9  o 354.2168 4.589565 1691.732       43.71793 1709.360      63.61228 1675.954       60.18311 355.9484 6.636980 352.4852 6.340892 3.463257       9.179130 
1 1 1 -9  21 10 o 239.6423 4.319845 774.8474       27.82898 776.8790      40.56237 773.0408       38.25146 239.9236 6.278660 239.3611 5.934869 0.5625153      8.639690 
1 1 1 -9  21 11 o 164.9130 5.171216 366.5006       22.92190 381.6597      33.66017 353.3919       31.30116 168.0757 7.437517 161.7503 7.186739 6.325378       10.34243 
1 1 1 -9  21 12 o 121.0065 6.990642 198.3493       22.52529 160.9308      31.02784 240.0451       32.75328 108.8889 10.58241 133.1242 9.137229 -24.23524      13.98128 
1 1 1 -9  21 13 o 118.9833 7.427089 193.2531       23.67450 208.9998      32.87321 176.2859       34.12338 124.1084 9.836885 113.8581 11.13024 10.25023       14.85418 
1 1 1 -9  21 14 f 218.8521 5.163403 648.0402       30.41016 657.1802      42.47693 638.4296       43.55630 220.4555 7.155645 217.2487 7.445783 3.206772       10.32681 
1 1 1 -9  21 15 o 39.25797 17.27511 -8.415500      35.38274 0.000000      0.000000 -8.415500      35.38274 ?        ?        39.25797 17.27511 ?              ?        
1 1 1 -9  21 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  21 17 o 65.96170 15.53811 59.12728       31.91734 62.52400      50.07947 56.80375       41.41948 67.83279 23.00089 64.09062 20.89714 3.742165       31.07622 
1 1 1 -9  21 18 o 32.79486 16.30559 -136.5760      56.14104 0.000000      0.000000 -136.5760      56.14104 ?        ?        32.79486 16.30559 ?              ?        
1 1 1 -9  21 19 o 237.5489 8.053624 753.0438       48.80054 880.9708      86.36372 693.0388       59.14853 250.8324 12.78687 224.2653 9.794863 26.56706       16.10725 
1 1 1 -9  21 20 o 80.10088 14.77107 84.55157       31.82007 156.6203      56.73301 51.47498       38.43463 100.5224 21.60317 59.67933 20.15047 40.84311       29.54215 
1 1 1 -9  21 21 o 94.09991 11.88867 126.6404       28.33043 147.6067      48.11560 115.5145       35.05029 98.36604 18.85211 89.83378 14.49001 8.532257       23.77735 
1 1 1 -9  21 22 o 70.50493 13.97719 88.40244       30.96750 29.73605      53.95672 117.2192       37.81584 53.74342 22.41657 87.26643 16.70163 -33.52300      27.95438 
1 1 1 -9  21 23 o 42.73804 13.83200 -5.871495      31.83396 -5.418356     62.37724 -6.031082      37.01756 47.46038 21.72033 38.01571 17.13256 9.444672       27.66401 
1 1 1 -9  21 24 o 66.94417 15.25921 60.45051       32.69131 165.9551      60.45325 16.84629       38.86406 90.87091 24.25398 43.01742 18.52344 47.85349       30.51841 
1 1 1 -9  21 25 o 40.49065 13.02149 8.899579       31.17667 -3.355680     48.97101 17.25193       40.42801 39.53844 18.49018 41.44287 18.33985 -1.904427      26.04299 
1 1 1 -9  23 1  o 172.6206 4.227018 406.6322       19.31906 429.4002      25.54737 376.2231       29.52475 178.3776 5.318908 166.8637 6.571146 11.51392       8.454037 
1 1 1 -9  23 2  o 46.18468 9.989165 29.28499       14.83170 42.98751      19.09121 8.424191       23.55583 55.03881 13.07555 37.33056 15.10509 17.70826       19.97833 
1 1 1 -9  23 3  o 190.9774 4.053169 493.8512       20.76264 513.8097      28.51124 471.3164       30.29555 195.1243 5.426520 186.8306 6.022094 8.293762       8.106339 
1 1 1 -9  23 4  o 345.7588 4.462217 1614.881       41.51559 1621.762      57.72428 1607.509       59.75203 346.5432 6.186112 344.9745 6.432539 1.568726       8.924435 
1 1 1 -9  23 5  o 207.6360 4.207514 583.1404       23.43671 595.7210      32.00089 568.5856       34.42021 210.0839 5.656995 205.1881 6.229857 4.895874       8.415029 
1 1 1 -9  23 6  o 183.4262 4.397603 454.1641       21.70470 430.7291      30.35695 478.6730       31.04478 178.5791 6.313123 188.2734 6.123734 -9.694305      8.795206 
1 1 1 -9  23 7  o 166.0457 4.793880 371.4147       21.37006 333.1587      29.40578 414.2330       31.10980 156.9966 6.955992 175.0947 6.598434 -18.09807      9.587761 
1 1 1 -9  23 8  o 307.0385 4.464883 1273.386       36.90434 1277.452      52.82316 1269.508       51.58025 307.5067 6.379498 306.5703 6.248417 0.9364014      8.929766 
1 1 1 -9  23 9  o 334.5970 4.662391 1513.260       41.99397 1475.234      59.50334 1550.994       59.27420 330.3903 6.688531 338.8039 6.497315 -8.413605      9.324781 
1 1 1 -9  23 10 o 560.4941 6.387269 4257.519       96.39416 4206.913      135.6542 4309.133       136.9996 557.1261 9.042664 563.8621 9.023250 -6.735962      12.77454 
1 1 1 -9  23 11 o 359.9995 4.925590 1751.595       47.73822 1708.001      66.89505 1796.835       68.14643 355.4314 6.989640 364.5677 6.941951 -9.136292      9.851180 
1 1 1 -9  23 12 o 304.9287 5.094725 1255.478       41.76128 1310.524      61.25910 1207.686       57.08078 311.1332 7.312078 298.7242 7.096366 12.40900       10.18945 
1 1 1 -9  23 13 o 79.39105 13.57721 91.40828       28.92609 109.2823      41.31466 74.22160       40.51249 87.09344 18.20336 71.68867 20.14945 15.40478       27.15442 
1 1 1 -9  23 14 o 53.73721 14.36893 22.83336       30.65935 57.94442      44.63367 -8.534487      42.18742 64.77676 21.71553 42.69766 18.82285 22.07910       28.73785 
1 1 1 -9  23 15 o 29.83871 15.00900 -161.3488      54.30016 0.000000      0.000000 -161.3488      54.30016 ?        ?        29.83871 15.00900 ?              ?        
1 1 1 -9  23 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  23 17 o 102.6503 13.79763 147.1337       36.51992 224.0441      60.34923 102.6964       45.87256 123.8903 18.09052 81.41028 20.83823 42.48005       27.59526 
1 1 1 -9  23 18 o 81.59122 14.77047 97.27218       31.48222 140.6703      54.59969 75.65748       38.53270 93.63366 22.02460 69.54877 19.68716 24.08489       29.54095 
1 1 1 -9  23 19 o 57.17101 14.29660 22.94025       30.46514 94.74353      51.05577 -16.76169      37.96458 76.83947 22.93207 37.50254 17.07896 39.33693       28.59319 
1 1 1 -9  23 20 o 70.34760 15.12703 81.03480       30.54581 87.94132      49.82572 76.87612       38.66354 71.93983 22.87025 68.75537 19.80555 3.184456       30.25406 
1 1 1 -9  23 21 o 87.18190 13.49133 129.6697       31.08681 97.06245      48.72136 152.0597       40.37288 73.86890 22.48254 100.4949 14.91978 -26.62601      26.98267 
1 1 1 -9  23 22 o 61.39094 14.16630 70.64622       32.32244 8.079616      54.61254 104.3784       40.09989 45.73435 20.69192 77.04753 19.35408 -31.31318      28.33260 
1 1 1 -9  23 23 o 71.71494 15.92899 110.6433       33.74157 122.2482      54.10719 103.2584       43.16220 72.55988 23.89527 70.86999 21.07006 1.689896       31.85799 
1 1 1 -9  25 1  o 39.71375 11.46754 -2.146374      19.35452 -17.31861     23.59411 29.06711       33.84152 28.74568 13.22998 50.68181 18.73460 -21.93613      22.93507 
1 1 1 -9  25 2  o 238.9961 4.558355 774.4274       29.24690 813.7902      40.54219 731.7144       42.23229 245.3932 6.135659 232.5990 6.743004 12.79427       9.116711 
1 1 1 -9  25 3  o 314.6381 4.632999 1338.155       39.15975 1331.198      53.51573 1346.173       57.45430 313.8033 6.333454 315.4730 6.763585 -1.669708      9.265998 
1 1 1 -9  25 4  o 121.6147 7.296016 204.7155       23.40329 223.2695      31.08542 180.4380       35.55820 128.2417 9.002105 114.9877 11.48432 13.25406       14.59203 
1 1 1 -9  25 5  o 269.3779 4.726021 980.9561       34.22395 972.8566      46.98564 990.1101       49.95025 268.2266 6.505489 270.5293 6.857092 -2.302765      9.452043 
1 1 1 -9  25 6  o 143.6389 6.208243 279.1068       23.97501 261.7440      32.89202 298.7884       35.01945 138.8853 8.795301 148.3925 8.764235 -9.507172      12.41649 
1 1 1 -9  25 7  o 46.04457 12.23124 12.63667       23.21054 44.32074      32.77335 -19.24656      32.87620 57.14902 18.58632 34.94012 15.90476 22.20890       24.46248 
1 1 1 -9  25 8  o 314.3084 4.767229 1334.780       40.29838 1296.302      55.38039 1378.082       58.74977 309.5246 6.644731 319.0921 6.837647 -9.567505      9.534457 
1 1 1 -9  25 9  o 157.2754 6.506654 340.3467       27.50645 360.7577      38.72426 319.5610       39.07816 162.1540 8.868948 152.3968 9.523021 9.757141       13.01331 
1 1 1 -9  25 10 o 32.60344 11.03567 -49.78614      27.90026 -30.81363     38.81715 -70.06313      40.12942 35.13876 16.44200 30.06811 14.72429 5.070654       22.07134 
1 1 1 -9  25 11 f 93.40186 21.33631 125.4521       52.48528 125.4521      52.48528 0.000000       0.000000 93.40186 21.33631 ?        ?        ?              ?        
1 1 1 -9  25 12 o 171.4303 12.89442 400.1244       59.52133 400.1244      59.52133 0.000000       0.000000 171.4303 12.89442 ?        ?        ?              ?        
1 1 1 -9  25 13 o 40.32893 18.73356 -22.61817      48.93525 -22.61817     48.93525 0.000000       0.000000 40.32893 18.73356 ?        ?        ?              ?        
1 1 1 -9  25 14 o 88.40652 13.82529 117.3190       32.07666 131.4623      46.18417 104.1384       44.58461 93.90497 18.91899 82.90807 20.16498 10.99689       27.65058 
1 1 1 -9  25 15 f 57.54814 15.01926 44.59132       30.69857 58.14181      46.47771 34.10498       40.88644 62.36309 22.10294 52.73318 20.34141 9.629906       30.03852 
1 1 1 -9  25 16 o 135.0376 8.681321 244.2103       30.26057 368.2940      48.32767 164.1859       38.81057 162.4751 11.04652 107.6000 13.39536 54.87515       17.36264 
1 1 1 -9  25 17 o 49.15136 14.07781 24.21864       29.20284 36.18431      42.24777 13.27052       40.41150 52.96114 20.60792 45.34158 19.18469 7.619553       28.15562 
1 1 1 -9  25 18 o 52.54249 14.28926 33.73923       29.75007 9.742264      40.94696 60.57004       43.29726 44.03289 18.98685 61.05209 21.35958 -17.01921      28.57852 
1 1 1 -9  25 19 o 48.03117 14.07538 21.85133       31.66394 48.31929      43.08157 -9.243566      46.69559 55.01996 20.96489 41.04238 18.78667 13.97758       28.15076 
1 1 1 -9  25 20 o 42.56577 13.47366 8.565776       31.74305 7.316792      43.82949 9.943593       46.03454 41.96071 18.79799 43.17082 19.30788 -1.210106      26.94733 
1 1 1 -9  25 21 o 35.17317 11.82329 -34.34249      31.37961 14.36468      45.58590 -78.20679      43.26032 42.02628 18.96942 28.32006 14.11815 13.70622       23.64659 
1 1 1 -9  27 1  o 108.3566 8.313437 166.1100       22.58900 172.3398      27.68653 153.7064       39.06678 112.0904 9.173114 104.6229 13.86748 7.467453       16.62687 
1 1 1 -9  27 2  o 61.10981 12.39660 57.13313       22.22111 70.76283      28.11605 34.45279       36.26904 69.51138 15.42461 52.70823 19.41094 16.80315       24.79321 
1 1 1 -9  27 3  o 42.72164 11.87990 11.58564       22.52755 34.58163      28.24962 -28.58034      37.33496 50.37686 17.27405 35.06642 16.31366 15.31044       23.75981 
1 1 1 -9  27 4  o 63.90852 13.12106 60.99026       23.24738 59.59865      28.94384 63.51992       39.02375 63.05693 16.75957 64.76011 20.19322 -1.703182      26.24212 
1 1 1 -9  27 5  o 120.3247 8.328829 207.1581       26.24595 237.5884      35.23560 169.2316       39.33689 131.1080 9.980885 109.5414 13.33640 21.56668       16.65766 
1 1 1 -9  27 6  o 129.3429 7.598586 234.8870       26.03086 267.2326      35.63832 197.8944       38.11250 139.4121 9.493656 119.2737 11.86695 20.13832       15.19717 
1 1 1 -9  27 7  o 157.3211 6.596462 338.5467       27.81159 331.1264      37.38108 347.7467       41.62305 155.5154 8.926781 159.1267 9.714208 -3.611282      13.19292 
1 1 1 -9  27 8  o 48.66516 13.27419 18.11047       25.56628 -2.776546     33.45572 47.42961       39.63764 38.80260 16.94275 58.52772 20.43918 -19.72512      26.54838 
1 1 1 -9  27 9  o 77.57646 12.21875 89.27843       24.96331 68.21992      33.38392 115.9881       37.59738 66.86836 18.09896 88.28456 16.42008 -21.41620      24.43750 
1 1 1 -9  27 10 o 102.1326 9.906702 149.4490       27.23146 143.7939      38.35808 155.1953       38.66597 100.0859 14.23314 104.1793 13.78364 -4.093491      19.81340 
1 1 1 -9  27 11 o 235.6328 5.833202 760.7972       36.94591 717.7487      50.48769 810.4264       54.20944 228.5071 8.205450 242.7585 8.293104 -14.25139      11.66640 
1 1 1 -9  27 12 o 78.55908 14.01369 95.98108       29.48845 94.51697      39.36462 97.85332       44.51455 78.27595 18.89222 78.84222 20.70309 -0.5662766     28.02738 
1 1 1 -9  27 13 o 131.7764 8.983994 256.1486       30.37073 332.3967      42.31778 175.1620       43.61289 154.0457 10.20210 109.5070 14.79073 44.53874       17.96799 
1 1 1 -9  27 14 o 80.97368 13.71388 104.8175       29.56133 87.37792      39.79560 126.2878       44.15557 73.12879 19.74701 88.81856 19.03518 -15.68977      27.42777 
1 1 1 -9  27 15 o 79.19266 13.23110 101.3090       27.50281 95.42487      36.10331 109.4449       42.45341 77.08530 17.75924 81.30002 19.61778 -4.214722      26.46220 
1 1 1 -9  27 16 o 54.52026 13.37325 45.10411       28.28360 79.30562      36.85595 -3.892912      44.11333 68.04583 19.25138 40.99469 18.56772 27.05114       26.74651 
1 1 1 -9  27 17 o 99.88123 12.38357 175.2571       30.51485 213.0388      39.94482 122.3086       47.28751 118.9988 12.46621 80.76363 21.40104 38.23518       24.76713 
1 1 1 -9  27 18 o 54.80437 14.88492 61.76638       31.19929 69.03828      42.08552 52.89390       46.48702 57.70684 20.96115 51.90189 21.13940 5.804947       29.76985 
1 1 1 -9  29 1  o 86.18416 10.58308 109.4025       22.65509 104.6383      27.71119 119.0047       39.34083 85.32391 12.06149 87.04440 17.39330 -1.720482      21.16616 
1 1 1 -9  29 2  o 75.79102 11.71243 83.53783       22.33182 69.38464      27.31965 112.0387       38.76835 67.16608 15.43022 84.41596 17.62477 -17.24989      23.42486 
1 1 1 -9  29 3  o 146.7797 6.588855 295.9591       25.35130 279.5699      31.99931 323.5859       41.54570 141.9350 8.372741 151.6244 10.17592 -9.689423      13.17771 
1 1 1 -9  29 4  o 71.41170 12.65018 81.33012       23.52544 83.20353      28.97498 77.70614       40.29948 74.00874 15.05225 68.81466 20.33562 5.194077       25.30035 
1 1 1 -9  29 5  o 170.9696 6.058003 411.9295       27.32970 443.7145      36.20528 369.8295       41.66795 179.3666 7.496298 162.5725 9.518567 16.79408       12.11601 
1 1 1 -9  29 6  o 102.2367 9.359351 153.2619       25.18555 161.8450      33.04647 141.3684       38.90083 106.5800 11.51505 97.89336 14.75782 8.686638       18.71870 
1 1 1 -9  29 7  o 59.08231 13.46601 54.00961       24.29933 44.05727      32.09557 67.37522       37.19436 53.78438 18.41268 64.38023 19.65468 -10.59585      26.93201 
1 1 1 -9  29 8  o 84.78290 11.65141 109.1411       25.37283 95.60281      33.01587 128.6713       39.65465 78.56274 16.14685 91.00305 16.80180 -12.44031      23.30282 
1 1 1 -9  29 9  o 56.79765 13.55413 51.32622       24.56487 51.81131      33.53578 50.76461       36.08395 56.99878 18.81416 56.59651 19.51627 0.4022675      27.10825 
1 1 1 -9  29 10 o 46.31835 12.99348 18.85784       24.52712 -0.4895993    31.19374 50.19017       39.69649 36.57267 16.15089 56.06403 20.35857 -19.49136      25.98697 
1 1 1 -9  29 11 o 69.20543 13.35292 80.79962       25.50286 78.15437      34.58828 83.95092       37.75201 68.29697 18.39613 70.11388 19.35935 -1.816902      26.70584 
1 1 1 -9  29 12 o 44.79926 13.29667 21.44316       27.01896 18.26020      36.67485 25.22130       39.95692 43.32093 18.30002 46.27757 19.29548 -2.956638      26.59335 
1 1 1 -9  29 13 o 41.48676 12.81034 7.718712       27.39602 -11.35635     36.46930 32.42526       41.50500 35.27467 16.31065 47.69885 19.75808 -12.42418      25.62067 
1 1 1 -9  29 14 o 36.61645 11.87696 -6.271060      27.59613 13.88587      36.34293 -33.71872      42.40923 40.04070 17.56629 33.19219 15.98982 6.848507       23.75393 
1 1 1 -9  29 15 o 58.97248 14.70381 72.91473       28.94213 70.79797      38.72791 75.59232       43.55707 58.72820 20.22049 59.21677 21.35276 -0.4885712     29.40763 
1 1 1 -9  31 1  o 47.17890 12.73005 39.83493       23.12579 48.31515      29.42300 26.12962       37.40486 51.16716 17.62433 43.19065 18.37388 7.976509       25.46010 
1 1 1 -9  31 2  o 73.64233 12.14630 93.53123       22.58624 85.89857      27.57365 109.0956       39.37516 71.63011 14.78614 75.65456 19.27435 -4.024445      24.29260 
1 1 1 -9  31 3  o 43.20790 12.17071 14.97073       22.82047 -13.68722     28.94322 62.06011       37.10101 30.39784 14.21538 56.01796 19.75926 -25.62012      24.34143 
1 1 1 -9  31 4  o 50.21552 13.04410 46.58389       23.21838 50.45327      29.33573 40.09553       37.98777 52.52842 17.60509 47.90261 19.25240 4.625813       26.08820 
1 1 1 -9  31 5  o 39.71119 12.00944 14.12042       24.50220 32.66880      30.76969 -18.02492      40.50691 44.70255 17.53353 34.71983 16.41591 9.982723       24.01888 
1 1 1 -9  31 6  o 81.47025 12.39469 115.6818       25.91725 103.4539      33.14557 134.9206       41.57562 77.12615 16.46148 85.81434 18.53463 -8.688187      24.78937 
1 1 1 -9  31 7  o 39.59566 12.17991 3.721924       24.05346 -18.91380     29.89147 45.30670       40.51513 29.77414 14.08498 49.41718 19.87498 -19.64303      24.35983 
1 1 1 -9  31 8  o 70.61229 13.00487 96.61922       25.43836 109.0321      33.07121 78.63309       39.80909 79.50336 16.00223 61.72123 20.50453 17.78213       26.00975 
1 1 1 -9  31 9  o 44.02352 12.96338 26.35448       25.32394 11.49364      32.76390 48.40659       39.91159 37.89081 16.64965 50.15623 19.87426 -12.26542      25.92677 
1 1 1 -8  0  1  o 1180.167 17.66146 18814.14       560.6653 18736.13      789.5624 18893.48       796.2812 1177.705 24.92331 1182.630 25.03073 -0.000000      0.000000 
1 1 1 -8  0  2  o 526.7430 7.965929 3742.367       112.8670 3731.187      159.2535 3753.650       159.9851 525.9523 11.25663 527.5338 11.27441 -0.000000      0.000000 
1 1 1 -8  0  3  o 33.92619 8.528193 20.39905       7.818227 29.54722      11.36624 12.18391       10.77104 42.98833 11.36553 24.86406 12.71790 -0.000000      0.000000 
1 1 1 -8  0  4  o 445.9382 6.754017 2681.551       81.00542 2655.716      113.4631 2708.409       115.6872 443.7485 9.505705 448.1278 9.597320 -0.000000      0.000000 
1 1 1 -8  0  5  o 1404.062 21.01182 26667.97       793.5470 26834.11      1129.060 26505.79       1115.552 1408.369 29.80274 1399.755 29.62741 -0.000000      0.000000 
1 1 1 -8  0  6  o 1399.676 20.94921 26496.14       788.7300 26382.25      1110.724 26611.99       1120.202 1396.651 29.56475 1402.701 29.68842 -0.000000      0.000000 
1 1 1 -8  0  7  o 678.1707 10.19355 6202.906       185.9151 6130.247      259.7564 6279.221       266.2095 674.1028 14.32517 682.2384 14.50599 -0.000000      0.000000 
1 1 1 -8  0  8  o 1619.033 24.21287 35412.09       1053.746 34654.90      1457.414 36241.52       1525.349 1600.971 33.84186 1637.095 34.63786 -0.000000      0.000000 
1 1 1 -8  0  9  o 908.0529 13.57121 11124.39       331.4669 11039.32      465.2252 11212.09       472.3867 904.5302 19.12031 911.5755 19.26458 -0.000000      0.000000 
1 1 1 -8  0  10 o 340.1045 5.243829 1559.160       47.95903 1534.005      66.92068 1585.721       68.76557 337.2841 7.376499 342.9248 7.455080 -0.000000      0.000000 
1 1 1 -8  0  11 o 566.1387 8.528424 4321.324       129.8364 4382.350      186.4011 4263.814       180.9530 570.0169 12.15692 562.2606 11.96434 -0.000000      0.000000 
1 1 1 -8  0  12 o 870.6702 13.03446 10228.13       305.2644 10268.97      433.7917 10188.07       429.6562 872.3889 18.48537 868.9515 18.38150 -0.000000      0.000000 
1 1 1 -8  0  13 o 241.0832 4.104662 782.8522       26.59169 747.6982      36.84560 821.0670       38.41620 235.4315 5.820198 246.7348 5.789500 -0.000000      0.000000 
1 1 1 -8  0  14 o 748.5485 11.25723 7563.668       226.6684 7551.978      320.4730 7575.371       320.6422 747.9679 15.92832 749.1291 15.91194 -0.000000      0.000000 
1 1 1 -8  0  15 o 211.6573 4.265753 607.7570       24.14399 550.6707      34.66270 661.5542       33.64936 201.8968 6.390519 221.4178 5.652244 -0.000000      0.000000 
1 1 1 -8  0  16 o 48.24153 11.99417 42.53010       14.21307 36.06351      24.13849 45.96187       17.58458 42.87445 19.40735 53.60860 14.09947 -0.000000      0.000000 
1 1 1 -8  0  17 o 368.4550 8.385645 1833.801       83.09904 0.000000      0.000000 1833.801       83.09904 368.4550 8.385645 368.4550 8.385645 -0.000000      0.000000 
1 1 1 -8  0  18 o 158.6154 6.487206 340.9034       27.60147 0.000000      0.000000 340.9034       27.60147 158.6154 6.487206 158.6154 6.487206 -0.000000      0.000000 
1 1 1 -8  0  19 o 255.0879 7.250921 879.6885       49.71323 0.000000      0.000000 879.6885       49.71323 255.0879 7.250921 255.0879 7.250921 -0.000000      0.000000 
1 1 1 -8  0  20 o 184.3629 7.616081 460.5725       37.66174 0.000000      0.000000 460.5725       37.66174 184.3629 7.616081 184.3629 7.616081 -0.000000      0.000000 
1 1 1 -8  0  21 o 244.1094 7.210779 805.2532       47.30333 0.000000      0.000000 805.2532       47.30333 244.1094 7.210779 244.1094 7.210779 -0.000000      0.000000 
1 1 1 -8  0  22 o 32.20505 19.50904 13.17645       31.25831 0.000000      0.000000 13.17645       31.25831 32.20505 19.50904 32.20505 19.50904 -0.000000      0.000000 
1 1 1 -8  0  23 o 252.3717 7.938408 861.0237       53.82492 0.000000      0.000000 861.0237       53.82492 252.3717 7.938408 252.3717 7.938408 -0.000000      0.000000 
1 1 1 -8  0  24 o 28.29003 18.46889 -3.562836      34.45116 0.000000      0.000000 -3.562836      34.45116 28.29003 18.46889 28.29003 18.46889 -0.000000      0.000000 
1 1 1 -8  0  25 o 28.13050 18.80641 -13.05185      39.27885 0.000000      0.000000 -13.05185      39.27885 28.13050 18.80641 28.13050 18.80641 -0.000000      0.000000 
1 1 1 -8  0  26 o 194.4620 11.52485 517.9840       59.86139 0.000000      0.000000 517.9840       59.86139 194.4620 11.52485 194.4620 11.52485 -0.000000      0.000000 
1 1 1 -8  0  27 o 22.78835 16.69491 -159.8514      65.78699 0.000000      0.000000 -159.8514      65.78699 22.78835 16.69491 22.78835 16.69491 -0.000000      0.000000 
1 1 1 -8  0  28 o 150.0889 15.78997 326.5160       62.19738 0.000000      0.000000 326.5160       62.19738 150.0889 15.78997 150.0889 15.78997 -0.000000      0.000000 
1 1 1 -8  0  29 o 182.9681 12.18811 466.7158       59.43608 0.000000      0.000000 466.7158       59.43608 182.9681 12.18811 182.9681 12.18811 -0.000000      0.000000 
1 1 1 -8  0  30 o 148.2797 14.11207 316.8840       55.17260 0.000000      0.000000 316.8840       55.17260 148.2797 14.11207 148.2797 14.11207 -0.000000      0.000000 
1 1 1 -8  0  31 o 29.77495 20.36791 -16.19201      51.58368 0.000000      0.000000 -16.19201      51.58368 29.77495 20.36791 29.77495 20.36791 -0.000000      0.000000 
1 1 1 -8  0  32 o 32.36449 21.34402 11.57314       47.79595 0.000000      0.000000 11.57314       47.79595 32.36449 21.34402 32.36449 21.34402 -0.000000      0.000000 
1 1 1 -8  2  1  o 619.0069 6.583533 5161.339       109.7331 5165.469      155.2572 5157.217       155.1151 619.2543 9.311064 618.7595 9.309980 0.4947510      13.16707 
1 1 1 -8  2  2  o 359.9349 3.927685 1744.589       38.06653 1748.885      53.87042 1740.304       53.79805 360.3775 5.551486 359.4923 5.557681 0.8852234      7.855369 
1 1 1 -8  2  3  o 376.5193 4.075428 1909.115       41.31825 1905.084      58.32513 1913.177       58.54113 376.1204 5.758978 376.9183 5.768070 -0.7978821     8.150856 
1 1 1 -8  2  4  f 660.7646 6.994979 5879.760       124.4091 5784.643      173.0917 5981.409       178.9360 655.2433 9.810478 666.2861 9.973639 -11.04279      13.98996 
1 1 1 -8  2  5  o 377.8065 4.084549 1919.762       41.51000 1973.691      60.36867 1871.397       57.16988 382.8317 5.856260 372.7814 5.695471 10.05026       8.169099 
1 1 1 -8  2  6  o 698.6127 10.46239 6575.828       196.8116 6575.828      196.8116 0.000000       0.000000 698.6127 10.46239 ?        ?        ?              ?        
1 1 1 -8  2  7  f 204.5322 2.478946 562.0530       13.63010 543.4651      18.64187 583.4037       19.97928 200.9067 3.445970 208.1576 3.564547 -7.250854      4.957893 
1 1 1 -8  2  8  o 105.1861 3.319525 148.9677       9.401942 148.9677      9.401942 0.000000       0.000000 105.1861 3.319525 ?        ?        ?              ?        
1 1 1 -8  2  9  o 644.9387 6.834623 5602.445       118.6890 5578.105      167.3211 5627.096       168.3872 643.5291 9.656041 646.3483 9.675182 -2.819214      13.66925 
1 1 1 -8  2  10 o 776.8986 8.209254 8130.439       171.7178 8187.284      244.7364 8075.319       240.9980 779.5710 11.65895 774.2263 11.56011 5.344727       16.41851 
1 1 1 -8  2  11 o 910.6699 9.620338 11176.53       235.8694 11284.10      337.0259 11073.27       330.2176 914.9579 13.67977 906.3818 13.53024 8.576050       19.24068 
1 1 1 -8  2  12 o 224.1685 2.772674 676.7234       16.71862 674.0371      24.17974 679.1840       23.14178 223.7418 4.013481 224.5953 3.826598 -0.8534698     5.545348 
1 1 1 -8  2  13 o 474.3979 5.114841 3031.031       65.33292 3036.159      92.94327 3026.023       91.85574 474.7937 7.269919 474.0022 7.196852 0.7914429      10.22968 
1 1 1 -8  2  14 o 570.4171 7.445813 4394.302       108.2043 4360.335      185.6943 4411.763       133.1440 568.6309 12.12788 572.2032 8.641479 -3.572266      14.89163 
1 1 1 -8  2  15 o 450.4525 6.001186 2723.847       68.35988 2772.060      119.8137 2700.577       83.23759 453.2728 9.816655 447.6323 6.905812 5.640564       12.00237 
1 1 1 -8  2  16 o 429.4214 5.750094 2498.344       63.26169 2455.893      107.0318 2521.137       78.42705 426.4512 9.320944 432.3916 6.736049 -5.940399      11.50019 
1 1 1 -8  2  17 f 280.1628 4.139272 1063.589       29.75839 1041.966      50.13513 1075.351       36.97673 277.8783 6.700452 282.4474 4.861918 -4.569061      8.278544 
1 1 1 -8  2  18 o 26.72517 8.525701 -14.03857      13.46287 -0.1853804    19.57180 -26.48058      18.54816 31.09219 13.26044 22.35815 10.71966 8.734043       17.05140 
1 1 1 -8  2  19 o 83.78592 7.755364 104.9545       15.48459 63.01997      23.52326 137.0197       20.56975 66.86784 13.52919 100.7040 7.585757 -33.83614      15.51073 
1 1 1 -8  2  20 o 346.7303 5.981400 1624.024       55.73233 1627.276      76.47942 1620.341       81.38384 347.1364 8.182030 346.3242 8.727141 0.8122253      11.96280 
1 1 1 -8  2  21 o 252.3058 5.376244 861.8656       36.11054 878.2571      47.86406 840.2098       55.01556 255.1481 6.966806 249.4635 8.190213 5.684677       10.75249 
1 1 1 -8  2  22 o 498.9474 7.918414 3363.539       106.2519 3318.127      146.2346 3414.323       154.6435 495.4272 10.96193 502.4677 11.42984 -7.040527      15.83683 
1 1 1 -8  2  23 o 287.6644 5.530278 1116.890       42.79890 1123.099      59.38330 1110.179       61.73896 288.5110 7.643962 286.8177 7.994107 1.693298       11.06056 
1 1 1 -8  2  24 o 466.6009 6.719996 2948.052       84.33429 2961.456      122.3392 2935.915       116.4146 467.5483 9.717531 465.6535 9.284556 1.894806       13.43999 
1 1 1 -8  2  25 o 263.8086 5.801050 942.2871       41.10303 941.3828      56.15408 943.3309       60.32694 263.7256 7.907616 263.8916 8.489896 -0.1659546     11.60210 
1 1 1 -8  2  26 o 268.9483 6.864330 972.2504       49.27700 903.0645      64.73049 1067.606       75.99291 257.8035 9.324739 280.0931 10.07598 -22.28964      13.72866 
1 1 1 -8  2  27 o 39.41213 13.43602 -112.3127      45.59047 -35.48484     59.85983 -218.4369      70.35311 45.80959 21.07960 33.01467 16.66604 12.79492       26.87204 
1 1 1 -8  2  28 o 56.49034 16.28656 16.28714       40.57898 -20.01180     52.82329 68.55138       63.38416 44.24962 20.14939 68.73106 25.59318 -24.48145      32.57313 
1 1 1 -8  2  29 o 45.33886 13.92104 2.082741       32.02601 18.12637      40.32547 -25.32107      52.70280 47.63454 19.57754 43.04318 19.79651 4.591354       27.84209 
1 1 1 -8  2  30 o 73.46776 13.76162 81.43849       33.20944 14.33139      45.19319 160.2098       48.96355 46.78516 20.05660 100.1504 18.84838 -53.36521      27.52324 
1 1 1 -8  2  31 f 43.92813 13.92618 7.189516       34.21294 19.44238      49.25315 -4.235445      47.56008 46.58896 20.44414 41.26730 18.91538 5.321659       27.85237 
1 1 1 -8  4  1  o 483.4009 5.190527 3146.814       67.56161 3156.533      95.73486 3137.171       95.35935 484.1444 7.343646 482.6573 7.337379 1.487091       10.38105 
1 1 1 -8  4  2  o 105.9040 2.311951 148.8304       6.544714 131.7709      8.659461 171.5566       9.994728 98.92847 3.250769 112.8795 3.288308 -13.95104      4.623902 
1 1 1 -8  4  3  o 676.1328 7.168461 6150.656       130.3837 5993.133      179.6938 6325.795       189.4757 667.0069 10.00505 685.2586 10.26870 -18.25171      14.33692 
1 1 1 -8  4  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  5  f 448.0898 6.786193 2703.917       81.87941 0.000000      0.000000 2703.917       81.87941 ?        ?        448.0898 6.786193 ?              ?        
1 1 1 -8  4  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  7  o 416.4275 4.465081 2333.921       50.04634 2375.100      72.03510 2295.499       69.58109 419.9757 6.369959 412.8793 6.258708 7.096405       8.930162 
1 1 1 -8  4  8  f 894.4420 9.450293 10780.49       227.6045 10782.65      321.8830 10778.33       321.8798 894.5316 13.36346 894.3525 13.36600 0.1791382      18.90059 
1 1 1 -8  4  9  o 871.3209 9.231935 10227.52       216.5584 10337.19      309.8183 10122.76       302.8211 875.8826 13.13645 866.7592 12.97491 9.123474       18.46387 
1 1 1 -8  4  10 o 1111.538 11.75044 16660.07       351.6884 16614.29      496.1100 16706.32       498.6245 1110.005 16.59854 1113.071 16.63671 -3.065918      23.50089 
1 1 1 -8  4  11 o 338.3980 4.631871 1576.880       40.83727 1387.477      64.31786 1704.807       52.85894 320.9783 7.441707 355.8177 5.517057 -34.83948      9.263742 
1 1 1 -8  4  12 o 101.5767 3.718079 130.4811       9.058481 157.6870      18.08844 121.3743       10.46534 108.2103 6.207965 94.94317 4.093607 13.26711       7.436158 
1 1 1 -8  4  13 o 833.0347 10.25747 9353.912       201.6994 9371.034      396.0626 9347.918       234.3675 833.1932 17.65366 832.8760 10.45042 0.3171997      20.51494 
1 1 1 -8  4  14 o 385.2188 5.042270 1984.384       47.31667 2034.520      88.86330 1964.544       55.90004 388.5288 8.494071 381.9087 5.435871 6.620087       10.08454 
1 1 1 -8  4  15 o 512.3439 6.531634 3479.178       78.83875 3675.824      157.2714 3413.177       91.11372 521.5284 11.19923 503.1595 6.725038 18.36890       13.06327 
1 1 1 -8  4  16 f 57.53274 7.613035 47.75022       11.08586 37.22000      17.53227 54.76504       14.30961 51.38643 12.73528 63.67905 8.345412 -12.29263      15.22607 
1 1 1 -8  4  17 o 35.60868 7.947688 0.9064428      12.78625 37.51245      17.28596 -43.32066      19.00035 51.54010 12.56853 19.67725 9.731134 31.86285       15.89538 
1 1 1 -8  4  18 o 224.1500 4.364863 678.1953       26.31438 682.3083      36.41288 673.6991       38.07077 224.8747 6.013553 223.4254 6.328136 1.449310       8.729726 
1 1 1 -8  4  19 o 223.4302 6.143466 673.4178       36.96058 673.4178      36.96058 0.000000       0.000000 223.4302 6.143466 ?        ?        ?              ?        
1 1 1 -8  4  20 o 542.1398 9.505365 3972.274       138.7598 0.000000      0.000000 3972.274       138.7598 ?        ?        542.1398 9.505365 ?              ?        
1 1 1 -8  4  21 o 96.92842 7.904725 117.6034       19.74755 95.76553      24.04202 162.8885       34.62137 84.15516 10.60979 109.7017 11.72054 -25.54652      15.80945 
1 1 1 -8  4  22 o 323.9517 9.289403 1386.065       60.34689 1368.895      65.91562 1474.995       150.0127 318.5401 7.684946 329.3633 16.91489 -10.82321      18.57881 
1 1 1 -8  4  23 o 229.6878 10.79200 699.0087       40.26645 694.3198      42.42170 741.6688       127.9558 226.8462 6.945017 232.5294 20.43614 -5.683273      21.58400 
1 1 1 -8  4  24 o 206.6906 11.71659 486.7142       36.29547 468.7545      37.66619 720.0854       135.7770 186.2060 7.512332 227.1752 22.19637 -40.96919      23.43318 
1 1 1 -8  4  25 o 155.4165 18.04207 332.3999       36.93682 329.9374      38.25193 366.3766       142.0876 156.0151 9.105491 154.8179 34.91640 1.197220       36.08413 
1 1 1 -8  4  26 o 207.4223 18.59909 623.7279       55.31819 623.4691      57.92431 626.4115       186.5207 214.0717 10.04889 200.7728 35.81515 13.29898       37.19818 
1 1 1 -8  4  27 f 158.5589 40.54433 390.2274       203.0624 289.0573      458.2800 414.9431       226.5123 155.4454 65.12386 161.6723 48.31410 -6.226944      81.08865 
1 1 1 -8  4  28 o 126.5077 24.70750 179.5582       47.57828 164.4500      48.91084 445.5489       205.2256 107.3011 16.92846 145.7142 46.42488 -38.41301      49.41500 
1 1 1 -8  4  29 o 122.4914 21.39128 305.6498       44.52886 312.2041      45.76031 188.7643       193.2435 149.3512 11.37881 95.63164 41.24160 53.71957       42.78255 
1 1 1 -8  4  30 o 51.95206 17.90769 -17.87390      42.64730 -20.46724     44.51745 11.06117       148.7006 38.76997 17.95986 65.13415 30.98684 -26.36417      35.81537 
1 1 1 -8  4  31 o 44.38536 15.38654 -28.17884      47.73581 -20.55719     51.66310 -72.66899      124.8211 39.35432 18.58628 49.41639 24.52617 -10.06207      30.77308 
1 1 1 -8  6  1  o 1034.059 13.36472 14513.37       354.4277 14729.58      440.5547 14116.68       596.7318 1045.333 15.65171 1022.784 21.66764 22.54858       26.72944 
1 1 1 -8  6  2  o 515.0062 6.773555 3586.051       88.85262 3614.492      109.4124 3530.965       152.2664 518.0569 7.843426 511.9555 11.04558 6.101410       13.54711 
1 1 1 -8  6  3  o 527.3850 5.632483 3740.378       79.89820 3857.076      116.3274 3636.164       109.9300 535.1586 8.072653 519.6115 7.856953 15.54706       11.26497 
1 1 1 -8  6  4  o 321.5645 3.535607 1392.299       30.61292 1396.440      43.47182 1388.225       43.11679 322.0387 5.013215 321.0903 4.986959 0.9483948      7.071215 
1 1 1 -8  6  5  o 319.0059 3.528869 1370.282       30.31155 1359.530      42.86000 1381.042       42.87402 317.7538 5.009313 320.2581 4.971767 -2.504303      7.057739 
1 1 1 -8  6  6  o 368.4757 4.011416 1826.945       39.76746 1859.406      57.62444 1797.427       54.95018 371.5976 5.759044 365.3538 5.585629 6.243805       8.022833 
1 1 1 -8  6  7  o 434.6933 5.772058 2524.597       62.79125 2599.462      112.5920 2490.802       75.64751 439.3081 9.518203 430.0785 6.532260 9.229553       11.54412 
1 1 1 -8  6  8  o 557.7917 7.306011 4177.281       102.8551 4230.344      180.7588 4151.874       125.0785 560.3537 11.97992 555.2297 8.366170 5.123962       14.61202 
1 1 1 -8  6  9  o 320.8381 4.451810 1395.171       36.39360 1358.315      62.13881 1414.414       44.90040 317.5788 7.266546 324.0973 5.145071 -6.518524      8.903620 
1 1 1 -8  6  10 o 351.9701 4.725942 1651.080       39.54127 1704.800      77.39393 1632.104       45.99776 355.7863 8.078567 348.1538 4.906617 7.632477       9.451884 
1 1 1 -8  6  11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  6  12 o 491.2884 7.517276 3251.977       99.39964 3272.844      142.9340 3232.436       138.3239 492.8081 10.77146 489.7686 10.48873 3.039520       15.03455 
1 1 1 -8  6  13 o 133.0153 4.098407 236.4188       13.83382 243.9460      24.16292 232.7484       16.87280 134.5682 6.668430 131.4624 4.766530 3.105850       8.196815 
1 1 1 -8  6  14 o 490.5948 6.695404 3214.399       83.86848 3352.971      145.0044 3144.739       102.8098 498.2845 10.80738 482.9050 7.906594 15.37958       13.39081 
1 1 1 -8  6  15 o 136.9023 6.224884 252.6961       22.94697 252.6961      22.94697 0.000000       0.000000 136.9023 6.224884 ?        ?        ?              ?        
1 1 1 -8  6  16 o 246.5448 6.199545 819.9611       41.15656 819.9611      41.15656 0.000000       0.000000 246.5448 6.199545 ?        ?        ?              ?        
1 1 1 -8  6  17 o 340.5769 5.050855 1558.958       45.39706 1607.295      72.22049 1527.383       58.37070 344.8092 7.778542 336.3446 6.445062 8.464630       10.10171 
1 1 1 -8  6  18 o 39.74665 9.887339 17.89093       13.73969 27.52957      18.80130 6.843760       20.12822 45.04745 14.01141 34.44584 13.95415 10.60162       19.77468 
1 1 1 -8  6  19 o 150.8843 4.647823 308.4321       18.80431 331.2217      26.13979 283.9893       27.07130 156.7026 6.195015 145.0660 6.930427 11.63658       9.295646 
1 1 1 -8  6  20 o 57.42060 9.374876 49.00042       16.38684 79.41953      21.59007 7.662879       25.16826 76.62676 10.46382 38.21444 15.55833 38.41233       18.74975 
1 1 1 -8  6  21 o 320.7635 5.061294 1384.848       43.55969 1420.223      64.72330 1355.558       58.89393 324.4800 7.407801 317.0469 6.898642 7.433105       10.12259 
1 1 1 -8  6  22 o 275.3914 4.981751 1021.980       36.92281 1052.193      53.26503 994.0329       51.22801 279.3033 7.082436 271.4795 7.007888 7.823853       9.963503 
1 1 1 -8  6  23 o 151.6890 5.958477 312.7440       23.82305 319.2371      30.87386 303.1888       37.45306 153.7176 7.459058 149.6603 9.293883 4.057266       11.91695 
1 1 1 -8  6  24 o 44.76110 15.45705 -44.24201      26.89850 -45.69944     27.99523 -26.72659      97.05085 26.40132 12.78506 63.12089 28.14648 -36.71957      30.91410 
1 1 1 -8  6  25 o 207.0903 13.17942 588.5147       43.60340 586.8565      45.92183 603.7040       138.9857 208.1535 8.193172 206.0271 25.05316 2.126450       26.35884 
1 1 1 -8  6  26 o 286.8410 13.56354 1209.424       68.53370 1228.732      73.60229 1083.548       187.9317 300.5977 9.093316 273.0843 25.55759 27.51343       27.12709 
1 1 1 -8  6  27 o 300.0388 18.44600 1405.781       90.62726 1447.517      96.71636 1105.293       259.5150 326.3708 11.00539 273.7069 35.21223 52.66394       36.89200 
1 1 1 -8  6  28 o 135.5106 21.28863 410.4214       50.15443 426.4149      52.03746 201.3521       188.1437 174.6205 11.06719 96.40077 41.11375 78.21973       42.57727 
1 1 1 -8  6  29 o 104.2403 21.31083 165.2443       43.44730 154.3916      45.44103 280.8417       148.3047 101.7293 16.58895 106.7514 39.26083 -5.022171      42.62166 
1 1 1 -8  6  30 o 82.03888 20.65710 93.24062       41.96303 66.97396      44.96484 270.4952       116.8071 62.11127 21.76494 101.9665 35.11624 -39.85522      41.31420 
1 1 1 -8  6  31 o 68.63752 19.15971 113.1635       47.23352 84.64679      55.03057 192.9530       92.05083 60.75898 23.55376 76.51606 30.22579 -15.75708      38.31942 
1 1 1 -8  8  1  o 1169.735 17.53494 18482.98       552.2941 18518.24      783.1965 18448.10       778.9444 1170.838 24.84223 1168.632 24.75399 2.205688       35.06988 
1 1 1 -8  8  2  o 896.0962 11.74040 10663.58       261.8530 10405.09      313.2770 11262.86       477.0015 878.6333 13.24151 913.5590 19.39098 -34.92572      23.48079 
1 1 1 -8  8  3  o 331.8619 7.689297 1483.292       68.71119 1483.292      68.71119 0.000000       0.000000 331.8619 7.689297 ?        ?        ?              ?        
1 1 1 -8  8  4  o 322.5841 4.524523 1408.682       36.66202 1380.894      64.49232 1421.950       44.56287 320.2068 7.479869 324.9613 5.092817 -4.754517      9.049046 
1 1 1 -8  8  5  o 88.42216 4.676688 97.79929       8.654403 117.4909      20.98216 93.76243       9.500170 93.39677 8.343245 83.44757 4.227993 9.949196       9.353376 
1 1 1 -8  8  6  o 260.6931 3.752384 916.3397       22.66231 912.7938      45.72359 917.4945       26.09273 260.3466 6.522363 261.0396 3.712187 -0.6929321     7.504768 
1 1 1 -8  8  7  o 205.5667 3.632320 571.7193       19.40107 558.5625      31.75616 579.5544       24.50628 203.6668 5.790610 207.4666 4.386780 -3.799728      7.264641 
1 1 1 -8  8  8  o 275.6831 4.142912 1021.914       29.53213 1028.751      49.26865 1018.081       36.89478 276.3951 6.619985 274.9712 4.983040 1.423920       8.285824 
1 1 1 -8  8  9  o 248.8120 3.978533 832.2330       25.88444 839.5199      42.04396 827.7852       32.84750 249.6819 6.253644 247.9420 4.920043 1.739899       7.957066 
1 1 1 -8  8  10 o 149.5077 3.903457 296.7437       15.45601 323.8294      24.57614 279.0212       19.87953 155.0694 5.885784 143.9461 5.128884 11.12331       7.806914 
1 1 1 -8  8  11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  12 o 288.8390 4.150725 1119.801       31.78529 1146.459      49.75849 1101.424       41.31285 291.7197 6.334582 285.9582 5.365366 5.761536       8.301450 
1 1 1 -8  8  13 f 446.7164 5.384339 2694.340       64.49191 2655.171      95.33099 2727.393       87.57278 443.6828 7.979545 449.7499 7.231271 -6.067108      10.76868 
1 1 1 -8  8  14 o 590.7165 7.903265 4748.274       120.2805 4622.800      200.4878 4818.831       150.3421 584.1624 12.74591 597.2706 9.348162 -13.10815      15.80653 
1 1 1 -8  8  15 o 365.8937 5.333987 1796.390       49.99369 1843.841      85.52331 1771.759       61.61800 369.3853 8.598476 362.4022 6.314419 6.983063       10.66797 
1 1 1 -8  8  16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  17 o 59.62913 8.705020 49.62672       13.04050 48.27282      22.53114 50.30870       15.99108 58.32756 14.42606 60.93069 9.746714 -2.603130      17.41004 
1 1 1 -8  8  18 o 494.8285 8.177748 3307.876       108.9612 0.000000      0.000000 3307.876       108.9612 ?        ?        494.8285 8.177748 ?              ?        
1 1 1 -8  8  19 f 269.7455 4.500219 983.1776       32.44172 965.3737      48.72857 997.3514       43.47809 267.5182 6.764674 271.9729 5.936924 -4.454681      9.000438 
1 1 1 -8  8  20 o 212.6651 4.412360 609.9569       25.24648 579.4572      35.58305 640.8745       35.82603 207.3035 6.374603 218.0267 6.102468 -10.72325      8.824720 
1 1 1 -8  8  21 o 244.5067 6.653029 806.1306       43.80196 806.1306      43.80196 0.000000       0.000000 244.5067 6.653029 ?        ?        ?              ?        
1 1 1 -8  8  22 o 85.53487 8.493448 98.95213       19.54137 94.52220      26.90656 103.8970       28.42744 83.51527 11.96490 87.55447 12.05802 -4.039200      16.98690 
1 1 1 -8  8  23 o 198.4968 5.210890 529.5942       27.64160 509.7818      36.61384 555.8517       42.15051 194.2421 7.000330 202.7515 7.720679 -8.509354      10.42178 
1 1 1 -8  8  24 o 238.0711 5.345986 763.8841       34.13766 736.4617      45.96876 797.6035       50.97418 233.3610 7.315619 242.7812 7.797435 -9.420212      10.69197 
1 1 1 -8  8  25 o 212.1651 6.784585 617.5794       38.00987 643.9816      49.77754 580.6553       58.86653 217.8773 8.484731 206.4528 10.58922 11.42445       13.56917 
1 1 1 -8  8  26 o 57.44527 18.89639 -19.50061      51.27191 -0.1073692    54.34396 -176.6278      154.6863 50.70151 21.86787 64.18903 30.82354 -13.48752      37.79279 
1 1 1 -8  8  27 o 67.87672 21.26959 -6.394047      47.64038 -25.83318     50.31506 162.0005       148.0892 42.05196 19.34145 93.70148 37.88787 -51.64952      42.53919 
1 1 1 -8  8  28 o 74.93910 20.89781 52.06828       41.58386 37.31781      44.00090 175.3723       127.2175 54.91795 21.12482 94.96025 36.06404 -40.04230      41.79562 
1 1 1 -8  8  29 o 119.1455 17.93131 262.7768       42.91183 269.5272      46.88975 227.9794       106.4597 136.5468 12.75302 101.7442 33.51848 34.80255       35.86263 
1 1 1 -8  8  30 o 49.77448 16.01493 20.02114       33.98373 19.67480      36.09516 22.72436       100.8413 43.46683 18.24697 56.08212 26.32415 -12.61529      32.02987 
1 1 1 -8  8  31 f 53.48306 15.00387 60.20737       31.54382 65.42667      34.34341 32.05305       79.76454 57.75896 19.03812 49.20716 23.19514 8.551807       30.00774 
1 1 1 -8  10 1  o 649.8199 9.896403 5691.387       173.1211 5602.929      241.6258 5784.698       248.1655 644.6385 13.92014 655.0013 14.07071 -10.36285      19.79281 
1 1 1 -8  10 2  o 736.1052 9.688547 7240.422       178.7515 7478.398      319.8112 7132.300       215.5668 744.6611 15.94966 727.5493 11.00363 17.11182       19.37709 
1 1 1 -8  10 3  o 1025.355 10.91612 14131.82       300.5621 14755.40      445.1806 13609.49       407.4404 1046.037 15.80541 1004.673 15.06107 41.36395       21.83224 
1 1 1 -8  10 4  o 494.9550 6.604298 3305.448       82.80101 3284.362      143.8084 3315.905       101.2721 493.7248 10.81723 496.1853 7.579882 -2.460510      13.20860 
1 1 1 -8  10 5  o 157.3722 3.896508 326.5675       14.42869 347.7697      28.90205 319.5292       16.65225 160.6964 6.679425 154.0479 4.014520 6.648499       7.793015 
1 1 1 -8  10 6  o 311.9341 3.801905 1311.690       31.89385 1274.285      45.84562 1346.772       44.39860 307.6181 5.534808 316.2502 5.213810 -8.632050      7.603809 
1 1 1 -8  10 7  o 335.0726 3.993992 1512.008       35.96989 1510.897      52.46527 1512.994       49.41029 334.9540 5.817058 335.1913 5.474461 -0.2373047     7.987983 
1 1 1 -8  10 8  o 35.36254 8.787291 11.40207       10.62982 24.81703      17.26444 3.211587       13.49002 43.09607 13.43017 27.62902 11.33562 15.46705       17.57458 
1 1 1 -8  10 9  o 238.0113 3.428558 764.7207       21.86650 742.6508      32.29913 783.3950       29.71060 234.8300 5.108035 241.1926 4.574717 -6.362579      6.857117 
1 1 1 -8  10 10 o 85.35711 5.320490 100.9887       11.87983 81.46162      17.87069 116.4511       15.90229 77.74114 8.537034 92.97308 6.352126 -15.23193      10.64098 
1 1 1 -8  10 11 o 566.1301 6.264394 4322.125       95.47902 4223.077      133.7650 4425.003       136.3269 559.5175 8.878618 572.7429 8.839722 -13.22540      12.52879 
1 1 1 -8  10 12 o 206.8618 5.550626 576.6832       30.91760 576.6832      30.91760 0.000000       0.000000 206.8618 5.550626 ?        ?        ?              ?        
1 1 1 -8  10 13 o 344.1180 4.417960 1598.591       40.76173 1582.135      60.34020 1612.404       55.28282 342.4569 6.543610 345.7791 5.937562 -3.322144      8.835919 
1 1 1 -8  10 14 o 83.22438 8.056973 101.0671       14.88342 83.90190      28.86770 107.2818       17.37003 77.30746 14.39757 89.14129 7.236660 -11.83382      16.11395 
1 1 1 -8  10 15 o 115.8373 5.831316 173.3605       15.22501 196.4978      32.93058 167.0702       17.17032 120.3988 10.15766 111.2758 5.730525 9.123055       11.66263 
1 1 1 -8  10 16 o 152.3136 4.881851 341.9377       17.68915 247.3375      31.13229 387.0396       21.49623 135.2039 8.551423 169.4232 4.712009 -34.21925      9.763701 
1 1 1 -8  10 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 18 o 82.50602 8.310228 100.5580       15.52729 78.96884      28.76892 109.4320       18.44443 74.96545 14.77744 90.04659 7.607019 -15.08115      16.62046 
1 1 1 -8  10 19 o 319.9711 4.700069 1386.969       40.16828 1326.325      60.00716 1436.205       54.06885 313.5665 7.107062 326.3756 6.152420 -12.80917      9.400138 
1 1 1 -8  10 20 o 512.2028 6.246951 3534.067       85.59533 3606.400      129.2014 3477.486       114.2694 516.7919 9.284704 507.6137 8.360134 9.178253       12.49390 
1 1 1 -8  10 21 o 133.0503 8.700120 239.0303       31.16912 239.0303      31.16912 0.000000       0.000000 133.0503 8.700120 ?        ?        ?              ?        
1 1 1 -8  10 22 o 254.7475 4.718610 874.8543       32.24909 892.2221      47.89771 860.4525       43.61653 257.0285 6.920701 252.4664 6.415998 4.562164       9.437220 
1 1 1 -8  10 23 o 114.3675 7.179755 176.1894       21.98892 164.5047      29.28613 191.2888       33.29159 110.0830 9.880035 118.6521 10.42019 -8.569122      14.35951 
1 1 1 -8  10 24 o 51.24269 13.89385 24.61755       26.55431 17.25062      34.42810 35.43606       41.72091 46.49965 18.44806 55.98574 20.78042 -9.486092      27.78771 
1 1 1 -8  10 25 o 90.78741 14.22961 125.3726       33.05887 120.4061      41.81441 133.6523       53.98947 89.43370 17.98700 92.14111 22.05436 -2.707413      28.45921 
1 1 1 -8  10 26 o 43.52126 14.19351 -72.43548      43.73779 4.257250      56.94128 -182.8026      68.30775 52.52031 22.51409 34.52220 17.28985 17.99810       28.38702 
1 1 1 -8  10 27 o 64.29203 14.62344 47.01600       31.96753 4.126121      40.59323 117.0449       51.86981 43.58850 18.84966 84.99555 22.36224 -41.40705      29.24687 
1 1 1 -8  10 28 o 84.45868 16.93079 133.0465       37.98846 143.2232      40.92967 69.77464       102.0561 98.57668 15.41987 70.34068 30.14688 28.23601       33.86158 
1 1 1 -8  10 29 o 52.76840 15.93790 33.03824       37.82901 47.00660      41.24524 -40.95877      94.93102 54.72908 20.59277 50.80772 24.33113 3.921352       31.87579 
1 1 1 -8  10 30 o 55.21337 15.83688 62.64538       42.18030 90.78123      48.88675 -19.31896      83.43988 64.78606 22.69474 45.64069 22.09470 19.14537       31.67376 
1 1 1 -8  12 1  o 191.5394 2.651177 490.4456       13.59130 525.9996      20.62338 463.1488       18.07060 197.6290 3.875484 185.4499 3.618783 12.17911       5.302354 
1 1 1 -8  12 2  o 354.4579 4.016788 1692.296       38.32901 1699.796      54.84934 1685.137       53.58362 355.2236 5.734377 353.6923 5.626303 1.531342       8.033577 
1 1 1 -8  12 3  o 388.0530 4.328807 2028.269       45.22886 2001.370      63.56458 2055.853       64.36952 385.4473 6.124446 390.6587 6.119267 -5.211426      8.657614 
1 1 1 -8  12 4  o 246.4971 3.175331 817.0716       21.01745 833.9301      31.03234 802.7854       28.56683 248.8403 4.631381 244.1539 4.345252 4.686371       6.350661 
1 1 1 -8  12 5  o 130.4143 3.362591 226.8672       11.56170 239.5721      18.54332 218.7870       14.78807 133.3688 5.163567 127.4598 4.308786 5.908974       6.725181 
1 1 1 -8  12 6  o 53.92891 7.461809 38.71767       9.997329 46.94544      17.41624 34.67428       12.20915 57.96473 11.56391 49.89310 9.433471 8.071629       14.92362 
1 1 1 -8  12 7  o 647.7015 6.973910 5659.141       121.6205 5666.434      173.0306 5652.019       170.9825 648.1072 9.915000 647.2958 9.809917 0.8114014      13.94782 
1 1 1 -8  12 8  o 323.7312 3.920595 1411.017       34.15266 1339.576      47.63553 1486.583       48.99132 315.3027 5.610737 332.1597 5.477582 -16.85699      7.841191 
1 1 1 -8  12 9  o 579.7195 6.313843 4530.091       98.48428 4390.734      136.0784 4683.370       142.7141 570.3801 8.860155 589.0588 8.997561 -18.67865      12.62769 
1 1 1 -8  12 10 o 213.9810 3.523488 618.3405       20.25173 592.7792      29.29855 641.7269       28.02446 209.7291 5.188047 218.2328 4.769071 -8.503693      7.046976 
1 1 1 -8  12 11 o 366.4224 4.440986 1811.943       43.79293 1781.283      62.65227 1841.234       61.23709 363.3763 6.403196 369.4686 6.155363 -6.092255      8.881971 
1 1 1 -8  12 12 o 327.6935 4.197930 1447.581       36.93972 1459.478      54.39241 1437.396       50.32559 328.9213 6.141337 326.4658 5.724898 2.455444       8.395861 
1 1 1 -8  12 13 o 35.01063 10.15706 2.902471       15.58372 14.89125      23.59743 -6.370222      20.75297 40.22642 15.47096 29.79483 13.16483 10.43159       20.31412 
1 1 1 -8  12 14 o 224.7305 6.500751 681.7327       39.33770 681.7327      39.33770 0.000000       0.000000 224.7305 6.500751 ?        ?        ?              ?        
1 1 1 -8  12 15 o 254.9562 4.227189 878.1551       28.35636 870.7272      45.09139 883.0142       36.47049 254.0094 6.592656 255.9030 5.292768 -1.893570      8.454378 
1 1 1 -8  12 16 o 146.1958 5.518317 304.2300       18.94703 255.9395      35.73933 323.1080       22.34564 137.5789 9.647417 154.8127 5.360470 -17.23373      11.03663 
1 1 1 -8  12 17 o 48.63596 11.50844 13.99972       16.25101 61.81919      35.77573 1.567348       18.24161 66.45914 19.02469 30.81278 12.95522 35.64636       23.01687 
1 1 1 -8  12 18 o 269.1315 4.624675 967.4872       31.87414 1006.260      54.73246 947.5890       39.20900 273.1114 7.442549 265.1517 5.491715 7.959747       9.249350 
1 1 1 -8  12 19 o 229.5826 4.789436 709.5596       27.63979 714.1104      48.87190 707.4194       33.51455 230.0577 7.889311 229.1075 5.432639 0.9502563      9.578872 
1 1 1 -8  12 20 o 209.2344 4.935865 590.5338       26.36211 590.5792      45.14676 590.5103       32.47322 209.1767 8.015488 209.2922 5.762208 -0.1155396     9.871731 
1 1 1 -8  12 21 o 231.4639 7.010887 723.6088       43.69579 723.6088      43.69579 0.000000       0.000000 231.4639 7.010887 ?        ?        ?              ?        
1 1 1 -8  12 22 o 84.79948 9.023811 98.20798       20.47864 97.55052      30.63980 98.73878       27.53128 84.47726 13.46985 85.12170 12.01165 -0.6444473     18.04762 
1 1 1 -8  12 23 o 25.00012 8.816270 -90.54652      24.20400 -67.87432     32.48574 -118.8371      36.28833 26.33129 12.96478 23.66895 11.95077 2.662336       17.63254 
1 1 1 -8  12 24 o 44.82500 13.51361 -2.868514      29.42398 -22.34074     40.11194 19.81521       43.29354 38.56694 17.56046 51.08307 20.54510 -12.51613      27.02722 
1 1 1 -8  12 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 26 o 144.2147 8.936380 299.6605       33.35745 328.0946      43.12292 257.2979       52.63558 153.9091 10.40544 134.5203 14.53142 19.38876       17.87276 
1 1 1 -8  12 27 o 58.68085 15.13790 47.82022       29.98367 45.57615      36.97187 52.13197       51.24840 56.28600 19.73520 61.07570 22.95965 -4.789696      30.27579 
1 1 1 -8  12 28 o 78.01640 13.64891 104.2534       31.56818 144.9779      42.35384 53.35146       47.35130 97.67062 16.10443 58.36216 22.04129 39.30846       27.29782 
1 1 1 -8  12 29 o 46.56565 13.82069 10.67856       33.10489 64.81770      47.15555 -41.93497      46.48639 58.44695 22.01353 34.68436 16.71677 23.76258       27.64138 
1 1 1 -8  14 1  o 157.2763 2.707208 333.1771       11.45696 330.9775      15.88646 335.5609       16.53838 156.7375 3.764185 157.8152 3.891891 -1.077759      5.414416 
1 1 1 -8  14 2  o 277.6262 3.409581 1037.746       25.46479 1061.680      36.97171 1016.144       35.12457 280.6645 4.892138 274.5880 4.750574 6.076477       6.819162 
1 1 1 -8  14 3  o 628.1193 6.781107 5329.163       114.6441 5230.825      159.4105 5434.513       164.9964 622.1393 9.515814 634.0992 9.663486 -11.95996      13.56221 
1 1 1 -8  14 4  o 394.8640 4.458546 2100.690       47.37947 2046.467      65.69771 2159.453       68.39292 389.5636 6.263087 400.1644 6.347304 -10.60080      8.917091 
1 1 1 -8  14 5  f 599.5330 6.485143 4856.174       104.6907 4824.063      147.5251 4888.750       148.5905 597.5371 9.168910 601.5289 9.173842 -3.991760      12.97029 
1 1 1 -8  14 6  o 785.4930 8.429669 8342.615       177.9832 8645.586      261.1144 8079.689       243.2469 798.6920 12.14138 772.2940 11.69719 26.39795       16.85934 
1 1 1 -8  14 7  o 285.3026 3.661130 1095.270       28.01065 1119.202      41.73473 1075.653       37.78517 288.1184 5.379516 282.4867 4.967525 5.631775       7.322260 
1 1 1 -8  14 8  o 346.6709 4.125554 1619.982       38.45731 1635.322      55.99926 1606.290       52.90615 348.2093 5.972534 345.1325 5.692944 3.076752       8.251107 
1 1 1 -8  14 9  o 174.5078 5.443054 410.6470       25.57648 410.6470      25.57648 0.000000       0.000000 174.5078 5.443054 ?        ?        ?              ?        
1 1 1 -8  14 10 o 209.8108 3.568562 595.5264       20.09234 562.0908      29.09209 626.0201       27.78282 204.1451 5.292400 215.4766 4.788426 -11.33153      7.137123 
1 1 1 -8  14 11 o 329.8729 4.140614 1468.636       36.76402 1449.802      52.52945 1486.718       51.47105 327.7876 5.951507 331.9582 5.758326 -4.170654      8.281228 
1 1 1 -8  14 12 o 434.1605 5.041938 2542.043       58.83112 2614.284      86.35699 2479.478       80.36528 439.8730 7.290997 428.4481 6.966054 11.42487       10.08388 
1 1 1 -8  14 13 o 119.9740 5.471507 193.1080       17.60786 209.6144      26.35041 179.7917       23.66762 124.5689 7.855873 115.3791 7.618058 9.189827       10.94301 
1 1 1 -8  14 14 o 429.5718 5.141849 2490.824       59.44430 2491.381      85.46638 2490.301       82.73404 429.6004 7.388346 429.5431 7.153096 0.5731201E-01  10.28370 
1 1 1 -8  14 15 o 190.8722 4.583925 494.6452       23.24740 469.4667      35.38845 513.7596       30.83374 186.5402 7.045401 195.2041 5.866159 -8.663895      9.167850 
1 1 1 -8  14 16 o 197.1747 4.762709 534.1278       24.41475 484.0868      39.03432 566.2844       31.29096 189.3951 7.654109 204.9543 5.669940 -15.55928      9.525418 
1 1 1 -8  14 17 f 156.5583 5.944073 358.3810       22.50786 261.4524      38.63510 408.1793       27.69256 139.1006 10.31501 174.0159 5.910045 -34.91530      11.88815 
1 1 1 -8  14 18 f 326.4481 4.750605 1433.293       40.97136 1456.642      64.75780 1417.707       52.90667 328.6096 7.318607 324.2866 6.058959 4.322998       9.501210 
1 1 1 -8  14 19 o 109.5776 8.180367 166.2992       20.28733 156.3346      41.64933 169.3989       23.22941 107.1624 14.43385 111.9927 7.703088 -4.830338      16.36073 
1 1 1 -8  14 20 o 330.1404 5.043934 1471.059       43.81794 1480.463      69.90867 1464.974       56.23527 330.8839 7.846429 329.3971 6.340240 1.486786       10.08787 
1 1 1 -8  14 21 o 259.9358 5.070774 901.8278       33.88891 953.1009      57.89128 875.0977       41.79932 265.3267 8.103057 254.5448 6.098480 10.78181       10.14155 
1 1 1 -8  14 22 o 320.6859 7.151847 1391.737       61.75632 0.000000      0.000000 1391.737       61.75632 ?        ?        320.6859 7.151847 ?              ?        
1 1 1 -8  14 23 o 115.2061 10.31659 181.0934       31.64573 223.9238      47.98416 148.1250       42.09882 127.1970 14.00998 103.2152 15.14757 23.98180       20.63319 
1 1 1 -8  14 24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 25 o 49.61387 14.07500 21.65941       27.67586 17.04260      34.54406 29.93448       46.24749 45.35425 18.31290 53.87349 21.37898 -8.519238      28.15001 
1 1 1 -8  14 26 o 91.35328 11.81733 122.5275       27.67609 110.5462      35.95777 139.9418       43.35050 86.17060 16.08880 96.53596 17.31322 -10.36536      23.63465 
1 1 1 -8  14 27 o 90.35670 13.12904 130.8525       30.85969 133.9182      42.99037 127.5937       44.32458 91.89568 18.01770 88.81772 19.10103 3.077957       26.25808 
1 1 1 -8  14 28 o 73.07447 14.81083 96.47882       31.41601 69.94554      42.32693 129.0258       46.87885 61.59723 21.14313 84.55172 20.74634 -22.95449      29.62165 
1 1 1 -8  14 29 o 46.41477 13.70547 33.32384       31.03933 57.06140      39.74450 -3.791192      49.69741 53.19922 20.16877 39.63032 18.56289 13.56890       27.41095 
1 1 1 -8  16 1  o 348.2240 4.099704 1632.322       38.36068 1688.203      56.44882 1584.372       52.28996 353.7337 5.926455 342.7142 5.666342 11.01953       8.199409 
1 1 1 -8  16 2  o 118.6937 3.325883 189.0699       10.60221 178.0690      14.37664 202.1858       15.69790 114.9280 4.645668 122.4594 4.760648 -7.531456      6.651767 
1 1 1 -8  16 3  o 132.2175 3.286187 235.2648       11.67856 242.4520      17.12991 229.0230       15.96365 134.0970 4.744087 130.3381 4.548598 3.758911       6.572374 
1 1 1 -8  16 4  o 158.6793 3.319360 337.6098       14.10617 356.8249      21.29470 322.5851       18.83014 162.6719 4.861560 154.6866 4.520822 7.985245       6.638720 
1 1 1 -8  16 5  o 381.0740 4.430070 1959.460       45.44048 1981.769      65.29996 1938.514       63.27307 383.1664 6.329102 378.9815 6.200368 4.184906       8.860141 
1 1 1 -8  16 6  o 242.3333 5.067520 791.9026       33.06678 791.9026      33.06678 0.000000       0.000000 242.3333 5.067520 ?        ?        ?              ?        
1 1 1 -8  16 7  o 357.9959 4.255353 1729.387       41.01677 1713.293      58.19136 1745.277       57.82334 356.3344 6.064812 359.6573 5.970778 -3.322876      8.510707 
1 1 1 -8  16 8  o 292.8351 3.808386 1155.111       29.96918 1180.648      43.99292 1132.999       40.93749 295.8366 5.522650 289.8336 5.245527 6.003021       7.616772 
1 1 1 -8  16 9  o 188.8064 5.026051 480.7412       25.55212 0.000000      0.000000 480.7412       25.55212 ?        ?        188.8064 5.026051 ?              ?        
1 1 1 -8  16 10 o 241.4690 3.739790 786.5018       24.29209 743.6797      34.25225 829.8377       34.45708 234.8445 5.416581 248.0935 5.157980 -13.24893      7.479580 
1 1 1 -8  16 11 o 41.54685 10.39089 19.93800       14.89768 10.94988      22.03743 27.50257       20.21709 37.60159 14.80963 45.49211 14.57935 -7.890518      20.78178 
1 1 1 -8  16 12 o 74.76677 8.837056 76.76258       16.97955 103.1594      25.14329 54.63178       23.02209 87.31718 10.69397 62.21635 14.07172 25.10084       17.67411 
1 1 1 -8  16 13 o 116.6584 6.030905 183.8930       18.88594 202.9577      26.97557 165.5645       26.44969 122.6069 8.170945 110.7099 8.872594 11.89699       12.06181 
1 1 1 -8  16 14 o 456.3236 5.370204 2808.734       65.96999 2756.476      92.09111 2863.817       94.54873 451.9694 7.567027 460.6779 7.622106 -8.708496      10.74041 
1 1 1 -8  16 15 o 301.3414 4.527353 1223.983       36.72538 1236.395      52.66397 1212.234       51.24035 302.8245 6.458613 299.8584 6.346181 2.966034       9.054706 
1 1 1 -8  16 16 o 618.5991 6.949851 5169.837       115.7461 5157.046      164.9754 5182.238       162.4336 617.8265 9.916748 619.3718 9.739599 -1.545288      13.89970 
1 1 1 -8  16 17 o 38.19811 11.40717 -1.586524      21.32389 -41.89555     38.33631 16.47209       25.65969 34.20036 16.10882 42.19587 16.15550 -7.995510      22.81434 
1 1 1 -8  16 18 o 373.5296 6.683144 1883.741       67.21857 0.000000      0.000000 1883.741       67.21857 ?        ?        373.5296 6.683144 ?              ?        
1 1 1 -8  16 19 o 117.7845 8.100068 196.8329       22.41502 171.7907      42.63852 206.3965       26.34981 112.0647 14.13025 123.5044 7.923402 -11.43971      16.20014 
1 1 1 -8  16 20 o 226.2611 6.092418 691.3320       37.11786 0.000000      0.000000 691.3320       37.11786 ?        ?        226.2611 6.092418 ?              ?        
1 1 1 -8  16 21 o 239.1092 5.938759 772.4062       36.66347 786.4146      61.50120 764.6832       45.66502 240.5373 9.495500 237.6811 7.135190 2.856125       11.87752 
1 1 1 -8  16 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  16 23 o 146.1394 11.38145 309.1729       42.64161 236.5359      65.84676 361.6364       55.96085 129.9155 18.82305 162.3633 12.80009 -32.44771      22.76290 
1 1 1 -8  16 24 o 29.33273 10.21561 -78.38873      28.58608 -81.70811     40.23286 -75.00456      40.62363 28.85039 14.24736 29.81507 14.64402 -0.9646873     20.43121 
1 1 1 -8  16 25 o 33.45963 11.20321 -39.30008      27.06868 -25.79024     38.04077 -53.15648      38.52562 35.58940 16.52702 31.32985 15.12961 4.259548       22.40642 
1 1 1 -8  16 26 o 50.31778 14.12732 31.02323       29.09951 17.10097      42.47020 43.34287       39.95108 46.46008 19.66314 54.17548 20.29005 -7.715405      28.25465 
1 1 1 -8  16 27 o 54.89783 14.92833 51.75516       31.03690 50.20178      42.70050 53.49503       45.19091 54.30176 20.82869 55.49390 21.39124 -1.192146      29.85665 
1 1 1 -8  16 28 f 29.98046 10.50523 -65.00771      31.20816 -57.43730     39.94455 -76.86902      49.99929 28.94412 14.27538 31.01680 15.41601 -2.072678      21.01047 
1 1 1 -8  18 1  f 447.3226 5.049081 2696.818       60.76084 2627.922      83.80015 2773.187       88.22837 441.3185 7.051951 453.3267 7.227923 -12.00827      10.09816 
1 1 1 -8  18 2  o 300.8925 3.808194 1219.812       30.83979 1196.954      42.82953 1244.425       44.44331 297.9705 5.338099 303.8145 5.432684 -5.844025      7.616388 
1 1 1 -8  18 3  o 421.9276 4.823312 2401.601       54.78900 2370.974      76.62943 2433.632       78.36646 419.1807 6.789079 424.6744 6.853158 -5.493713      9.646625 
1 1 1 -8  18 4  o 314.6358 3.950166 1334.842       33.46591 1338.489      47.45378 1331.234       47.20311 315.0627 5.593587 314.2090 5.579159 0.8537292      7.900331 
1 1 1 -8  18 5  o 432.0956 4.934539 2518.988       57.40457 2482.576      80.34691 2556.954       82.04435 428.9099 6.956963 435.2813 6.999956 -6.371368      9.869079 
1 1 1 -8  18 6  o 313.7697 4.011987 1326.942       33.88877 1289.916      47.43014 1365.559       48.43766 309.2981 5.695000 318.2414 5.652534 -8.943237      8.023973 
1 1 1 -8  18 7  o 184.9138 3.759780 461.3275       18.69006 453.1957      27.07864 468.7261       25.82908 183.3489 5.484857 186.4788 5.143942 -3.129974      7.519560 
1 1 1 -8  18 8  o 398.9692 4.674688 2147.103       50.21740 2137.314      71.27054 2156.754       70.76839 398.0618 6.649303 399.8767 6.572489 -1.814850      9.349377 
1 1 1 -8  18 9  o 136.6220 4.626678 248.3954       16.88663 278.9995      25.94770 225.9104       22.24111 143.8186 6.700396 129.4254 6.381952 14.39322       9.253357 
1 1 1 -8  18 10 o 74.71339 8.173164 75.32800       16.41411 80.13316      24.08370 71.15989       22.43050 76.92851 11.62659 72.49828 11.49020 4.430229       16.34633 
1 1 1 -8  18 11 o 263.4826 3.997346 935.2720       28.33676 948.7257      41.03307 923.0062       39.17961 265.2877 5.744253 261.6775 5.560454 3.610168       7.994691 
1 1 1 -8  18 12 o 338.8377 4.388438 1547.492       40.03215 1564.014      57.25960 1531.694       55.98979 340.6038 6.243317 337.0717 6.168836 3.532166       8.776875 
1 1 1 -8  18 13 o 177.4091 6.803919 424.4220       32.50263 424.4220      32.50263 0.000000       0.000000 177.4091 6.803919 ?        ?        ?              ?        
1 1 1 -8  18 14 o 215.4245 4.567433 625.9946       26.48356 638.3680      37.18572 613.2584       37.72696 217.5912 6.346750 213.2578 6.569973 4.333466       9.134866 
1 1 1 -8  18 15 o 111.5432 7.742821 168.7726       23.20675 176.0765      32.28046 160.9597       33.38606 114.0701 10.50956 109.0163 11.37340 5.053787       15.48564 
1 1 1 -8  18 16 o 69.93822 11.40829 68.19444       22.81590 30.62259      31.89981 107.5452       32.64625 51.02179 18.28699 88.85465 13.64488 -37.83286      22.81659 
1 1 1 -8  18 17 o 57.63824 12.37739 41.49931       22.85744 73.23415      33.37025 13.44997       31.37275 71.50536 17.47866 43.77113 17.52983 27.73423       24.75477 
1 1 1 -8  18 18 o 150.6541 6.413763 308.4848       25.01451 304.7411      41.39399 310.6385       31.39551 149.7871 10.26312 151.5210 7.695049 -1.733826      12.82753 
1 1 1 -8  18 19 o 144.0155 8.613657 281.3538       33.40258 0.000000      0.000000 281.3538       33.40258 ?        ?        144.0155 8.613657 ?              ?        
1 1 1 -8  18 20 o 105.7525 12.01118 184.5721       28.32397 100.0889      49.38694 225.9794       34.57526 82.63574 21.85847 128.8694 9.963971 -46.23361      24.02236 
1 1 1 -8  18 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 22 o 229.7980 8.346278 726.6866       51.64430 0.000000      0.000000 726.6866       51.64430 ?        ?        229.7980 8.346278 ?              ?        
1 1 1 -8  18 23 o 58.76067 14.25410 51.18396       27.26894 46.30056      40.34056 55.29283       37.00340 57.10836 20.55437 60.41299 19.75436 -3.304630      28.50819 
1 1 1 -8  18 24 o 53.05013 14.26524 34.00690       30.16703 3.875126      44.76722 59.07093       40.82942 44.72390 19.56159 61.37636 20.76853 -16.65246      28.53047 
1 1 1 -8  18 25 o 76.60143 13.86124 85.65375       30.95041 169.7626      51.20831 37.24470       38.84927 101.8503 19.38025 51.35258 19.82277 50.49771       27.72249 
1 1 1 -8  18 26 o 51.78577 14.67841 43.61677       30.87899 50.12872      47.11892 38.71481       40.88131 53.81330 21.50741 49.75825 19.98135 4.055050       29.35682 
1 1 1 -8  18 27 f 46.73513 14.20599 35.50936       32.01624 31.70283      42.73897 40.37705       48.33047 45.38218 19.48112 48.08809 20.68154 -2.705910      28.41197 
1 1 1 -8  20 1  o 167.7331 3.760214 375.5180       16.82646 354.1911      22.09501 404.9645       25.96253 162.1254 5.061272 173.3409 5.562406 -11.21548      7.520428 
1 1 1 -8  20 2  o 464.0443 5.284929 2904.033       66.01952 2938.144      94.63622 2871.694       92.14502 466.6912 7.530857 461.3974 7.416745 5.293823       10.56986 
1 1 1 -8  20 3  o 404.9292 4.749647 2209.742       51.76405 2168.546      71.90993 2254.046       74.57357 401.0202 6.659463 408.8381 6.774077 -7.817932      9.499293 
1 1 1 -8  20 4  o 392.9131 4.691117 2081.345       49.62628 2110.977      70.79880 2052.723       69.58134 395.6609 6.645373 390.1654 6.623091 5.495453       9.382235 
1 1 1 -8  20 5  o 150.4664 4.284197 304.7105       17.34342 290.4169      23.98723 320.3681       25.10559 146.7746 6.069400 154.1582 6.048121 -7.383575      8.568395 
1 1 1 -8  20 6  o 196.7090 3.884122 521.3235       20.56925 531.1128      29.43986 511.9869       28.75100 198.5120 5.507638 194.9061 5.478280 3.605972       7.768245 
1 1 1 -8  20 7  o 289.2175 4.074308 1127.438       31.72803 1113.125      44.77977 1141.868       44.96121 287.3728 5.786991 291.0623 5.736785 -3.689545      8.148617 
1 1 1 -8  20 8  o 250.5971 4.016973 846.1910       27.06554 850.5117      39.40784 842.3333       37.23723 251.1953 5.826232 249.9990 5.531664 1.196350       8.033946 
1 1 1 -8  20 9  o 123.3723 5.399611 205.3012       17.92450 206.2521      25.87465 204.4238       24.85427 123.6424 7.771835 123.1021 7.498118 0.5403366      10.79922 
1 1 1 -8  20 10 o 313.5135 4.289929 1325.115       36.21262 1321.640      51.47683 1328.520       50.95197 313.1039 6.105764 313.9231 6.027737 -0.8192749     8.579858 
1 1 1 -8  20 11 f 629.9103 6.956798 5358.970       117.9663 5279.080      164.5609 5443.423       169.1948 625.0966 9.776786 634.7241 9.899626 -9.627502      13.91360 
1 1 1 -8  20 12 o 367.5451 4.713842 1822.793       46.65044 1821.241      65.70300 1824.371       66.24773 367.3904 6.641620 367.6999 6.691048 -0.3095093     9.427684 
1 1 1 -8  20 13 o 192.2891 4.848751 497.3289       25.04487 472.3441      34.00420 526.9516       37.02604 187.0399 6.751728 197.5383 6.961013 -10.49847      9.697501 
1 1 1 -8  20 14 o 95.51558 8.972245 126.4018       22.63423 139.2112      30.27573 110.1709       34.08022 101.2264 11.10753 89.80476 14.09353 11.42163       17.94449 
1 1 1 -8  20 15 o 174.7999 5.903862 415.7457       27.65076 451.2400      38.48646 377.8778       39.75243 182.6094 7.827110 166.9904 8.840742 15.61897       11.80772 
1 1 1 -8  20 16 o 423.4973 7.742782 2426.465       88.29396 2426.465      88.29396 0.000000       0.000000 423.4973 7.742782 ?        ?        ?              ?        
1 1 1 -8  20 17 o 302.9751 5.439372 1229.175       43.85216 1334.119      68.46137 1156.160       57.10468 313.7119 8.104595 292.2383 7.256900 21.47354       10.87874 
1 1 1 -8  20 18 o 247.4282 9.266705 831.7197       61.73875 831.7197      61.73875 0.000000       0.000000 247.4282 9.266705 ?        ?        ?              ?        
1 1 1 -8  20 19 o 247.6671 8.498589 830.2427       56.67590 0.000000      0.000000 830.2427       56.67590 ?        ?        247.6671 8.498589 ?              ?        
1 1 1 -8  20 20 o 121.8768 13.89708 215.5880       45.60663 0.000000      0.000000 215.5880       45.60663 ?        ?        121.8768 13.89708 ?              ?        
1 1 1 -8  20 21 o 45.49544 13.93206 2.371727       30.50423 17.09567      50.00377 -6.355598      38.49738 50.86934 21.42190 40.12153 17.81885 10.74781       27.86412 
1 1 1 -8  20 22 o 134.6906 8.468488 276.3465       27.66852 154.6197      41.12960 376.9704       37.39488 103.8087 14.71423 165.5726 8.387651 -61.76389      16.93698 
1 1 1 -8  20 23 o 136.4852 9.196934 243.6487       32.00406 364.1367      57.70264 190.1159       38.46216 158.0606 13.55778 114.9097 12.43064 43.15090       18.39387 
1 1 1 -8  20 24 o 56.76899 15.22018 53.99995       30.96146 34.79646      63.74867 59.92815       35.41947 54.16011 23.52131 59.37787 19.32262 -5.217766      30.44036 
1 1 1 -8  20 25 f 49.20815 14.12436 41.30859       30.66068 14.71392      51.14459 56.22843       38.30756 44.15061 19.99535 54.26569 19.95434 -10.11508      28.24871 
1 1 1 -8  22 1  o 226.0477 3.866988 689.6005       23.39227 692.6381      31.42484 685.8255       35.03161 226.6301 5.149583 225.4652 5.770283 1.164871       7.733975 
1 1 1 -8  22 2  o 568.1141 6.327165 4362.859       96.74112 4281.720      134.2760 4450.432       139.4987 562.6504 8.862908 573.5778 9.032216 -10.92737      12.65433 
1 1 1 -8  22 3  o 348.7646 4.420933 1639.999       41.47922 1616.879      57.27596 1665.499       60.15049 346.1940 6.144258 351.3352 6.358200 -5.141205      8.841866 
1 1 1 -8  22 4  o 488.1864 5.596476 3217.544       73.53516 3165.491      102.2039 3273.411       105.8824 484.1099 7.840437 492.2629 7.988100 -8.152985      11.19295 
1 1 1 -8  22 5  o 199.3515 4.142112 532.1392       22.13821 495.4255      29.66807 578.2648       33.25426 191.6565 5.748869 207.0465 5.964803 -15.39005      8.284224 
1 1 1 -8  22 6  o 372.7916 4.664769 1875.873       46.82436 1868.937      66.33643 1882.760       66.10348 372.1014 6.620753 373.4818 6.573119 -1.380402      9.329537 
1 1 1 -8  22 7  o 243.2997 4.134267 798.2413       27.07311 812.3873      38.97807 785.0558       37.63173 245.3766 5.899346 241.2229 5.793650 4.153671       8.268535 
1 1 1 -8  22 8  o 314.2345 4.394330 1332.524       37.17556 1299.022      52.32706 1366.666       52.82483 310.2408 6.263888 318.2282 6.164758 -7.987396      8.788660 
1 1 1 -8  22 9  o 179.5228 6.786674 435.2183       32.80650 435.2183      32.80650 0.000000       0.000000 179.5228 6.786674 ?        ?        ?              ?        
1 1 1 -8  22 10 o 67.63197 11.15579 65.27459       19.97640 71.47781      28.13276 58.96609       28.37052 70.94678 15.18493 64.31718 16.34700 6.629601       22.31158 
1 1 1 -8  22 11 o 274.0442 4.527449 1014.461       33.40836 1013.422      47.30999 1015.493       47.18339 273.9026 6.414655 274.1857 6.390882 -0.2830811     9.054898 
1 1 1 -8  22 12 o 386.8572 5.047298 2022.841       52.55018 1999.400      72.99508 2048.059       75.71383 384.5523 7.049442 389.1621 7.225389 -4.609772      10.09460 
1 1 1 -8  22 13 o 38.08700 11.88824 -10.89493      24.25913 1.077793      33.06988 -24.84435      35.69557 40.57223 17.26857 35.60177 16.34373 4.970459       23.77648 
1 1 1 -8  22 14 o 232.4086 5.702738 719.1415       35.24389 901.6593      53.58534 579.9914       46.78807 258.0058 7.713175 206.8114 8.401895 51.19437       11.40548 
1 1 1 -8  22 15 o 130.3983 8.893147 230.6778       31.07812 253.5598      46.80979 212.6411       41.55936 136.0992 12.77314 124.6974 12.37736 11.40179       17.78629 
1 1 1 -8  22 16 o 214.7445 9.418920 645.0062       54.46363 645.0062      54.46363 0.000000       0.000000 214.7445 9.418920 ?        ?        ?              ?        
1 1 1 -8  22 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  22 18 o 90.68912 24.28362 145.2036       60.48199 145.2036      60.48199 0.000000       0.000000 90.68912 24.28362 ?        ?        ?              ?        
1 1 1 -8  22 19 o 77.75421 13.51046 70.04977       29.83100 179.2754      54.44228 23.18612       35.66088 108.0844 19.42024 47.42408 18.78788 60.66027       27.02092 
1 1 1 -8  22 20 o 59.18718 13.80233 53.86904       28.06009 4.436956      51.93685 74.24593       33.34573 48.60388 21.16918 69.77048 17.71674 -21.16660      27.60466 
1 1 1 -8  22 21 o 115.2903 10.13905 189.1163       30.46078 218.7008      51.11045 172.8197       37.93374 121.1552 15.66694 109.4254 12.87432 11.72984       20.27810 
1 1 1 -8  22 22 o 57.00569 15.15023 47.08974       30.35654 75.82036      52.15746 32.37178       37.33082 65.03712 23.37559 48.97427 19.27950 16.06285       30.30045 
1 1 1 -8  22 23 o 58.69792 14.95895 67.54827       32.81841 28.76284      59.22005 84.73936       39.42631 49.82588 22.11589 67.56996 20.14865 -17.74408      29.91790 
1 1 1 -8  22 24 o 35.69056 12.03526 -20.38474      31.78091 -34.83867     51.69989 -11.60534      40.29295 35.91573 17.38806 35.46539 16.64468 0.4503365      24.07052 
1 1 1 -8  24 1  o 132.9146 5.529532 238.6373       19.49335 236.7443      25.41453 241.3424       30.38108 132.3310 7.132425 133.4982 8.451710 -1.167191      11.05906 
1 1 1 -8  24 2  o 345.3964 4.578661 1611.915       42.54333 1616.943      58.95254 1606.450       61.45623 345.9852 6.327929 344.8076 6.619205 1.177673       9.157323 
1 1 1 -8  24 3  f 152.4066 5.089599 316.4937       20.62305 331.6324      27.48355 296.9847       31.19935 156.6692 6.514873 148.1440 7.821286 8.525192       10.17920 
1 1 1 -8  24 4  o 224.6279 4.334345 683.1367       26.04895 697.3265      35.12510 665.7950       38.83051 227.2698 5.739744 221.9861 6.496269 5.283722       8.668690 
1 1 1 -8  24 5  o 280.4476 4.321818 1062.127       32.58189 1060.862      44.79109 1063.549       47.48209 280.2951 5.934617 280.6000 6.284326 -0.3049316     8.643636 
1 1 1 -8  24 6  f 476.6248 5.566130 3073.695       71.42942 3049.005      100.2366 3099.167       101.8148 474.6895 7.842119 478.5601 7.901163 -3.870667      11.13226 
1 1 1 -8  24 7  o 311.4545 4.515306 1310.066       37.86285 1336.815      53.98310 1284.166       53.11964 314.5851 6.372890 308.3239 6.398299 6.261139       9.030612 
1 1 1 -8  24 8  o 466.5950 5.603663 2944.583       70.37230 2866.474      97.75747 3028.595       101.3845 460.1891 7.889150 473.0009 7.960243 -12.81180      11.20733 
1 1 1 -8  24 9  f 103.5795 9.236050 149.1137       25.23488 180.5768      35.37885 116.5281       36.00438 115.0762 11.41760 92.08269 14.52091 22.99355       18.47210 
1 1 1 -8  24 10 o 444.5276 5.617074 2678.260       67.23230 2651.748      95.03335 2704.826       95.12840 442.3119 7.979286 446.7433 7.908038 -4.431396      11.23415 
1 1 1 -8  24 11 o 119.1217 8.751139 194.0628       28.05140 194.3083      38.99020 193.7995       40.38807 119.2341 12.14428 119.0094 12.60342 0.2246780      17.50228 
1 1 1 -8  24 12 o 57.21276 13.61476 35.30690       28.64767 -8.309237     41.07954 76.60092       39.97105 42.15553 18.57946 72.26999 19.90604 -30.11446      27.22952 
1 1 1 -8  24 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  24 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  24 15 o 32.04771 15.73697 -76.32520      46.82878 0.000000      0.000000 -76.32520      46.82878 ?        ?        32.04771 15.73697 ?              ?        
1 1 1 -8  24 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  24 17 o 39.73833 12.74626 -20.44814      28.47992 6.306630      47.33992 -35.62403      35.65365 47.05252 20.35178 32.42413 15.35166 14.62840       25.49251 
1 1 1 -8  24 18 o 46.27258 13.79234 13.83747       29.08335 4.667278      46.87586 19.57664       37.08385 46.14014 20.10329 46.40502 18.88841 -0.2648773     27.58467 
1 1 1 -8  24 19 o 74.94082 14.24470 93.86182       30.14203 70.08202      43.72605 115.3930       41.60736 65.00954 21.48449 84.87209 18.70996 -19.86255      28.48940 
1 1 1 -8  24 20 o 64.06516 14.81799 71.80347       29.40667 67.70318      45.52458 74.73932       38.52174 62.19877 21.89329 65.93155 19.97436 -3.732777      29.63598 
1 1 1 -8  24 21 o 54.34300 14.31015 53.00748       29.99718 23.42261      49.11674 70.60695       37.88301 46.88439 20.49864 61.80161 19.97316 -14.91722      28.62030 
1 1 1 -8  24 22 o 43.53019 13.66844 21.59146       31.60396 27.78920      49.04809 17.19146       41.32675 45.40865 20.14252 41.65173 18.48198 3.756920       27.33687 
1 1 1 -8  26 1  o 213.8817 5.711120 635.4716       31.95602 713.7734      42.29528 531.3158       48.78069 229.8023 6.835246 197.9612 9.151337 31.84116       11.42224 
1 1 1 -8  26 2  o 70.46225 13.08992 74.24332       24.61410 77.06237      30.75157 69.21712       41.06164 72.57754 16.15162 68.34695 20.60361 4.230583       26.17983 
1 1 1 -8  26 3  o 214.2763 5.517052 626.1740       31.36403 607.8719      40.74289 652.7955       49.13831 210.7686 7.178976 217.7839 8.379365 -7.015244      11.03410 
1 1 1 -8  26 4  o 108.4398 9.115024 173.3742       25.60063 198.3191      33.80416 139.8267       39.20211 118.9231 10.55652 97.95657 14.86252 20.96648       18.23005 
1 1 1 -8  26 5  o 61.78102 13.64603 55.47657       25.57000 38.65010      33.90329 77.67472       38.94068 52.94424 18.86558 70.61779 19.72172 -17.67355      27.29206 
1 1 1 -8  26 6  o 40.40713 17.37518 0.5973403      34.10216 0.5973403     34.10216 0.000000       0.000000 40.40713 17.37518 ?        ?        ?              ?        
1 1 1 -8  26 7  o 87.06402 16.57486 107.5463       37.43789 107.5463      37.43789 0.000000       0.000000 87.06402 16.57486 ?        ?        ?              ?        
1 1 1 -8  26 8  o 170.8608 9.790485 395.3123       45.04328 395.3123      45.04328 0.000000       0.000000 170.8608 9.790485 ?        ?        ?              ?        
1 1 1 -8  26 9  o 141.6568 11.51083 272.4381       43.90638 272.4381      43.90638 0.000000       0.000000 141.6568 11.51083 ?        ?        ?              ?        
1 1 1 -8  26 10 o 147.2282 11.65798 299.4728       46.21657 299.4728      46.21657 0.000000       0.000000 147.2282 11.65798 ?        ?        ?              ?        
1 1 1 -8  26 11 o 129.5441 8.909430 238.0984       30.99353 248.4285      42.98081 226.9080       44.73474 132.7617 12.02316 126.3265 13.15125 6.435188       17.81886 
1 1 1 -8  26 12 o 176.7907 6.858663 429.9722       32.62936 429.9349      45.35476 430.0121       46.97782 176.8503 9.524310 176.7311 9.871805 0.1192780      13.71733 
1 1 1 -8  26 13 o 128.2380 9.087305 237.2954       30.61999 257.4705      40.41024 210.0941       46.92215 135.5984 11.06760 120.8776 14.41613 14.72079       18.17461 
1 1 1 -8  26 14 o 57.57836 14.28715 43.18970       29.57471 72.90131      41.45870 12.40450       42.20109 68.43633 20.71927 46.72039 19.67747 21.71594       28.57431 
1 1 1 -8  26 15 o 66.90154 14.66531 71.25169       29.26911 81.04327      42.23026 62.20007       40.60322 70.87400 20.78110 62.92907 20.69858 7.944927       29.33062 
1 1 1 -8  26 16 o 53.63627 14.43296 39.89791       28.89977 32.69833      39.79807 47.92936       42.03447 50.74302 19.92852 56.52951 20.88290 -5.786495      28.86592 
1 1 1 -8  26 17 o 43.30016 13.18638 8.824569       28.88712 26.22142      37.00760 -18.30524      46.21458 46.99842 18.96242 39.60191 18.32893 7.396503       26.37277 
1 1 1 -8  26 18 o 37.35727 12.27549 -17.15233      29.31825 -26.51225     38.57491 -4.350633      45.11309 33.95578 16.04391 40.75877 18.58343 -6.802986      24.55099 
1 1 1 -8  26 19 o 42.38010 13.28902 14.39719       30.41566 25.28400      42.68679 3.169793       43.34933 44.79902 19.35143 39.96118 18.21852 4.837833       26.57804 
1 1 1 -8  26 20 o 51.41898 14.52210 50.94246       30.64140 69.59801      45.34978 35.27142       41.56424 56.63147 21.52628 46.20650 19.49832 10.42496       29.04419 
1 1 1 -8  28 1  o 38.58346 11.97581 -0.4596183     22.57876 3.388391      27.06746 -9.262590      40.93964 36.57112 15.59565 40.59580 18.17844 -4.024685      23.95162 
1 1 1 -8  28 2  o 46.88771 12.88759 24.43722       23.60414 33.20906      29.77286 9.594369       38.72879 49.49491 17.67454 44.28052 18.76089 5.214390       25.77519 
1 1 1 -8  28 3  o 46.69058 12.83868 23.99468       23.62462 34.28843      29.64509 6.080701       39.10769 49.93266 17.65722 43.44851 18.64266 6.484150       25.67735 
1 1 1 -8  28 4  o 175.0853 6.081674 424.6068       27.54956 430.0439      34.63605 415.2425       45.45511 177.2103 7.258653 172.9603 9.760070 4.249985       12.16335 
1 1 1 -8  28 5  o 83.33887 11.75472 102.8599       24.94343 96.17968      31.80707 113.5301       40.19920 80.47201 15.23688 86.20573 17.90338 -5.733727      23.50943 
1 1 1 -8  28 6  o 171.5629 6.105711 405.2604       28.05652 400.8828      37.70366 410.6922       41.99878 170.7222 8.201817 172.4036 9.047047 -1.681427      12.21142 
1 1 1 -8  28 7  o 87.88838 11.47369 113.6350       25.92495 103.2357      34.01368 128.0514       40.04775 83.29250 15.74260 92.48426 16.69588 -9.191757      22.94737 
1 1 1 -8  28 8  o 72.54790 13.20024 81.96810       25.95880 89.37895      34.38242 72.14330       39.58810 76.91589 17.04888 68.17990 20.15740 8.735992       26.40048 
1 1 1 -8  28 9  o 161.6448 8.769001 360.0439       38.16763 360.0439      38.16763 0.000000       0.000000 161.6448 8.769001 ?        ?        ?              ?        
1 1 1 -8  28 10 o 42.53503 12.83161 3.971454       26.44423 -12.39963     36.11496 22.89440       38.82781 37.08877 16.79931 47.98130 19.40061 -10.89253      25.66321 
1 1 1 -8  28 11 o 68.35572 13.76816 75.95278       26.56428 80.36835      35.15654 70.07730       40.55410 71.10458 18.26549 65.60686 20.60634 5.497711       27.53633 
1 1 1 -8  28 12 o 42.78497 12.46709 -0.8504348     27.77197 42.50201      36.24379 -62.50475      43.22237 53.53024 19.45083 32.03970 15.60058 21.49054       24.93418 
1 1 1 -8  28 13 o 128.7073 8.790992 248.2057       29.24833 281.7490      38.44729 202.1263       45.06268 140.9619 10.12933 116.4527 14.37090 24.50913       17.58198 
1 1 1 -8  28 14 o 54.64104 13.63974 46.25527       28.79177 77.02081      37.35397 1.223999       45.19200 66.83628 19.52950 42.44580 19.04649 24.39048       27.27948 
1 1 1 -8  28 15 o 62.41473 14.81354 71.48758       29.18431 62.69024      38.65117 83.15534       44.51235 58.81393 20.20328 66.01553 21.67006 -7.201595      29.62709 
1 1 1 -8  28 16 o 44.13274 13.46671 24.17882       29.73205 35.81833      39.22943 8.468893       45.57552 46.90048 19.29670 41.36501 18.78953 5.535473       26.93341 
1 1 1 -8  28 17 f 65.88417 14.15243 87.28356       30.07919 47.66786      41.66852 130.3891       43.46514 49.87983 20.12248 81.88851 19.90604 -32.00869      28.30485 
1 1 1 -8  30 1  o 58.82431 13.40487 54.42431       23.49663 42.37413      29.27201 76.25401       39.39849 51.54802 17.58443 66.10059 20.23733 -14.55257      26.80973 
1 1 1 -8  30 2  o 146.7084 6.509583 299.7267       25.03576 285.6864      31.66544 323.1375       40.88878 142.8827 8.230430 150.5341 10.08755 -7.651428      13.01917 
1 1 1 -8  30 3  o 89.54095 11.13087 137.0656       23.60081 164.8109      29.45564 87.31577       39.44296 107.5357 10.17261 71.54620 19.80159 35.98951       22.26174 
1 1 1 -8  30 4  o 75.75381 12.13249 93.82480       23.75434 99.44666      29.39695 83.24758       40.32259 81.95502 13.32120 69.55259 20.28140 12.40244       24.26499 
1 1 1 -8  30 5  o 139.3959 7.583089 287.8139       26.95820 315.6853      34.32904 242.9751       43.54208 150.0877 8.494411 128.7042 12.56415 21.38350       15.16618 
1 1 1 -8  30 6  o 42.47502 12.37917 12.07527       24.86193 36.84430      33.57370 -17.99899      36.99493 49.73321 18.60536 35.21683 16.33450 14.51638       24.75833 
1 1 1 -8  30 7  o 86.88333 10.87074 117.3346       24.21970 117.4580      31.19468 117.1474       38.42967 88.92944 13.02722 84.83723 17.40641 4.092201       21.74147 
1 1 1 -8  30 8  f 44.77573 12.56341 24.45778       23.82651 39.75233      30.89211 1.999690       37.43395 50.11784 17.99235 39.43364 17.53944 10.68420       25.12681 
1 1 1 -8  30 9  o 51.83651 12.87142 42.60419       24.59246 66.76826      33.06686 12.69565       36.78794 62.08558 18.43839 41.58743 17.96441 20.49815       25.74285 
1 1 1 -8  30 10 o 54.24197 13.28059 48.04729       25.04587 23.74932      33.89453 77.27213       37.17241 43.48631 17.91955 64.99763 19.60576 -21.51132      26.56118 
1 1 1 -8  30 11 o 74.78714 12.45087 103.0905       27.02675 144.5864      37.27657 57.10269       39.24233 94.89909 14.58782 54.67519 20.18149 40.22390       24.90175 
1 1 1 -8  30 12 o 54.11042 14.15186 57.24890       27.25746 47.00734      36.38978 70.34002       41.14193 50.04922 19.22079 58.17162 20.77646 -8.122398      28.30371 
1 1 1 -8  30 13 o 43.77403 13.40486 24.98322       28.69923 15.76655      37.43766 38.11843       44.69309 40.30265 17.75115 47.24542 20.09124 -6.942776      26.80972 
1 1 1 -7  1  1  o 383.7402 4.152003 1981.144       42.86965 1935.348      59.25037 2031.457       62.10392 379.0921 5.804475 388.3884 5.938399 -9.296295      8.304006 
1 1 1 -7  1  2  o 1475.799 15.58133 29425.95       619.1703 29510.86      878.1569 29341.99       873.1429 1477.909 22.06688 1473.689 22.00371 4.219604       31.16265 
1 1 1 -7  1  3  o 812.2247 8.571943 8890.222       187.4709 8917.957      265.8959 8862.807       264.3587 813.4833 12.13891 810.9661 12.10619 2.517212       17.14389 
1 1 1 -7  1  4  o 533.7689 5.661293 3833.488       81.30221 3931.399      117.8669 3744.619       112.2929 540.2613 8.102232 527.2766 7.909159 12.98468       11.32259 
1 1 1 -7  1  5  o 959.7416 10.12805 12419.80       261.7359 12410.81      369.8839 12428.81       370.4176 959.3944 14.31808 960.0887 14.32837 -0.6943359     20.25610 
1 1 1 -7  1  6  f 1452.202 15.33454 28499.31       599.6234 28563.83      849.7407 28435.32       846.2609 1453.834 21.70642 1450.570 21.66617 3.263794       30.66907 
1 1 1 -7  1  7  o 1063.688 11.24003 15218.08       321.2129 14652.98      437.0081 15882.16       473.7392 1042.310 15.57073 1085.066 16.21436 -42.75525      22.48006 
1 1 1 -7  1  8  o 766.9082 8.096227 7921.301       167.1408 7804.536      232.9906 8045.101       239.9067 761.0918 11.36889 772.7245 11.53013 -11.63275      16.19245 
1 1 1 -7  1  9  o 1107.764 11.67276 16541.04       348.1663 16628.72      495.0778 16455.26       489.7289 1110.665 16.55416 1104.864 16.46128 5.800537       23.34553 
1 1 1 -7  1  10 o 612.2844 6.488057 5048.448       106.9477 5102.268      153.0086 4997.037       149.5447 615.4728 9.232594 609.0961 9.118045 6.376648       12.97611 
1 1 1 -7  1  11 o 974.5757 10.28395 12801.77       269.8619 12730.66      379.5998 12874.43       383.7182 971.8425 14.50597 977.3090 14.58133 -5.466431      20.56790 
1 1 1 -7  1  12 o 832.4891 8.802001 9337.597       197.3037 9300.285      278.0009 9375.465       280.0699 830.8146 12.42678 834.1637 12.46900 -3.349121      17.60400 
1 1 1 -7  1  13 o 201.8089 2.745756 548.4877       14.91739 537.6477      21.15443 559.2093       21.03879 199.8249 3.931592 203.7929 3.833967 -3.967972      5.491513 
1 1 1 -7  1  14 o 361.6377 4.922143 1759.188       45.29295 1769.282      78.19514 1754.092       55.56296 362.3867 8.013535 360.8887 5.717797 1.497955       9.844285 
1 1 1 -7  1  15 o 428.1022 5.754039 2470.679       62.63583 2472.153      108.1388 2469.935       76.83746 428.0957 9.381172 428.1086 6.665545 -0.1284790E-01 11.50808 
1 1 1 -7  1  16 o 468.2335 6.266654 2968.499       74.94682 2932.974      127.7794 2987.129       92.53547 465.8820 10.18595 470.5849 7.302757 -4.702881      12.53331 
1 1 1 -7  1  17 o 372.5266 8.023172 1874.592       80.47980 0.000000      0.000000 1874.592       80.47980 ?        ?        372.5266 8.023172 ?              ?        
1 1 1 -7  1  18 o 95.42435 7.406336 124.3960       18.34959 127.1874      23.21774 119.7512       29.94943 96.95316 8.893537 93.89554 11.84569 3.057617       14.81267 
1 1 1 -7  1  19 o 181.1323 5.673323 446.1784       27.08218 458.1289      35.14717 428.7139       42.48880 184.2084 7.085941 178.0563 8.862042 6.152115       11.34665 
1 1 1 -7  1  20 o 155.2534 6.035528 322.9833       24.73741 313.0809      31.75892 338.2591       39.44524 152.2949 7.744562 158.2120 9.259166 -5.917038      12.07106 
1 1 1 -7  1  21 o 149.5715 8.320148 302.0404       33.50915 302.0404      33.50915 0.000000       0.000000 149.5715 8.320148 ?        ?        ?              ?        
1 1 1 -7  1  22 o 317.2255 5.483441 1357.573       46.80272 1287.137      65.72302 1430.043       66.66510 308.8651 7.902514 325.5859 7.604130 -16.72079      10.96688 
1 1 1 -7  1  23 o 303.9010 5.696140 1243.931       46.55299 1307.385      67.94157 1187.776       63.91455 311.1836 8.108405 296.6183 8.002364 14.56528       11.39228 
1 1 1 -7  1  24 o 235.8051 5.764127 752.1689       36.57765 754.9553      52.68120 749.5754       50.82589 236.2082 8.282803 235.4020 8.018468 0.8061523      11.52825 
1 1 1 -7  1  25 o 45.19433 12.69426 -9.180558      27.50582 -59.60074     38.23756 44.88632       39.59621 31.16508 15.05555 59.22358 20.44278 -28.05850      25.38852 
1 1 1 -7  1  26 o 234.0330 7.314164 745.3752       46.06034 708.1379      64.56686 783.9625       65.72694 228.0399 10.51515 240.0261 10.16954 -11.98622      14.62833 
1 1 1 -7  1  27 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  1  28 o 74.23441 16.29554 80.33907       39.09143 34.66519      54.92620 127.2215       55.64812 58.15088 23.22807 90.31794 22.86122 -32.16706      32.59108 
1 1 1 -7  1  29 o 68.96145 15.69489 74.42467       34.56080 99.62579      47.84210 46.92012       49.98072 78.75336 21.81250 59.16954 22.57283 19.58381       31.38977 
1 1 1 -7  1  30 o 131.7695 10.23982 258.9629       36.29539 264.8356      52.72313 253.6725       50.04071 132.9682 14.72550 130.5709 14.23291 2.397278       20.47965 
1 1 1 -7  1  31 o 46.64036 14.48044 24.47047       35.35443 10.85871      51.38489 36.70649       48.71901 44.07372 19.99342 49.20700 20.95221 -5.133278      28.96087 
1 1 1 -7  3  1  o 173.1950 2.288804 403.0804       10.66024 388.7180      14.62898 419.3424       15.56638 169.9120 3.197470 176.4779 3.275773 -6.565887      4.577609 
1 1 1 -7  3  2  f 375.0759 4.062406 1893.636       41.00995 1865.896      56.98879 1923.428       59.06032 372.2294 5.685849 377.9224 5.803765 -5.692932      8.124812 
1 1 1 -7  3  3  o 764.1749 8.076109 7870.292       166.1794 7881.538      235.3306 7859.108       234.6970 764.7188 11.42861 763.6309 11.41407 1.087891       16.15222 
1 1 1 -7  3  4  o 265.8577 2.977806 951.7314       21.31709 953.0389      30.12793 950.4207       30.16594 266.0406 4.205698 265.6748 4.216801 0.3657837      5.955611 
1 1 1 -7  3  5  o 775.1542 8.182820 8096.488       170.7644 8191.094      244.2915 8006.088       238.7969 779.5767 11.63767 770.7318 11.50647 8.844849       16.36564 
1 1 1 -7  3  6  o 425.9573 6.443544 2443.531       73.90508 0.000000      0.000000 2443.531       73.90508 ?        ?        425.9573 6.443544 ?              ?        
1 1 1 -7  3  7  o 371.3924 5.672428 1857.404       56.72642 0.000000      0.000000 1857.404       56.72642 ?        ?        371.3924 5.672428 ?              ?        
1 1 1 -7  3  8  o 836.1896 8.844119 9411.147       198.9766 9654.559      288.3826 9189.977       274.8925 846.4914 12.65211 825.8879 12.36114 20.60352       17.68824 
1 1 1 -7  3  9  o 390.1976 4.235578 2048.065       44.45219 2093.181      64.68243 2007.686       61.19241 394.2643 6.092780 386.1309 5.885450 8.133423       8.471156 
1 1 1 -7  3  10 o 451.0181 4.846987 2739.305       58.86277 2733.917      83.45945 2744.638       83.03124 450.5765 6.878973 451.4597 6.830289 -0.8832397     9.693974 
1 1 1 -7  3  11 o 775.4572 10.08972 8032.152       196.0330 8307.519      351.0833 7907.409       236.2997 784.8524 16.61265 766.0620 11.45555 18.79041       20.17944 
1 1 1 -7  3  12 o 387.2014 5.178000 2000.949       50.37559 2069.267      89.74811 1969.524       60.86856 391.9636 8.503471 382.4393 5.910813 9.524292       10.35600 
1 1 1 -7  3  13 o 1323.276 17.17568 23584.00       573.4194 23963.68      1008.843 23402.80       696.9486 1330.079 28.16844 1316.473 19.66100 13.60632       34.35136 
1 1 1 -7  3  14 o 722.3514 8.889445 7088.682       153.7696 6931.196      293.4036 7148.319       180.5521 716.4406 15.20904 728.2623 9.207280 -11.82172      17.77889 
1 1 1 -7  3  15 o 552.6727 7.315119 4068.510       101.0117 4275.116      182.4811 3977.236       121.2890 562.3539 12.05105 542.9915 8.295546 19.36249       14.63024 
1 1 1 -7  3  16 f 245.3671 4.443588 812.5609       29.33050 830.2625      40.88351 793.7882       42.10254 248.1335 6.118986 242.6008 6.445145 5.532684       8.887176 
1 1 1 -7  3  17 o 95.77464 6.284223 126.4703       15.44742 132.7936      19.41448 115.5599       25.50186 99.17013 7.270453 92.37917 10.25214 6.790962       12.56845 
1 1 1 -7  3  18 o 230.2088 4.513323 714.4092       27.88556 705.1420      37.82239 725.4459       41.27580 228.5957 6.144655 231.8219 6.612379 -3.226166      9.026646 
1 1 1 -7  3  19 o 197.1338 11.17955 570.4135       33.28540 579.6995      34.98669 481.8374       108.0552 207.2935 6.268068 186.9740 21.46254 20.31950       22.35910 
1 1 1 -7  3  20 o 369.9394 9.056841 1954.792       79.51572 2085.178      94.47598 1638.075       147.2450 392.8839 8.930458 346.9948 15.75920 45.88910       18.11368 
1 1 1 -7  3  21 o 403.9086 9.062133 2189.429       85.19393 2169.267      98.09574 2251.311       171.8559 400.7781 9.089977 407.0391 15.67997 -6.260956      18.12427 
1 1 1 -7  3  22 o 145.0336 18.31974 413.0892       32.92379 431.9207      34.17756 170.4528       122.6811 178.9547 7.092748 111.1125 35.94640 67.84215       36.63947 
1 1 1 -7  3  23 o 195.9992 13.50476 565.4628       38.35612 573.3654      40.13506 482.1999       130.2768 206.0789 7.232810 185.9195 26.02308 20.15933       27.00952 
1 1 1 -7  3  24 o 137.3117 17.45923 289.9912       33.00454 293.7349      34.37793 245.9252       117.9459 147.2811 8.668609 127.3424 33.82534 19.93868       34.91845 
1 1 1 -7  3  25 o 89.85383 20.36831 94.61498       33.48557 92.73606      34.56476 123.3026       135.0602 80.70523 16.46327 99.00243 37.26169 -18.29720      40.73663 
1 1 1 -7  3  26 o 211.0962 19.83812 746.4783       58.52678 769.8126      61.70546 537.3391       184.7330 238.0180 9.627874 184.1743 38.49035 53.84364       39.67623 
1 1 1 -7  3  27 o 328.4627 32.97228 1547.583       291.6207 0.000000      0.000000 1547.583       291.6207 ?        ?        328.4627 32.97228 ?              ?        
1 1 1 -7  3  28 o 64.54953 20.65642 28.82099       46.01851 34.21169      47.42234 -58.20653      190.5412 55.18789 21.72838 73.91117 35.13728 -18.72329      41.31285 
1 1 1 -7  3  29 o 81.29279 21.09837 100.8580       42.41232 98.40619      44.03036 132.3904       157.9009 78.23610 20.61246 84.34948 36.81971 -6.113380      42.19674 
1 1 1 -7  3  30 o 63.51714 18.53952 67.65137       45.39156 75.54007      48.10589 3.605254       137.0699 65.38381 22.53473 61.65048 29.44555 3.733334       37.07903 
1 1 1 -7  3  31 o 52.79092 16.28371 51.98679       44.74886 68.05065      49.46769 -20.36560      104.9840 57.10231 22.27719 48.47954 23.75636 8.622772       32.56743 
1 1 1 -7  5  1  o 514.8518 6.739072 3600.503       89.06449 3673.045      110.9727 3469.198       149.3007 522.2376 7.891594 507.4660 10.92626 14.77164       13.47814 
1 1 1 -7  5  2  o 406.9143 5.398157 2245.991       56.16537 2282.204      69.59691 2178.363       95.10876 411.6729 6.278476 402.1556 8.783002 9.517303       10.79631 
1 1 1 -7  5  3  o 612.2362 6.507943 5042.502       107.1721 4913.814      147.5211 5186.333       155.9592 603.9797 9.070856 620.4927 9.334499 -16.51306      13.01589 
1 1 1 -7  5  4  o 80.16550 2.721616 86.52631       5.874862 0.000000      0.000000 86.52631       5.874862 ?        ?        80.16550 2.721616 ?              ?        
1 1 1 -7  5  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  5  6  o 362.3067 5.533918 1767.553       53.98740 0.000000      0.000000 1767.553       53.98740 ?        ?        362.3067 5.533918 ?              ?        
1 1 1 -7  5  7  o 361.3416 5.586255 1758.259       54.34845 1767.114      77.43022 1749.660       76.30282 362.2378 7.938406 360.4454 7.861722 1.792389       11.17251 
1 1 1 -7  5  8  o 490.2392 6.433166 3247.466       80.34534 3204.918      137.7132 3269.422       98.92711 487.7627 10.48537 492.7158 7.456508 -4.953125      12.86633 
1 1 1 -7  5  9  o 270.9874 4.282143 977.9083       30.47824 1037.225      49.46578 941.6086       38.69611 277.5338 6.619202 264.4411 5.434443 13.09274       8.564286 
1 1 1 -7  5  10 o 676.5458 10.45411 6166.612       190.4441 0.000000      0.000000 6166.612       190.4441 ?        ?        676.5458 10.45411 ?              ?        
1 1 1 -7  5  11 o 928.4288 13.88471 11627.92       347.1093 11587.87      489.8751 11668.30       491.9044 926.8239 19.62930 930.0336 19.64259 -3.209717      27.76942 
1 1 1 -7  5  12 o 195.5647 5.441229 515.0172       28.65305 515.0172      28.65305 0.000000       0.000000 195.5647 5.441229 ?        ?        ?              ?        
1 1 1 -7  5  13 o 211.6581 3.642789 601.5645       20.47000 613.6031      31.86619 593.1068       26.70959 213.4513 5.544316 209.8650 4.726544 3.586243       7.285579 
1 1 1 -7  5  14 o 603.2227 12.86172 4915.195       208.9105 4915.195      208.9105 0.000000       0.000000 603.2227 12.86172 ?        ?        ?              ?        
1 1 1 -7  5  15 o 333.4338 4.861111 1482.581       42.37819 1566.776      69.57725 1432.926       53.43308 340.8223 7.581511 326.0454 6.086236 14.77695       9.722221 
1 1 1 -7  5  16 o 44.74980 9.294062 27.73201       12.09860 33.00837      16.52349 21.63382       17.76377 48.43100 12.56343 41.06860 13.69958 7.362404       18.58812 
1 1 1 -7  5  17 o 345.2798 4.978561 1613.731       45.94048 1582.368      68.96973 1638.745       61.59349 342.1831 7.485426 348.3766 6.566025 -6.193481      9.957123 
1 1 1 -7  5  18 o 152.8637 4.364564 316.0005       17.90252 323.1157      24.48280 307.8244       26.24495 154.7350 5.876098 150.9924 6.455164 3.742645       8.729128 
1 1 1 -7  5  19 o 123.9023 5.442585 210.6768       17.66750 224.0637      22.94329 191.1739       27.69276 128.8649 6.612076 118.9397 8.646814 9.925194       10.88517 
1 1 1 -7  5  20 o 253.5950 4.708142 867.4135       32.14574 864.6418      45.08791 870.2787       45.84340 253.1862 6.613583 254.0038 6.702754 -0.8175964     9.416284 
1 1 1 -7  5  21 o 372.6731 5.658041 1861.426       55.89940 1944.068      87.89689 1805.302       72.43507 379.5074 8.601414 365.8388 7.353189 13.66867       11.31608 
1 1 1 -7  5  22 o 430.9626 8.162281 2568.391       89.98403 2708.103      112.8237 2324.167       149.1689 447.7820 9.357299 414.1433 13.37656 33.63867       16.32456 
1 1 1 -7  5  23 o 418.9619 8.106469 2395.248       84.91608 2417.203      102.8448 2348.219       150.5203 422.6418 9.037047 415.2820 13.46073 7.359711       16.21294 
1 1 1 -7  5  24 o 169.1605 11.50725 385.5362       33.98597 382.9987      36.19211 404.4672       98.85441 168.2227 7.989984 170.0983 21.58304 -1.875610      23.01451 
1 1 1 -7  5  25 o 148.8039 18.16311 318.7140       39.11588 318.1356      40.88154 324.9789       134.5513 153.0021 9.923080 144.6057 34.94462 8.396439       36.32621 
1 1 1 -7  5  26 o 149.2144 20.45544 281.5945       47.61173 266.5822      49.73565 446.1881       164.6835 138.5731 13.32925 159.8556 38.67856 -21.28256      40.91087 
1 1 1 -7  5  27 o 122.8573 27.15951 208.8380       61.82494 202.5478      63.79729 305.8745       250.5762 117.3994 20.94995 128.3151 50.11642 -10.91565      54.31902 
1 1 1 -7  5  28 o 74.76147 20.55129 83.81905       43.81379 88.48837      45.25543 14.01362       174.9800 74.38767 21.42735 75.13528 35.07550 -0.7476120     41.10258 
1 1 1 -7  5  29 o 65.20097 20.14289 34.83928       44.54338 23.02454      47.27114 128.4388       133.0519 50.17326 20.95928 80.22868 34.40424 -30.05542      40.28577 
1 1 1 -7  5  30 o 59.17273 17.24070 58.66076       43.18328 72.55174      46.56083 -26.79798      115.4869 63.46821 22.15304 54.87725 26.42366 8.590961       34.48140 
1 1 1 -7  5  31 o 48.51936 15.72526 32.83018       41.59303 32.20428      46.76720 35.19852       90.97308 46.29373 20.12572 50.74498 24.16795 -4.451252      31.45051 
1 1 1 -7  7  1  o 1131.904 23.95303 17300.02       730.0513 0.000000      0.000000 17300.02       730.0513 ?        ?        1131.904 23.95303 ?              ?        
1 1 1 -7  7  2  f 949.0334 12.32621 12129.55       296.7816 12098.85      363.0501 12191.38       515.2683 947.4746 14.23035 950.5923 20.13055 -3.117676      24.65243 
1 1 1 -7  7  3  o 198.7202 3.996905 531.7973       21.37585 530.2084      30.70537 533.2914       29.77608 198.4316 5.746721 199.0088 5.556635 -0.5771332     7.993810 
1 1 1 -7  7  4  f 593.5242 7.752277 4754.332       116.8430 4719.256      201.8683 4772.003       143.2841 591.8154 12.66772 595.2331 8.939797 -3.417725      15.50455 
1 1 1 -7  7  5  o 581.4123 7.159456 4579.751       98.01460 4499.567      192.2914 4607.897       113.9253 577.8786 12.35777 584.9460 7.233042 -7.067383      14.31891 
1 1 1 -7  7  6  o 378.3707 5.124882 1934.510       49.76983 1906.306      83.95242 1949.794       61.80094 376.2215 8.287169 380.5199 6.031624 -4.298401      10.24976 
1 1 1 -7  7  7  o 630.3683 6.868140 5347.377       116.4183 5439.913      169.7405 5265.184       159.9738 635.5072 9.919314 625.2294 9.502241 10.27777       13.73628 
1 1 1 -7  7  8  o 166.4927 3.223606 373.0886       14.36988 374.7358      21.51987 371.7631       19.30434 166.8232 4.790709 166.1623 4.314586 0.6608734      6.447212 
1 1 1 -7  7  9  o 621.6608 6.810829 5197.914       113.9150 5015.719      157.2633 5399.042       165.2322 610.2184 9.571028 633.1031 9.692521 -22.88464      13.62166 
1 1 1 -7  7  10 o 209.5381 3.664618 591.4870       20.59134 588.1617      30.49264 594.2745       27.91845 208.9950 5.418459 210.0812 4.935383 -1.086197      7.329236 
1 1 1 -7  7  11 o 280.1295 4.358909 1065.053       31.83393 1022.948      51.43686 1091.193       40.52826 275.5967 6.931336 284.6622 5.287431 -9.065491      8.717818 
1 1 1 -7  7  12 o 150.7153 6.923947 305.9757       28.09924 305.9757      28.09924 0.000000       0.000000 150.7153 6.923947 ?        ?        ?              ?        
1 1 1 -7  7  13 o 259.5627 6.620814 907.8120       46.27400 907.8120      46.27400 0.000000       0.000000 259.5627 6.620814 ?        ?        ?              ?        
1 1 1 -7  7  14 o 114.0557 4.323528 181.7451       12.39379 156.4469      20.97881 195.3085       15.36099 107.7097 7.233404 120.4017 4.738086 -12.69207      8.647057 
1 1 1 -7  7  15 o 234.2278 3.910982 724.9857       23.81050 795.0103      39.97113 686.4703       29.64407 242.7810 6.114322 225.6746 4.878337 17.10641       7.821963 
1 1 1 -7  7  16 o 372.7170 5.310264 1865.391       51.51248 1919.823      85.04641 1833.851       64.73904 376.8328 8.381541 368.6011 6.522681 8.231689       10.62053 
1 1 1 -7  7  17 o 195.7726 3.829012 518.5679       20.10745 493.9666      29.31368 540.4292       27.63314 191.3553 5.689138 200.1899 5.126307 -8.834610      7.658023 
1 1 1 -7  7  18 o 197.9411 4.056396 526.8331       21.51366 543.5048      32.27074 513.4962       28.86342 200.7376 5.970308 195.1446 5.492979 5.593063       8.112792 
1 1 1 -7  7  19 o 127.4936 5.167305 217.0164       17.63670 189.4259      23.67250 251.4365       26.44056 118.4779 7.420333 136.5093 7.193248 -18.03142      10.33461 
1 1 1 -7  7  20 o 239.9979 4.471070 776.1064       28.83065 785.1548      42.30034 768.2565       39.39944 241.2921 6.510546 238.7037 6.129817 2.588379       8.942140 
1 1 1 -7  7  21 o 391.9930 5.835620 2063.475       60.58321 2128.759      95.32751 2019.242       78.46767 397.0918 8.915465 386.8941 7.532085 10.19763       11.67124 
1 1 1 -7  7  22 o 177.9248 5.212977 425.3263       24.70570 415.0172      32.45429 439.5332       38.09885 175.3986 6.871673 180.4510 7.840959 -5.052368      10.42595 
1 1 1 -7  7  23 o 257.5373 5.082047 893.6359       35.17120 936.1286      51.77808 857.2331       47.92435 263.1892 7.306251 251.8853 7.065939 11.30383       10.16409 
1 1 1 -7  7  24 o 66.43278 16.74570 49.74406       28.83106 48.29306      30.99131 59.07701       78.59905 58.89420 17.93242 73.97135 28.28608 -15.07715      33.49140 
1 1 1 -7  7  25 o 245.9545 11.48474 890.6425       55.05748 918.1581      60.49866 757.9863       132.8371 260.1208 8.637482 231.7881 21.28359 28.33278       22.96949 
1 1 1 -7  7  26 o 79.44037 22.93492 43.52185       55.32422 35.12004      59.24465 100.7755       154.6550 61.83830 24.30552 97.04243 38.90094 -35.20414      45.86983 
1 1 1 -7  7  27 o 208.7902 15.98784 684.5148       57.01133 695.4388      61.14887 611.8896       157.6676 224.5499 10.11329 193.0306 30.33423 31.51927       31.97568 
1 1 1 -7  7  28 o 91.07002 20.96016 115.3490       42.38403 105.0401      44.89169 199.9651       128.6137 81.89998 20.42541 100.2401 36.60759 -18.34010      41.92031 
1 1 1 -7  7  29 o 73.44646 20.13619 61.80202       41.57658 40.10448      44.70335 200.8299       113.1581 54.04373 21.15144 92.84918 34.27071 -38.80545      40.27239 
1 1 1 -7  7  30 o 55.69884 16.24944 53.54664       39.98419 68.31147      43.89169 -18.47597      96.93990 60.61917 21.47984 50.77850 24.38838 9.840679       32.49887 
1 1 1 -7  9  1  o 538.7039 8.263113 3905.645       119.7470 4001.580      173.9277 3819.189       165.1116 544.9810 11.85234 532.4269 11.51687 12.55408       16.52623 
1 1 1 -7  9  2  o 91.07269 3.546783 121.9634       7.149892 93.57599      14.31858 131.3929       8.252377 83.35906 6.379165 98.78631 3.102408 -15.42725      7.093566 
1 1 1 -7  9  3  o 420.4644 5.669983 2385.156       60.20601 2369.550      105.1843 2392.760       73.42336 419.4105 9.313828 421.5182 6.468960 -2.107788      11.33997 
1 1 1 -7  9  4  f 321.5999 3.705418 1393.215       32.07438 1369.535      45.76791 1416.070       44.96286 318.9126 5.329741 324.2873 5.149210 -5.374695      7.410837 
1 1 1 -7  9  5  f 146.8743 2.993639 289.3848       11.58961 295.6712      18.46944 285.3017       14.88490 148.1836 4.628818 145.5650 3.797569 2.618652       5.987277 
1 1 1 -7  9  6  o 154.9285 3.020183 322.4438       12.38237 327.1771      19.46326 319.2254       16.04909 155.8801 4.637045 153.9768 3.870897 1.903320       6.040366 
1 1 1 -7  9  7  o 175.4220 3.120450 418.1434       14.55058 386.9934      21.93187 442.6342       19.44680 169.5312 4.804439 181.3127 3.983240 -11.78154      6.240900 
1 1 1 -7  9  8  o 347.5740 4.054459 1626.387       37.90305 1635.298      54.99274 1618.324       52.31356 348.4791 5.860642 346.6689 5.604231 1.810211       8.108917 
1 1 1 -7  9  9  f 33.85546 8.659470 12.55640       10.12284 14.54822      14.99010 10.88657       13.72510 35.41639 12.55248 32.29454 11.93234 3.121853       17.31894 
1 1 1 -7  9  10 o 184.6491 5.196356 459.1500       25.83625 459.1500      25.83625 0.000000       0.000000 184.6491 5.196356 ?        ?        ?              ?        
1 1 1 -7  9  11 o 490.6491 5.559582 3181.285       72.19540 3575.081      115.5061 2928.804       92.48751 515.0616 8.328413 466.2367 7.367044 48.82492       11.11916 
1 1 1 -7  9  12 o 296.7381 4.008348 1188.319       31.97561 1136.026      45.83469 1237.900       44.63005 290.3600 5.862381 303.1161 5.468080 -12.75610      8.016696 
1 1 1 -7  9  13 o 226.0145 3.791292 690.7426       22.37777 678.6597      36.22208 698.2008       28.45812 224.3837 5.995130 227.6453 4.642630 -3.261612      7.582585 
1 1 1 -7  9  14 o 282.8698 4.088262 1085.760       30.88119 1017.392      45.85935 1142.482       41.77151 274.6368 6.201343 291.1027 5.329060 -16.46582      8.176523 
1 1 1 -7  9  15 o 122.9811 4.729349 188.9286       13.96577 238.4173      28.05404 172.6234       16.10291 132.8253 7.843883 113.1369 5.285873 19.68839       9.458697 
1 1 1 -7  9  16 o 250.1898 5.985139 844.5793       40.32061 844.5793      40.32061 0.000000       0.000000 250.1898 5.985139 ?        ?        ?              ?        
1 1 1 -7  9  17 o 128.9712 4.426956 223.5068       15.06255 228.8254      23.95071 220.0269       19.37336 130.2102 6.831090 127.7322 5.632760 2.477989       8.853912 
1 1 1 -7  9  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  19 o 284.2484 4.415239 1089.413       33.71767 1091.721      49.39181 1087.399       46.14190 284.5151 6.447126 283.9817 6.034229 0.5334167      8.830479 
1 1 1 -7  9  20 o 331.4210 4.782794 1477.689       42.50467 1517.405      63.41390 1445.290       57.27511 335.4352 7.020895 327.4069 6.496728 8.028259       9.565587 
1 1 1 -7  9  21 o 273.1652 4.483707 1002.322       32.82852 1043.789      49.22150 969.0969       44.05932 278.2205 6.570256 268.1100 6.102972 10.11050       8.967415 
1 1 1 -7  9  22 f 210.6650 4.739403 599.2339       26.86426 600.3593      37.29740 598.0205       38.72649 210.8823 6.568331 210.4476 6.834090 0.4346771      9.478806 
1 1 1 -7  9  23 o 172.0350 5.476552 399.7319       25.11693 395.3816      33.17613 405.5736       38.44482 170.9981 7.205283 173.0719 8.249507 -2.073746      10.95310 
1 1 1 -7  9  24 o 107.7714 11.88986 158.5343       34.50353 158.5343      34.50353 0.000000       0.000000 107.7714 11.88986 ?        ?        ?              ?        
1 1 1 -7  9  25 o 99.82506 11.93711 134.6475       30.48848 113.6472      37.67876 174.4743       51.88855 88.62943 16.39206 111.0207 17.35739 -22.39124      23.87422 
1 1 1 -7  9  26 o 64.91410 20.52968 8.209654       54.76813 24.97079      58.07077 -126.6989      164.7500 58.52465 23.70410 71.30355 33.52591 -12.77890      41.05936 
1 1 1 -7  9  27 o 81.97316 18.39491 121.8014       42.21888 132.9509      44.81348 33.79409       125.9039 93.11909 18.52439 70.82722 31.78582 22.29188       36.78983 
1 1 1 -7  9  28 o 94.53223 19.93550 102.7268       38.50937 78.74222      40.83505 295.4784       115.7620 69.66992 20.43690 119.3945 34.23493 -49.72460      39.87101 
1 1 1 -7  9  29 o 124.4055 15.91219 237.4715       41.74515 215.7659      46.35876 330.5281       95.98866 119.7437 14.37791 129.0672 28.39131 -9.323540      31.82437 
1 1 1 -7  9  30 o 40.96207 13.88534 -6.665043      34.58089 -2.416703     37.52906 -30.56209      89.00823 36.69157 16.81237 45.23259 22.10328 -8.541019      27.77068 
1 1 1 -7  11 1  o 389.3873 4.315541 2041.472       45.23816 2063.833      64.78842 2020.197       63.19419 391.4668 6.146376 387.3079 6.059509 4.158905       8.631083 
1 1 1 -7  11 2  o 865.3212 9.200210 10093.13       214.3499 10165.50      305.4722 10022.92       300.8536 868.3725 13.06418 862.2700 12.95772 6.102539       18.40042 
1 1 1 -7  11 3  o 1144.173 12.11759 17638.45       372.9127 18157.61      543.0154 17175.06       513.0186 1160.049 17.38411 1128.296 16.88599 31.75305       24.23518 
1 1 1 -7  11 4  o 760.4249 8.090889 7786.843       165.5644 7946.618      239.2389 7639.991       229.3603 767.8972 11.57032 752.9526 11.31272 14.94458       16.18178 
1 1 1 -7  11 5  o 800.7408 8.510698 8640.667       183.4744 8718.621      262.1799 8565.852       256.8463 804.2744 12.10631 797.2073 11.96517 7.067078       17.02140 
1 1 1 -7  11 6  o 289.0521 3.470559 1125.324       26.99717 1117.905      38.76118 1132.313       37.62374 288.1256 4.996107 289.9785 4.818511 -1.852905      6.941119 
1 1 1 -7  11 7  o 397.5159 4.463545 2127.544       47.74245 2146.236      68.97099 2110.349       66.15318 399.1891 6.416591 395.8426 6.206471 3.346497       8.927090 
1 1 1 -7  11 8  o 669.1139 7.183455 6035.026       129.4207 6049.340      183.8323 6020.959       182.2353 669.8979 10.19130 668.3299 10.12647 1.568054       14.36691 
1 1 1 -7  11 9  o 655.2366 7.058635 5789.180       124.5305 5726.036      174.9450 5854.039       177.3040 651.6163 9.970715 658.8569 9.994107 -7.240540      14.11727 
1 1 1 -7  11 10 o 539.6816 5.930319 3923.170       86.11285 3800.486      118.9727 4058.166       124.8000 530.8385 8.323419 548.5247 8.449581 -17.68616      11.86064 
1 1 1 -7  11 11 o 42.76494 9.725574 23.78999       12.60562 26.60439      19.36291 21.71976       16.60684 44.77505 14.25945 40.75483 13.22934 4.020229       19.45115 
1 1 1 -7  11 12 o 343.6650 4.260960 1590.761       39.31410 1618.050      58.07898 1567.682       53.41097 346.3624 6.227374 340.9676 5.817467 5.394745       8.521919 
1 1 1 -7  11 13 o 415.4429 4.913011 2327.394       54.81944 2358.685      80.69241 2300.573       74.70599 418.0001 7.169237 412.8858 6.719579 5.114227       9.826021 
1 1 1 -7  11 14 o 69.59167 9.111367 70.27216       13.95249 61.54042      28.80038 72.94994       15.94905 65.73692 16.34108 73.44643 8.064564 -7.709503      18.22273 
1 1 1 -7  11 15 o 144.8049 4.814829 299.3267       17.19305 239.8291      29.45043 330.0888       21.17631 133.1629 8.213441 156.4469 5.026896 -23.28401      9.629658 
1 1 1 -7  11 16 o 110.9352 5.681936 157.6024       14.64081 183.5055      30.49503 149.8433       16.69018 116.4662 9.724015 105.4043 5.880570 11.06199       11.36387 
1 1 1 -7  11 17 o 182.1242 4.512758 439.7337       20.26676 466.2357      37.56905 428.8558       24.06934 185.8681 7.506576 178.3802 5.011114 7.487976       9.025516 
1 1 1 -7  11 18 o 231.4779 4.230341 702.6509       25.25016 790.0081      43.39856 657.9460       31.04589 242.0154 6.659612 220.9404 5.218498 21.07501       8.460683 
1 1 1 -7  11 19 o 228.6506 4.276724 705.6688       26.05870 698.3172      39.70939 711.2294       34.53512 227.5822 6.479948 229.7190 5.583167 -2.136810      8.553449 
1 1 1 -7  11 20 o 211.4555 4.394243 603.1183       24.95217 598.9465      36.59447 606.7432       34.11161 210.7604 6.448266 212.1506 5.971379 -1.390152      8.788486 
1 1 1 -7  11 21 o 203.1230 4.703048 556.6058       25.64908 562.3777      37.82050 551.6905       34.90162 204.0775 6.882543 202.1685 6.411337 1.908905       9.406096 
1 1 1 -7  11 22 o 213.1346 4.720522 613.8286       27.08961 616.5498      38.16067 611.0643       38.46211 213.6155 6.634373 212.6536 6.717025 0.9618835      9.441045 
1 1 1 -7  11 23 o 22.90718 8.180521 -97.17597      22.11889 -100.8899     28.40027 -91.45004      35.26389 20.31765 10.29451 25.49672 12.71639 -5.179070      16.36104 
1 1 1 -7  11 24 o 249.4431 7.610803 842.5990       51.11935 842.5990      51.11935 0.000000       0.000000 249.4431 7.610803 ?        ?        ?              ?        
1 1 1 -7  11 25 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 26 o 38.58511 12.72844 -49.23291      31.62838 -77.16633     40.00367 -2.655989      51.65628 29.44739 14.47730 47.72283 20.93944 -18.27544      25.45687 
1 1 1 -7  11 27 o 64.85662 18.39482 45.57720       34.42811 41.72752      36.49719 76.67094       103.7250 54.77374 19.56796 74.93951 31.15402 -20.16577      36.78964 
1 1 1 -7  11 28 o 43.60770 14.68671 -18.92691      35.11678 -12.11744     37.91182 -60.06675      93.18569 37.40291 17.04655 49.81250 23.92098 -12.40960      29.37343 
1 1 1 -7  11 29 o 41.90977 14.54087 -63.32743      38.60950 -90.41634     43.27141 42.45992       85.51102 28.07487 14.01565 55.74466 25.48154 -27.66979      29.08174 
1 1 1 -7  13 1  f 411.3154 4.554320 2280.229       50.44053 2271.948      71.19967 2288.573       71.46844 410.5657 6.440387 412.0651 6.441175 -1.499390      9.108640 
1 1 1 -7  13 2  o 353.7480 4.001641 1684.803       38.09295 1718.194      55.04413 1654.114       52.77088 357.1063 5.724402 350.3898 5.593189 6.716492       8.003283 
1 1 1 -7  13 3  o 73.44614 3.946772 72.79850       7.788609 70.34348      11.27298 75.04081       10.77351 72.25746 5.793921 74.63482 5.360831 -2.377357      7.893543 
1 1 1 -7  13 4  o 125.9546 3.029703 214.0798       10.23185 190.1227      14.38731 238.5958       14.55417 118.8087 4.497259 133.1005 4.060920 -14.29181      6.059407 
1 1 1 -7  13 5  o 211.2910 3.023073 600.8723       17.19031 574.2758      23.98507 628.9641       24.65012 206.4860 4.313868 216.0960 4.236322 -9.609955      6.046146 
1 1 1 -7  13 6  o 168.3574 3.086264 382.1530       13.95527 376.6619      20.39960 386.9832       19.13273 167.2162 4.530644 169.4986 4.192060 -2.282333      6.172528 
1 1 1 -7  13 7  o 132.6997 5.097191 237.2682       18.21311 237.2682      18.21311 0.000000       0.000000 132.6997 5.097191 ?        ?        ?              ?        
1 1 1 -7  13 8  o 67.55334 6.058853 60.68265       10.91140 74.24146      16.48369 50.10776       14.55732 74.17735 8.252771 60.92934 8.873024 13.24801       12.11771 
1 1 1 -7  13 9  o 284.6768 3.653207 1088.909       27.88123 1126.900      41.70618 1058.211       37.48997 289.1406 5.356831 280.2131 4.968707 8.927521       7.306414 
1 1 1 -7  13 10 o 205.7534 3.485596 570.2030       19.22914 575.3448      28.59993 565.9611       25.97711 206.5885 5.141330 204.9183 4.707893 1.670212       6.971193 
1 1 1 -7  13 11 o 348.2960 4.223961 1634.970       39.59677 1577.136      55.09737 1696.748       56.94489 341.9301 5.984256 354.6618 5.962892 -12.73172      8.447923 
1 1 1 -7  13 12 o 99.53053 5.839755 135.7680       15.43936 114.9826      22.44272 154.4437       21.27328 92.15633 9.044134 106.9047 7.390167 -14.74840      11.67951 
1 1 1 -7  13 13 o 45.26412 10.84073 24.93101       15.76472 33.61189      24.02624 18.36817       20.89054 49.98837 15.88024 40.53987 14.76156 9.448502       21.68146 
1 1 1 -7  13 14 o 190.3084 4.360156 490.0227       21.99393 480.4836      34.08785 496.8262       28.78778 188.6807 6.709477 191.9361 5.570166 -3.255356      8.720311 
1 1 1 -7  13 15 o 466.3991 5.442594 2933.717       68.15546 2977.906      100.5908 2896.215       92.66858 469.5976 7.955164 463.2006 7.429849 6.397034       10.88519 
1 1 1 -7  13 16 o 347.9913 4.662560 1625.469       43.09996 1680.464      67.15939 1586.958       56.19960 352.9243 7.067109 343.0582 6.083900 9.866150       9.325120 
1 1 1 -7  13 17 o 157.8621 5.156840 310.1649       19.54386 394.5946      39.32950 282.4796       22.52135 170.9651 8.543340 144.7592 5.777831 26.20586       10.31368 
1 1 1 -7  13 18 o 499.2510 8.059744 3363.263       108.3487 0.000000      0.000000 3363.263       108.3487 ?        ?        499.2510 8.059744 ?              ?        
1 1 1 -7  13 19 o 207.5409 4.896765 588.7296       26.09505 554.2874      43.43115 608.1881       32.64446 202.6683 7.958518 212.4136 5.707471 -9.745361      9.793530 
1 1 1 -7  13 20 f 294.1330 6.092816 1167.483       48.25532 0.000000      0.000000 1167.483       48.25532 ?        ?        294.1330 6.092816 ?              ?        
1 1 1 -7  13 21 o 176.0173 5.084921 417.5650       23.88228 428.4953      36.51028 409.3904       31.57417 177.9790 7.618387 174.0557 6.736904 3.923325       10.16984 
1 1 1 -7  13 22 o 133.4262 6.816240 238.2996       24.24288 196.0895      32.42555 291.7989       36.50508 120.1686 10.02105 146.6838 9.242465 -26.51525      13.63248 
1 1 1 -7  13 23 o 32.52412 10.98534 -49.23621      26.60203 -53.62512     35.33013 -43.49042      40.42426 30.13199 14.53551 34.91626 16.47513 -4.784273      21.97069 
1 1 1 -7  13 24 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 25 o 39.36216 12.53886 -25.33406      30.07810 7.695569      39.48955 -70.97353      46.41952 44.95438 18.98962 33.76994 16.37945 11.18444       25.07772 
1 1 1 -7  13 26 o 75.75293 13.79467 90.76781       28.17663 98.87765      36.08754 78.10310       45.09713 80.98315 17.08650 70.52271 21.66155 10.46044       27.58933 
1 1 1 -7  13 27 o 45.86454 13.74028 14.46929       29.71599 24.88327      40.04628 1.708892       44.32878 48.19864 19.62453 43.53044 19.23691 4.668194       27.48055 
1 1 1 -7  13 28 o 66.60551 14.73873 81.71813       29.88838 91.94139      39.48957 68.00783       45.73109 72.23167 19.74066 60.97935 21.89126 11.25232       29.47746 
1 1 1 -7  13 29 o 48.77945 15.09397 41.26743       35.95390 48.21581      39.74033 9.928627       84.39778 50.22131 19.85325 47.33759 22.74116 2.883720       30.18794 
1 1 1 -7  15 1  o 126.4930 2.955946 215.5641       10.06296 214.1745      13.98962 217.0541       14.48570 126.0723 4.121003 126.9137 4.238843 -0.8414841     5.911891 
1 1 1 -7  15 2  o 125.4287 3.095799 211.8492       10.44882 201.2972      14.57589 223.0038       14.98638 122.2168 4.429153 128.6406 4.326486 -6.423752      6.191597 
1 1 1 -7  15 3  o 254.9530 3.342733 876.0914       22.94797 873.5414      32.41676 878.6531       32.49002 254.5811 4.728900 255.3250 4.725777 -0.7439880     6.685467 
1 1 1 -7  15 4  o 361.0547 4.178690 1754.608       40.56059 1817.426      59.41397 1699.778       55.50771 367.0842 6.010900 355.0252 5.806451 12.05899       8.357380 
1 1 1 -7  15 5  o 479.7905 5.296417 3107.518       68.41585 3128.311      97.70219 3087.512       95.83409 481.3566 7.537962 478.2244 7.442262 3.132172       10.59283 
1 1 1 -7  15 6  o 126.0359 3.837562 214.3687       13.00681 210.1253      18.76857 218.2898       18.04176 124.8293 5.583817 127.2425 5.265786 -2.413231      7.675123 
1 1 1 -7  15 7  o 451.5262 5.050558 2750.777       61.36697 2795.906      88.63850 2709.234       85.04501 455.0649 7.233786 447.9876 7.050168 7.077332       10.10112 
1 1 1 -7  15 8  o 133.8251 3.927361 243.0703       14.05311 225.3669      20.65191 258.3369       19.17804 129.2411 5.934393 138.4091 5.145837 -9.168045      7.854722 
1 1 1 -7  15 9  o 301.3907 3.824464 1225.353       31.02912 1227.648      44.41354 1223.164       43.36872 301.6598 5.467825 301.1216 5.348737 0.5381775      7.648928 
1 1 1 -7  15 10 o 269.4221 3.688814 977.6904       26.74470 940.0588      37.07891 1018.501       38.61316 264.0247 5.215537 274.8194 5.218006 -10.79468      7.377629 
1 1 1 -7  15 11 o 270.1630 3.798319 984.6193       27.63023 977.1003      39.13242 992.0943       39.01792 269.1317 5.399934 271.1944 5.343184 -2.062683      7.596637 
1 1 1 -7  15 12 o 309.3904 4.054546 1290.570       33.77297 1262.432      47.34301 1319.728       48.19272 305.9563 5.746627 312.8246 5.721333 -6.868225      8.109092 
1 1 1 -7  15 13 o 53.80243 10.64132 40.09224       16.28782 30.03354      22.74973 50.67075       23.33017 47.73138 15.48335 59.87348 14.60194 -12.14210      21.28264 
1 1 1 -7  15 14 f 306.4941 4.282558 1262.357       35.23518 1319.485      52.32491 1214.960       47.66111 312.8047 6.212293 300.1835 5.896495 12.62115       8.565117 
1 1 1 -7  15 15 o 171.9318 4.722725 399.8031       21.79306 381.4000      31.66126 416.3726       30.04251 168.1467 6.992886 175.7170 6.349494 -7.570282      9.445450 
1 1 1 -7  15 16 o 131.9830 6.056067 245.3441       20.07368 204.4056      33.66211 267.9360       25.00644 122.9994 10.16378 140.9666 6.587979 -17.96725      12.11213 
1 1 1 -7  15 17 o 188.2579 4.927499 485.3793       23.67615 454.1514      39.84227 502.4267       29.43760 183.4487 8.065777 193.0672 5.662528 -9.618591      9.854998 
1 1 1 -7  15 18 o 161.5549 9.395568 352.9819       40.87205 352.9819      40.87205 0.000000       0.000000 161.5549 9.395568 ?        ?        ?              ?        
1 1 1 -7  15 19 o 233.7330 4.892443 723.0185       29.11072 783.3199      51.06160 693.9811       35.43310 240.6927 7.878585 226.7734 5.802747 13.91927       9.784885 
1 1 1 -7  15 20 o 242.4504 5.141770 808.3654       32.21361 744.6636      52.50532 846.8186       40.79371 234.4946 8.315475 250.4062 6.050131 -15.91156      10.28354 
1 1 1 -7  15 21 o 82.21230 11.67713 116.4539       25.20809 31.44799      42.22598 163.5240       31.42152 54.81129 20.78672 109.6133 10.64585 -54.80200      23.35427 
1 1 1 -7  15 22 o 216.8793 6.185484 648.9813       35.41080 572.4896      53.69935 707.8358       47.10332 205.1785 9.719721 228.5801 7.652965 -23.40163      12.37097 
1 1 1 -7  15 23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 24 o 55.81721 13.18556 37.33974       27.72048 74.30537      36.24820 -14.73169      43.02166 70.45062 18.77011 41.18380 18.52348 29.26682       26.37113 
1 1 1 -7  15 25 o 139.5881 7.490446 271.3311       27.96460 272.9847      37.53350 269.2679       41.92590 140.3402 9.932382 138.8360 11.21494 1.504242       14.98089 
1 1 1 -7  15 26 o 101.7368 11.27658 160.9613       28.88817 200.3833      39.79794 117.0582       41.99896 117.9255 12.53342 85.54819 18.74989 32.37730       22.55316 
1 1 1 -7  15 27 o 88.69810 12.76056 130.7524       29.76560 141.2889      40.34246 118.1630       44.09757 95.10228 15.75390 82.29392 20.07842 12.80836       25.52113 
1 1 1 -7  15 28 o 49.37564 14.47383 36.26799       31.32706 11.22918      39.53216 78.53217       51.36059 39.96230 17.88124 58.78899 22.76463 -18.82668      28.94765 
1 1 1 -7  17 1  o 205.6439 3.218520 570.2104       17.81389 571.8875      24.84146 568.4351       25.55915 205.9597 4.479312 205.3280 4.622905 0.6317444      6.437040 
1 1 1 -7  17 2  o 217.6466 3.289433 638.4433       19.27355 651.4224      27.60935 626.1064       26.91765 219.8024 4.664878 215.4908 4.639007 4.311615       6.578866 
1 1 1 -7  17 3  o 206.8828 3.285350 577.0009       18.29687 574.4872      25.56116 579.6422       26.20212 206.4238 4.598725 207.3418 4.693169 -0.9180450     6.570701 
1 1 1 -7  17 4  f 189.0411 3.394852 480.4788       17.25354 456.9576      23.60866 507.4420       25.27708 184.0920 4.762697 193.9901 4.839092 -9.898117      6.789705 
1 1 1 -7  17 5  o 209.9020 3.403661 593.2761       19.21756 576.5552      26.45863 611.9470       27.95884 206.7803 4.751984 213.0238 4.874249 -6.243530      6.807323 
1 1 1 -7  17 6  o 220.3645 5.058575 654.9222       30.01603 654.9222      30.01603 0.000000       0.000000 220.3645 5.058575 ?        ?        ?              ?        
1 1 1 -7  17 7  o 480.5998 5.377468 3120.613       69.58905 3102.098      98.28662 3139.224       98.54144 479.1676 7.617695 482.0320 7.592059 -2.864471      10.75494 
1 1 1 -7  17 8  o 111.7609 4.959070 169.2056       14.86770 158.5942      21.51700 178.9010       20.56735 108.3805 7.373051 115.1413 6.633824 -6.760773      9.918140 
1 1 1 -7  17 9  o 356.7244 4.305201 1716.359       41.34679 1723.782      59.05260 1709.220       57.91051 357.4758 6.134922 355.9730 6.041669 1.502808       8.610402 
1 1 1 -7  17 10 o 369.9044 4.430925 1844.869       44.12043 1868.360      63.31361 1822.693       61.51660 372.1875 6.317598 367.6214 6.214528 4.566040       8.861851 
1 1 1 -7  17 11 o 95.47878 6.309825 122.9581       16.19613 133.1823      23.36539 113.5022       22.47039 99.29996 8.738572 91.65759 9.104556 7.642372       12.61965 
1 1 1 -7  17 12 o 208.6647 4.049570 587.0786       22.74993 590.8151      31.96737 583.2442       32.38317 209.3403 5.671143 207.9891 5.782230 1.351242       8.099139 
1 1 1 -7  17 13 o 150.2893 5.006064 305.4333       20.18046 314.9435      27.61966 294.5415       29.55777 152.8195 6.712066 147.7592 7.429057 5.060303       10.01213 
1 1 1 -7  17 14 o 744.3363 8.121050 7492.300       162.7563 7536.781      231.7135 7448.982       228.6612 746.5044 11.52751 742.1682 11.44212 4.336182       16.24210 
1 1 1 -7  17 15 o 243.5218 4.581007 799.5179       30.03531 816.8408      42.72416 782.5912       42.23278 246.1312 6.446493 240.9123 6.510394 5.218887       9.162014 
1 1 1 -7  17 16 o 259.9527 6.245510 911.3513       43.71652 0.000000      0.000000 911.3513       43.71652 ?        ?        259.9527 6.245510 ?              ?        
1 1 1 -7  17 17 o 182.5363 5.278144 452.6913       24.95254 440.8653      41.10860 459.5904       31.39834 180.5467 8.455896 184.5258 6.319259 -3.979111      10.55629 
1 1 1 -7  17 18 o 177.9030 5.572191 439.8980       25.39560 387.4189      41.61068 471.0487       32.05871 169.0636 9.140527 186.7424 6.375580 -17.67879      11.14438 
1 1 1 -7  17 19 o 166.6909 6.237256 397.9918       25.17190 324.6586      44.75391 431.9260       30.44385 154.5599 10.75352 178.8219 6.322598 -24.26195      12.47451 
1 1 1 -7  17 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 21 f 133.0964 10.84685 251.6335       38.87345 0.000000      0.000000 251.6335       38.87345 ?        ?        133.0964 10.84685 ?              ?        
1 1 1 -7  17 22 o 168.7504 12.65763 388.9503       57.51492 0.000000      0.000000 388.9503       57.51492 ?        ?        168.7504 12.65763 ?              ?        
1 1 1 -7  17 23 o 80.77423 13.14967 102.1724       30.43056 47.35356      44.49477 150.3457       41.71065 58.96497 21.53220 102.5835 15.10032 -43.61852      26.29934 
1 1 1 -7  17 24 o 87.99805 12.32579 117.8239       28.56130 70.41433      39.74601 168.4449       41.07008 67.35007 20.26360 108.6460 14.03874 -41.29596      24.65157 
1 1 1 -7  17 25 o 84.22453 13.52476 113.9815       30.19171 143.5952      44.44183 88.60011       41.14371 95.38967 17.96146 73.05939 20.22529 22.33028       27.04952 
1 1 1 -7  17 26 o 41.06609 13.02586 -2.392541      30.26097 20.14133      44.47042 -21.82470      41.29656 46.08579 19.82969 36.04638 16.89602 10.03942       26.05172 
1 1 1 -7  17 27 o 113.2255 16.53947 220.5596       50.42535 0.000000      0.000000 220.5596       50.42535 ?        ?        113.2255 16.53947 ?              ?        
1 1 1 -7  19 1  o 469.7115 5.292986 2977.399       66.94440 2969.688      94.54894 2985.150       94.79890 469.1017 7.485249 470.3213 7.485578 -1.219543      10.58597 
1 1 1 -7  19 2  o 329.1293 4.071510 1460.477       36.08252 1461.987      50.88345 1458.948       51.17458 329.3020 5.738504 328.9565 5.777400 0.3455200      8.143021 
1 1 1 -7  19 3  o 152.9570 3.854616 316.9643       15.79602 341.5100      21.88845 290.2884       22.81845 159.1793 5.106756 146.7348 5.775233 12.44446       7.709233 
1 1 1 -7  19 4  f 303.8458 3.941257 1244.440       32.24233 1269.948      45.85477 1219.496       45.34460 306.9268 5.548381 300.7647 5.599062 6.162079       7.882514 
1 1 1 -7  19 5  o 179.3826 3.718058 432.9149       17.94122 453.0792      26.08136 414.8025       24.71886 183.3393 5.283132 175.4260 5.233005 7.913284       7.436116 
1 1 1 -7  19 6  o 215.9566 3.714811 628.6207       21.60158 626.6993      30.51158 630.5517       30.58705 215.6257 5.255098 216.2876 5.251975 -0.6618652     7.429623 
1 1 1 -7  19 7  o 267.9368 5.359384 967.7158       38.66611 0.000000      0.000000 967.7158       38.66611 ?        ?        267.9368 5.359384 ?              ?        
1 1 1 -7  19 8  o 233.0195 3.867937 729.5839       24.20049 761.9937      35.87123 702.5096       32.78582 237.7466 5.603362 228.2924 5.333487 9.454163       7.735874 
1 1 1 -7  19 9  o 701.3514 7.612673 6651.933       143.7654 6652.426      203.6320 6651.442       202.9993 701.3726 10.78236 701.3303 10.74951 0.4235840E-01  15.22535 
1 1 1 -7  19 10 o 235.4937 3.999942 747.7807       25.35339 732.5082      36.12632 762.6031       35.58992 233.1188 5.755237 237.8687 5.556562 -4.749969      7.999883 
1 1 1 -7  19 11 o 165.5158 4.661397 369.4057       20.77356 365.2559      29.41555 373.5345       29.34108 164.5867 6.637412 166.4449 6.546697 -1.858185      9.322793 
1 1 1 -7  19 12 o 228.0967 4.239370 701.0748       26.01767 694.2080      36.01583 708.5693       37.62605 226.9340 5.894005 229.2595 6.095060 -2.325485      8.478741 
1 1 1 -7  19 13 o 244.4162 4.325846 806.1526       28.40838 817.8628      39.07718 793.0266       41.37199 246.3126 5.891870 242.5197 6.335428 3.792877       8.651692 
1 1 1 -7  19 14 f 103.0359 7.771586 144.1197       21.40391 145.1972      28.65428 142.7597       32.19326 103.5187 10.27986 102.5530 11.65824 0.9657059      15.54317 
1 1 1 -7  19 15 o 131.2113 6.634376 231.6118       23.29137 220.2035      30.94684 246.5170       35.37309 127.5396 9.011307 134.8829 9.739410 -7.343323      13.26875 
1 1 1 -7  19 16 o 37.85345 11.77412 -9.001126      23.42257 -17.90413     33.32038 -0.3044336     32.93206 35.62908 16.13737 40.07781 17.14948 -4.448730      23.54824 
1 1 1 -7  19 17 o 319.1903 6.696234 1376.703       57.55243 0.000000      0.000000 1376.703       57.55243 ?        ?        319.1903 6.696234 ?              ?        
1 1 1 -7  19 18 o 147.3694 11.87145 296.7385       47.10798 296.7385      47.10798 0.000000       0.000000 147.3694 11.87145 ?        ?        ?              ?        
1 1 1 -7  19 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  19 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  19 21 o 146.0768 8.948356 311.9427       33.61406 226.6981      50.03561 382.0609       45.37963 126.0382 14.74327 166.1154 10.14536 -40.07721      17.89671 
1 1 1 -7  19 22 o 116.9776 8.657037 194.2099       27.09198 177.4001      39.31273 209.4134       37.38744 111.7555 13.06414 122.1997 11.36245 -10.44419      17.31407 
1 1 1 -7  19 23 o 110.2241 9.431991 175.3787       27.72441 171.9267      41.88254 178.0712       36.98846 108.7142 14.30749 111.7339 12.29413 -3.019753      18.86398 
1 1 1 -7  19 24 o 77.18498 14.77761 98.69663       30.42531 114.6785      51.41224 90.08282       37.74425 80.43439 22.73081 73.93557 18.88972 6.498825       29.55523 
1 1 1 -7  19 25 o 58.11931 14.76284 62.99981       30.09038 47.11984      49.59647 72.24995       37.85297 53.30976 21.78771 62.92886 19.92639 -9.619095      29.52567 
1 1 1 -7  19 26 f 62.79311 15.08174 84.20364       31.42159 107.5212      45.05368 62.12080       43.84465 71.17287 21.61035 54.41335 21.04347 16.75953       30.16347 
1 1 1 -7  21 1  o 608.1932 6.690092 4995.456       109.5562 4968.337      154.0480 5023.209       155.8392 606.5290 9.432378 609.8575 9.489971 -3.328552      13.38018 
1 1 1 -7  21 2  o 109.4234 5.117949 161.3574       15.04188 159.5983      20.50745 163.4057       22.12995 108.7848 7.000998 110.0619 7.467238 -1.277092      10.23590 
1 1 1 -7  21 3  o 265.0438 3.936983 946.7747       28.07640 946.4036      38.95836 947.1755       40.49844 264.9952 5.459832 265.0924 5.673586 -0.9716797E-01 7.873966 
1 1 1 -7  21 4  o 588.4195 6.498500 4672.994       102.9299 4596.080      143.3559 4754.839       147.8792 583.4362 9.125128 593.4028 9.254947 -9.966675      12.99700 
1 1 1 -7  21 5  o 490.4631 5.554477 3245.368       73.35171 3223.403      103.0966 3267.885       104.3854 488.7856 7.833259 492.1407 7.877113 -3.355103      11.10895 
1 1 1 -7  21 6  o 368.7990 4.546575 1832.380       45.12797 1788.108      62.63485 1880.169       65.07631 364.1740 6.387394 373.4240 6.471982 -9.249939      9.093149 
1 1 1 -7  21 7  o 238.0065 4.043652 763.5670       25.91371 771.8430      36.67293 755.3140       36.62216 239.2958 5.691505 236.7171 5.745541 2.578720       8.087303 
1 1 1 -7  21 8  o 405.4247 4.895919 2215.167       53.42495 2160.436      74.24574 2273.933       76.93456 400.2390 6.889200 410.6105 6.958379 -10.37149      9.791839 
1 1 1 -7  21 9  o 711.5754 7.762433 6844.618       148.6801 6727.569      206.9910 6969.377       213.7002 705.3168 10.89893 717.8341 11.05599 -12.51727      15.52487 
1 1 1 -7  21 10 o 188.7546 4.651254 480.5518       23.63354 489.4442      33.91854 472.1608       32.94831 190.4487 6.614177 187.0605 6.541353 3.388138       9.302507 
1 1 1 -7  21 11 o 186.0516 4.781793 466.8949       23.94345 484.4523      34.50719 450.5934       33.25009 189.4210 6.765472 182.6822 6.759480 6.738831       9.563586 
1 1 1 -7  21 12 o 172.1819 5.085803 401.3785       23.52752 427.4557      33.04671 374.5747       33.50388 177.8891 6.899148 166.4747 7.474176 11.41438       10.17161 
1 1 1 -7  21 13 o 174.0519 7.254247 409.5872       33.99808 409.5872      33.99808 0.000000       0.000000 174.0519 7.254247 ?        ?        ?              ?        
1 1 1 -7  21 14 o 224.3254 4.941195 678.7906       29.75645 756.6000      43.12298 608.0662       41.11290 236.5984 6.768832 212.0524 7.200316 24.54599       9.882390 
1 1 1 -7  21 15 o 113.8054 13.13403 177.0275       40.24799 177.0275      40.24799 0.000000       0.000000 113.8054 13.13403 ?        ?        ?              ?        
1 1 1 -7  21 16 o 247.4241 5.876822 832.0140       39.06349 793.1227      56.28496 868.1559       54.25896 241.7600 8.646186 253.0883 7.961887 -11.32829      11.75364 
1 1 1 -7  21 17 o 145.1719 8.723763 291.0920       34.01074 320.3168      50.08139 266.0773       46.33381 151.9341 12.24159 138.4097 12.43220 13.52434       17.44753 
1 1 1 -7  21 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  21 19 o 121.0911 10.48929 224.5745       31.50520 179.8737      52.47100 249.7751       39.39742 109.0493 17.86952 133.1328 10.99004 -24.08347      20.97858 
1 1 1 -7  21 20 o 51.59417 14.24867 22.82248       28.05990 56.87468      48.12597 5.284472       34.53799 62.11588 22.43756 41.07246 17.56855 21.04341       28.49733 
1 1 1 -7  21 21 o 93.68717 11.95432 170.8026       29.04744 29.36181      48.68423 248.9873       36.19611 53.53519 21.69670 133.8392 10.04374 -80.30397      23.90865 
1 1 1 -7  21 22 o 81.50101 13.60443 118.5852       30.51467 65.92162      52.38695 145.6292       37.54078 63.40389 23.33187 99.59812 13.99809 -36.19423      27.20887 
1 1 1 -7  21 23 o 71.93594 13.09419 99.53156       29.57620 32.66740      53.18525 129.4660       35.58610 51.58418 21.92623 92.28772 14.32033 -40.70354      26.18838 
1 1 1 -7  21 24 o 89.21428 12.51581 168.2206       31.37432 58.14078      50.60509 236.9519       39.98689 53.86321 22.01036 124.5653 11.92167 -70.70213      25.03163 
1 1 1 -7  23 1  o 277.6050 4.077447 1040.233       30.46951 1050.090      42.68778 1029.995       43.50464 278.9554 5.683102 276.2546 5.848475 2.700745       8.154895 
1 1 1 -7  23 2  o 243.2387 4.067499 798.3730       26.59352 798.5582      36.54254 798.1647       38.77446 243.2850 5.578275 243.1924 5.921235 0.9262085E-01  8.134997 
1 1 1 -7  23 3  o 105.1040 6.304710 147.3032       17.70905 130.3249      23.40831 170.0250       27.07969 98.13059 8.858951 112.0774 8.973097 -13.94677      12.60942 
1 1 1 -7  23 4  o 317.6823 4.355963 1361.157       37.20669 1344.035      51.10671 1380.466       54.27227 315.5771 6.014355 319.7876 6.302792 -4.210571      8.711926 
1 1 1 -7  23 5  o 412.9815 5.010274 2299.538       55.63544 2223.240      76.24104 2386.446       81.36993 405.6894 6.979298 420.2735 7.190325 -14.58411      10.02055 
1 1 1 -7  23 6  o 587.8759 6.577505 4679.445       104.0834 4593.820      144.9016 4770.716       149.6034 582.3467 9.240769 593.4050 9.362823 -11.05823      13.15501 
1 1 1 -7  23 7  o 181.4167 4.578079 444.7174       22.35378 455.2873      31.42002 433.8839       31.80963 183.6110 6.355127 179.2224 6.591479 4.388626       9.156158 
1 1 1 -7  23 8  o 265.7758 4.303664 953.7789       30.79070 955.7231      44.08120 951.9265       43.02717 266.0315 6.153709 265.5201 6.018137 0.5114746      8.607328 
1 1 1 -7  23 9  f 123.9076 6.382636 206.8540       21.22009 232.3405      31.31350 185.2104       28.85634 130.9362 8.881546 116.8790 9.168985 14.05717       12.76527 
1 1 1 -7  23 10 o 227.0714 4.656478 696.8937       28.44476 700.2835      39.44226 693.2202       41.06046 227.6658 6.433992 226.4770 6.733119 1.188828       9.312957 
1 1 1 -7  23 11 o 208.5781 5.165119 588.3071       28.98873 588.5682      40.25742 588.0258       41.77731 208.6433 7.165690 208.5128 7.440881 0.1305542      10.33024 
1 1 1 -7  23 12 o 188.6270 6.381653 481.4774       32.18207 471.1369      42.81998 494.9002       48.78606 186.3878 8.531895 190.8661 9.492562 -4.478287      12.76331 
1 1 1 -7  23 13 o 322.6515 7.267578 1409.359       63.14031 1409.359      63.14031 0.000000       0.000000 322.6515 7.267578 ?        ?        ?              ?        
1 1 1 -7  23 14 o 46.28220 13.22181 -7.225709      30.17191 45.19818      41.76610 -64.44416      43.63424 59.14062 20.95356 33.42379 16.13112 25.71684       26.44361 
1 1 1 -7  23 15 o 48.41825 20.78366 -0.3876587     48.64213 0.000000      0.000000 -0.3876587     48.64213 ?        ?        48.41825 20.78366 ?              ?        
1 1 1 -7  23 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  23 17 o 38.05416 12.49354 -38.51362      29.29889 -5.809635     49.08134 -56.61935      36.51945 46.05432 20.30261 30.05401 14.56565 16.00031       24.98708 
1 1 1 -7  23 18 o 60.46229 13.73935 56.95192       28.14563 12.49871      48.20560 79.94402       34.66852 48.83852 20.81952 72.08606 17.93396 -23.24754      27.47871 
1 1 1 -7  23 19 o 125.5386 9.593685 234.3168       29.25550 201.4579      51.99050 249.5423       35.39019 117.0858 16.49060 133.9915 9.808946 -16.90569      19.18737 
1 1 1 -7  23 20 o 72.05171 13.44298 73.05995       29.25577 148.2418      47.27423 26.39544       37.24444 96.29976 18.90610 47.80367 19.11583 48.49609       26.88597 
1 1 1 -7  23 21 o 52.30898 14.81153 39.47066       31.11732 36.77457      51.42444 41.02813       39.08506 52.66492 21.91849 51.95304 19.92750 0.7118835      29.62306 
1 1 1 -7  23 22 o 71.02827 14.85304 95.77593       29.36761 104.8212      51.23512 91.34996       35.83949 70.60526 23.25247 71.45128 18.48711 -0.8460159     29.70607 
1 1 1 -7  23 23 o 33.66075 11.49153 -33.13118      31.39486 -65.15485     52.99165 -15.81205      38.97041 33.09136 16.34347 34.23013 16.15895 -1.138771      22.98305 
1 1 1 -7  25 1  o 195.1980 4.915951 514.9534       25.60359 510.8036      33.93298 520.4392       39.01434 194.3507 6.484143 196.0453 7.390681 -1.694626      9.831902 
1 1 1 -7  25 2  o 193.8181 5.180979 513.0396       26.71656 543.6584      35.82207 474.6602       40.10559 200.4890 6.635549 187.1473 7.958623 13.34166       10.36196 
1 1 1 -7  25 3  o 168.1235 5.688519 387.5705       24.92291 402.2688      31.84410 364.3331       40.03955 172.4378 6.858246 163.8092 9.077525 8.628616       11.37704 
1 1 1 -7  25 4  o 345.9915 4.829309 1615.795       44.84447 1576.794      60.69641 1662.674       66.54575 341.4588 6.601480 350.5241 7.050485 -9.065338      9.658617 
1 1 1 -7  25 5  o 38.58556 11.75632 -1.288453      21.80460 -0.8659534    28.19604 -1.917014      34.39134 36.84446 15.81990 40.32667 17.39468 -3.482208      23.51264 
1 1 1 -7  25 6  o 256.0423 4.687876 887.6616       32.26824 905.8098      44.67012 867.8574       46.66348 258.8207 6.409656 253.2639 6.842589 5.556778       9.375751 
1 1 1 -7  25 7  o 188.1072 5.445113 476.1968       27.36890 455.2313      36.20074 504.1684       41.81424 183.3613 7.332066 192.8531 8.052196 -9.491730      10.89023 
1 1 1 -7  25 8  o 327.3080 4.915809 1447.702       43.22590 1424.186      58.96093 1475.030       63.55902 324.4844 6.748188 330.1316 7.150012 -5.647186      9.831617 
1 1 1 -7  25 9  o 117.7970 8.578847 189.5677       27.14967 172.6010      37.74289 207.7606       39.08303 112.2871 12.48309 123.3069 11.77111 -11.01984      17.15769 
1 1 1 -7  25 10 o 186.2785 6.354676 481.7394       31.87234 488.7638      45.17605 474.7779       44.97321 187.6596 8.940340 184.8974 9.033158 2.762177       12.70935 
1 1 1 -7  25 11 f 69.57657 22.57084 66.99603       48.34338 66.99603      48.34338 0.000000       0.000000 69.57657 22.57084 ?        ?        ?              ?        
1 1 1 -7  25 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  25 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  25 14 o 69.83133 12.90204 62.37983       30.50220 138.3246      44.41178 -5.428502      41.96534 96.93217 17.66650 42.73048 18.80811 54.20169       25.80407 
1 1 1 -7  25 15 o 41.89386 12.47512 -2.266355      27.00377 -49.00364     41.92191 30.87854       35.30349 33.78290 16.17571 50.00482 18.99634 -16.22192      24.95024 
1 1 1 -7  25 16 o 35.34248 11.39449 -38.55978      27.09752 -98.99760     40.72227 9.466967       36.30105 27.36535 13.65104 43.31961 18.24793 -15.95427      22.78899 
1 1 1 -7  25 17 o 109.2143 10.60796 178.6691       29.35841 232.0476      42.22982 128.7390       40.84302 127.2585 12.32393 91.17005 17.26950 36.08844       21.21591 
1 1 1 -7  25 18 o 99.83875 11.86689 157.2703       30.35305 186.1878      41.76625 124.9029       44.18739 112.3524 13.80574 87.32510 19.30529 25.02731       23.73379 
1 1 1 -7  25 19 o 45.13709 13.45238 19.84727       28.28873 7.642250      40.45174 31.52912       39.57526 41.92384 18.45914 48.35035 19.57362 -6.426517      26.90477 
1 1 1 -7  25 20 o 50.75694 12.74722 26.42562       30.37646 -62.73482     46.17828 94.43477       40.33065 31.49053 15.49583 70.02334 20.24465 -38.53281      25.49444 
1 1 1 -7  27 1  o 190.7081 6.200686 511.6814       30.71170 552.3155      39.60903 450.4245       48.63250 201.0341 7.317134 180.3820 10.01267 20.65210       12.40137 
1 1 1 -7  27 2  o 73.92864 12.45677 87.39244       28.88758 134.4213      36.38441 7.190893       47.51429 98.65038 13.69724 49.20690 20.81033 49.44349       24.91354 
1 1 1 -7  27 3  o 30.64846 10.49825 -75.05794      28.53283 -31.28774     35.42187 -155.9371      48.15048 34.00595 15.84361 27.29096 13.77798 6.714989       20.99649 
1 1 1 -7  27 4  o 57.67802 14.88188 39.18142       30.60302 51.77293      39.71662 20.78049       48.01238 61.81833 20.47802 53.53772 21.59936 8.280609       29.76376 
1 1 1 -7  27 5  o 65.65744 14.93879 60.37286       29.43425 57.62315      37.55073 64.75464       47.40226 63.54343 19.80755 67.77145 22.36807 -4.228024      29.87758 
1 1 1 -7  27 6  o 95.97138 12.77824 130.0274       33.02145 130.0274      33.02145 0.000000       0.000000 95.97138 12.77824 ?        ?        ?              ?        
1 1 1 -7  27 7  o 76.12978 12.94972 96.21090       25.85174 103.4982      32.64410 83.95342       42.33713 82.02257 15.34453 70.23698 20.86448 11.78559       25.89944 
1 1 1 -7  27 8  o 47.98931 13.32897 21.13723       24.84700 12.32578      31.92255 34.68039       39.57616 42.54786 17.44489 53.43077 20.15742 -10.88291      26.65795 
1 1 1 -7  27 9  o 143.0124 7.364832 281.9547       28.20078 282.4365      37.95897 281.3611       42.13024 143.3284 9.835549 142.6964 10.96472 0.6319885      14.72966 
1 1 1 -7  27 10 o 49.13170 13.44020 23.27574       27.05795 46.90945      37.04264 -3.759212      39.61856 56.98736 19.76682 41.27604 18.21616 15.71132       26.88039 
1 1 1 -7  27 11 o 72.54001 13.55809 80.36476       26.90561 66.00666      35.79114 99.02230       40.79945 65.31625 19.12554 79.76376 19.22241 -14.44752      27.11618 
1 1 1 -7  27 12 o 183.8822 6.405782 472.4872       30.99455 500.4903      40.56151 433.1904       48.04955 191.0483 7.884742 176.7161 10.09787 14.33224       12.81156 
1 1 1 -7  27 13 o 193.4336 6.500100 528.4808       32.94690 564.7157      42.95393 476.6958       51.35012 202.4213 7.880674 184.4458 10.33925 17.97545       13.00020 
1 1 1 -7  27 14 o 95.33455 12.14073 144.7001       29.15064 163.1129      37.77533 117.5933       45.83395 106.0377 13.23014 84.63137 20.36056 21.40636       24.28146 
1 1 1 -7  27 15 o 57.59789 14.66364 52.54595       28.56358 49.40657      36.65989 57.39634       45.56781 55.82051 19.64662 59.37526 21.77383 -3.554749      29.32728 
1 1 1 -7  27 16 o 93.69019 12.88290 142.6244       31.03798 125.2907      40.55439 167.1342       48.22378 87.09923 17.89048 100.2811 18.54203 -13.18191      25.76580 
1 1 1 -7  27 17 o 55.84985 14.47948 55.62346       29.17020 36.72601      39.79944 77.55766       42.87818 48.54652 19.63740 63.15316 21.28365 -14.60664      28.95896 
1 1 1 -7  27 18 o 37.71216 12.19719 -6.718934      28.97835 -38.53615     40.73924 25.86675       41.22829 31.60998 15.33474 43.81434 18.97187 -12.20436      24.39439 
1 1 1 -7  29 1  o 37.83271 11.76938 -2.257987      23.44560 10.60672      28.75267 -27.78570      40.50272 39.53654 16.41658 36.12888 16.86918 3.407669       23.53877 
1 1 1 -7  29 2  o 62.34748 12.91109 62.77862       23.58363 73.85793      29.49844 43.15205       39.26134 69.56846 16.07081 55.12651 20.21174 14.44195       25.82219 
1 1 1 -7  29 3  o 64.62402 13.21606 63.50057       23.72579 57.33120      29.97769 73.84408       38.81607 61.02319 17.39645 68.22485 19.90026 -7.201660      26.43212 
1 1 1 -7  29 4  o 217.6669 5.422013 653.3532       31.10605 661.3955      40.24635 641.4215       49.02153 219.8183 6.799536 215.5155 8.447437 4.302780       10.84403 
1 1 1 -7  29 5  o 83.24641 12.16115 103.9052       25.95241 92.29461      33.32108 121.8097       41.37825 77.76836 16.42719 88.72448 17.93661 -10.95612      24.32231 
1 1 1 -7  29 6  o 133.7578 7.774527 255.4692       27.46966 272.2905      36.36292 233.1096       41.92375 139.6428 9.670674 127.8727 12.17584 11.77018       15.54905 
1 1 1 -7  29 7  o 55.98996 13.11774 47.31757       25.25309 70.08747      33.28534 16.43506       38.76400 66.49448 18.10339 45.48544 18.98862 21.00904       26.23548 
1 1 1 -7  29 8  o 78.00124 12.13260 93.67886       24.71220 79.99819      32.89862 111.3935       37.43605 71.31449 17.30754 84.68800 17.00733 -13.37350      24.26520 
1 1 1 -7  29 9  o 79.26379 11.82973 101.5087       24.58567 121.7537      32.31358 73.67881       37.88637 91.52892 13.11123 66.99866 19.69430 24.53027       23.65945 
1 1 1 -7  29 10 o 66.49249 13.55249 73.05780       25.47778 73.93018      33.66922 71.88902       38.97160 67.45430 18.14205 65.53069 20.13816 1.923607       27.10497 
1 1 1 -7  29 11 o 69.68764 13.23586 78.83448       26.07140 53.62189      34.75227 111.2916       39.43024 57.04715 19.16137 82.32813 18.26456 -25.28099      26.47173 
1 1 1 -7  29 12 o 39.76580 12.57799 -1.505974      27.16836 -12.55509     35.15422 14.88057       42.81120 35.07672 16.14573 44.45487 19.29090 -9.378151      25.15598 
1 1 1 -7  29 13 o 93.17162 12.03509 143.2342       28.85970 132.2130      38.08109 158.1048       44.23415 89.56680 16.39404 96.77643 17.62411 -7.209633      24.07018 
1 1 1 -7  29 14 o 40.73412 12.81047 4.226187       28.46209 -20.51725     37.00152 40.08242       44.54222 32.97243 15.61932 48.49581 20.30934 -15.52338      25.62094 
1 1 1 -7  29 15 o 41.03725 12.66213 9.388350       29.50936 43.95226      38.54219 -39.57610      45.87387 48.69500 19.45531 33.37949 16.21137 15.31550       25.32425 
1 1 1 -7  31 1  o 58.18639 13.15769 56.49949       24.15201 32.54200      31.14929 92.61414       38.24452 45.61516 17.71028 70.75761 19.46393 -25.14245      26.31537 
1 1 1 -7  31 2  o 42.00531 11.71492 14.77038       23.87654 48.28194      30.24051 -40.70179      38.90715 52.67635 17.87343 31.33426 15.14920 21.34209       23.42985 
1 1 1 -7  31 3  o 71.45688 13.09765 89.20931       24.79000 85.03673      31.15032 96.41631       40.93898 70.98924 16.59388 71.92452 20.26912 -0.9352798     26.19531 
1 1 1 -7  31 4  o 56.23554 13.12830 45.23149       23.82631 19.05662      29.26715 96.67028       41.02830 40.47822 16.66238 71.99287 20.29222 -31.51464      26.25660 
1 1 1 -7  31 5  o 49.71228 13.47117 41.07340       24.85184 39.82467      31.73821 43.05246       39.95545 48.86527 18.12716 50.55928 19.93227 -1.694008      26.94233 
1 1 1 -7  31 6  o 69.07550 12.34529 79.69125       24.83328 40.31409      32.56574 134.4043       38.38699 48.79337 18.31015 89.35763 16.56392 -40.56426      24.69059 
1 1 1 -7  31 7  o 111.1848 8.861216 188.2400       26.17905 176.6015      34.00713 205.1698       41.01550 107.9174 11.70295 114.4521 13.30885 -6.534760      17.72243 
1 1 1 -7  31 8  o 49.69323 12.49986 24.46006       24.78372 -17.91458     31.45844 93.79369       40.23983 30.82600 14.54166 68.56046 20.33535 -37.73445      24.99972 
1 1 1 -7  31 9  o 52.93390 12.66337 49.50542       25.63179 86.91280      34.88320 5.607505       37.78850 67.77381 18.56658 38.09399 17.22572 29.67982       25.32673 
1 1 1 -7  31 10 o 43.79881 13.11415 28.42275       26.74654 31.61222      35.65794 24.31984       40.44297 44.47293 18.35882 43.12470 18.73173 1.348228       26.22831 
1 1 1 -6  0  1  o 916.2989 13.71163 11329.88       337.9635 11318.49      477.4698 11341.32       478.4368 915.8377 19.38131 916.7601 19.40103 -0.000000      0.000000 
1 1 1 -6  0  2  f 354.4188 5.413859 1692.803       51.58887 1663.400      71.67950 1724.400       74.30678 351.2282 7.587172 357.6094 7.724916 -0.000000      0.000000 
1 1 1 -6  0  3  o 1037.983 15.49934 14540.12       432.7609 14516.92      611.0447 14563.48       612.9926 1037.153 21.90202 1038.813 21.93672 -0.000000      0.000000 
1 1 1 -6  0  4  o 1338.085 19.98226 24179.45       719.1729 23967.78      1008.681 24398.31       1025.660 1332.138 28.14874 1344.032 28.36921 -0.000000      0.000000 
1 1 1 -6  0  5  f 73.91173 3.934530 75.73312       7.563808 59.55930      10.70259 91.87221       10.69110 65.64963 6.180293 82.17383 4.870944 -0.000000      0.000000 
1 1 1 -6  0  6  o 1055.924 15.78084 14984.44       446.5441 14280.65      600.8755 15852.58       667.3619 1028.410 21.72062 1083.438 22.89877 -0.000000      0.000000 
1 1 1 -6  0  7  o 106.2138 2.624022 152.3438       7.479549 155.3782      10.80061 149.5476       10.36801 107.2288 3.751115 105.1988 3.670299 -0.000000      0.000000 
1 1 1 -6  0  8  o 890.0127 13.29866 10691.16       318.3803 10665.83      449.2059 10716.72       451.3170 888.9549 18.78539 891.0706 18.82886 -0.000000      0.000000 
1 1 1 -6  0  9  o 1718.882 25.69951 39946.72       1188.075 39519.00      1662.071 40393.62       1698.920 1709.505 36.14384 1728.259 36.54425 -0.000000      0.000000 
1 1 1 -6  0  10 o 1453.097 21.71649 28533.09       848.7905 28335.34      1192.070 28736.44       1208.848 1448.004 30.60462 1458.191 30.81852 -0.000000      0.000000 
1 1 1 -6  0  11 o 63.12732 5.946118 55.79827       9.502156 60.69114      14.77697 52.34867       12.40759 65.40769 8.845903 60.84694 7.948288 -0.000000      0.000000 
1 1 1 -6  0  12 o 450.3248 6.898057 2734.067       83.54418 2692.617      116.9766 2777.222       119.3580 446.8387 9.732633 453.8109 9.777966 -0.000000      0.000000 
1 1 1 -6  0  13 o 34.62805 11.22059 22.58749       11.66932 30.45034      17.71329 16.55831       15.51094 40.16443 16.54110 29.09167 15.16570 -0.000000      0.000000 
1 1 1 -6  0  14 o 194.9691 5.690548 513.1828       29.81709 0.000000      0.000000 513.1828       29.81709 194.9691 5.690548 194.9691 5.690548 -0.000000      0.000000 
1 1 1 -6  0  15 o 273.4415 6.843711 1009.130       50.31811 0.000000      0.000000 1009.130       50.31811 273.4415 6.843711 273.4415 6.843711 -0.000000      0.000000 
1 1 1 -6  0  16 o 589.8979 10.52747 4699.813       167.0984 0.000000      0.000000 4699.813       167.0984 589.8979 10.52747 589.8979 10.52747 -0.000000      0.000000 
1 1 1 -6  0  17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  18 o 73.17077 16.86010 83.04018       28.91544 0.000000      0.000000 83.04018       28.91544 73.17077 16.86010 73.17077 16.86010 -0.000000      0.000000 
1 1 1 -6  0  19 o 40.62862 22.05824 31.78806       33.96354 0.000000      0.000000 31.78806       33.96354 40.62862 22.05824 40.62862 22.05824 -0.000000      0.000000 
1 1 1 -6  0  20 o 85.73161 16.37864 109.5770       33.80779 0.000000      0.000000 109.5770       33.80779 85.73161 16.37864 85.73161 16.37864 -0.000000      0.000000 
1 1 1 -6  0  21 o 205.2504 7.536244 570.0628       41.52331 0.000000      0.000000 570.0628       41.52331 205.2504 7.536244 205.2504 7.536244 -0.000000      0.000000 
1 1 1 -6  0  22 o 327.5596 7.895220 1448.665       69.54529 0.000000      0.000000 1448.665       69.54529 327.5596 7.895220 327.5596 7.895220 -0.000000      0.000000 
1 1 1 -6  0  23 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  24 o 184.5969 8.671928 463.1692       42.88783 0.000000      0.000000 463.1692       42.88783 184.5969 8.671928 184.5969 8.671928 -0.000000      0.000000 
1 1 1 -6  0  25 o 25.02350 17.45780 -40.19597      42.78249 0.000000      0.000000 -40.19597      42.78249 25.02350 17.45780 25.02350 17.45780 -0.000000      0.000000 
1 1 1 -6  0  26 o 170.3917 13.03603 401.5297       59.00542 0.000000      0.000000 401.5297       59.00542 170.3917 13.03603 170.3917 13.03603 -0.000000      0.000000 
1 1 1 -6  0  27 o 133.6288 23.66275 266.6610       77.17818 0.000000      0.000000 266.6610       77.17818 133.6288 23.66275 133.6288 23.66275 -0.000000      0.000000 
1 1 1 -6  0  28 o 120.0809 16.32925 212.2192       50.04031 0.000000      0.000000 212.2192       50.04031 120.0809 16.32925 120.0809 16.32925 -0.000000      0.000000 
1 1 1 -6  0  29 o 45.89360 25.04789 47.11144       44.00607 0.000000      0.000000 47.11144       44.00607 45.89360 25.04789 45.89360 25.04789 -0.000000      0.000000 
1 1 1 -6  0  30 o 98.88111 21.05482 161.8386       49.26973 0.000000      0.000000 161.8386       49.26973 98.88111 21.05482 98.88111 21.05482 -0.000000      0.000000 
1 1 1 -6  0  31 o 31.16956 20.85808 3.916338       48.51744 0.000000      0.000000 3.916338       48.51744 31.16956 20.85808 31.16956 20.85808 -0.000000      0.000000 
1 1 1 -6  2  1  o 1258.258 13.27575 21361.52       449.7881 21308.88      634.4487 21414.71       637.7571 1256.703 18.74910 1259.813 18.80035 -3.109375      26.55150 
1 1 1 -6  2  2  o 204.3397 2.403130 562.0378       13.22058 571.6436      18.89273 552.8205       18.50668 206.0501 3.405168 202.6294 3.391898 3.420746       4.806261 
1 1 1 -6  2  3  o 98.10246 2.749527 129.5775       7.263088 0.000000      0.000000 129.5775       7.263088 ?        ?        98.10246 2.749527 ?              ?        
1 1 1 -6  2  4  o 784.9921 8.283330 8292.007       174.9190 8526.366      254.1808 8081.175       241.0841 795.5081 11.86628 774.4761 11.56052 21.03198       16.56666 
1 1 1 -6  2  5  o 328.5004 4.999740 1453.091       44.22488 0.000000      0.000000 1453.091       44.22488 ?        ?        328.5004 4.999740 ?              ?        
1 1 1 -6  2  6  o 614.8715 6.507627 5092.854       107.7362 5130.137      153.4363 5056.597       151.3098 617.0896 9.234141 612.6533 9.172105 4.436279       13.01525 
1 1 1 -6  2  7  o 599.1011 6.354491 4816.480       102.2087 4604.167      138.2851 5072.116       151.7398 584.6146 8.784611 613.5877 9.184163 -28.97314      12.70898 
1 1 1 -6  2  8  o 954.2498 10.06247 12261.38       258.3423 11970.90      356.7538 12581.67       374.6016 942.3927 14.05896 966.1068 14.39995 -23.71405      20.12494 
1 1 1 -6  2  9  f 195.7077 2.455671 516.0249       12.92529 508.2803      18.66280 523.1638       17.91817 194.2954 3.567228 197.1201 3.375819 -2.824753      4.911342 
1 1 1 -6  2  10 o 922.5863 11.98030 11362.41       276.6816 11784.38      496.6537 11172.52       333.1703 934.6424 19.73444 910.5302 13.58904 24.11224       23.96059 
1 1 1 -6  2  11 o 1276.473 16.45333 22147.58       538.5477 21550.69      906.9535 22472.67       669.3245 1262.443 26.68024 1290.503 19.26168 -28.06006      32.90665 
1 1 1 -6  2  12 o 446.1835 5.852997 2707.382       67.53431 2585.164      111.0844 2779.040       85.05885 438.0945 9.416767 454.2725 6.953760 -16.17798      11.70599 
1 1 1 -6  2  13 o 572.0192 7.153162 4408.156       98.35316 4409.686      187.6628 4407.577       115.4841 571.9899 12.18446 572.0485 7.497319 -0.5853271E-01 14.30632 
1 1 1 -6  2  14 o 173.4026 3.291851 410.0316       15.08090 375.2061      23.12904 435.7877       19.89064 166.9117 5.146210 179.8934 4.106294 -12.98174      6.583702 
1 1 1 -6  2  15 f 272.3258 4.724737 1000.142       34.63054 1021.033      48.61421 978.6193       49.34390 275.2204 6.559930 269.4312 6.801461 5.789215       9.449474 
1 1 1 -6  2  16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  17 o 189.8015 5.985698 485.9951       30.59129 485.9951      30.59129 0.000000       0.000000 189.8015 5.985698 ?        ?        ?              ?        
1 1 1 -6  2  18 o 376.4959 8.651399 1993.374       78.50188 2087.273      93.58066 1770.367       144.2164 392.8018 8.847677 360.1900 14.86961 32.61182       17.30280 
1 1 1 -6  2  19 o 489.6171 8.880059 3303.544       108.8503 3395.293      132.6464 3114.377       190.4655 500.9444 9.833824 478.2897 14.78911 22.65475       17.76012 
1 1 1 -6  2  20 o 149.4730 13.55791 265.6328       28.84321 259.1936      29.85216 356.0891       111.8874 138.5643 8.000941 160.3817 25.90854 -21.81738      27.11582 
1 1 1 -6  2  21 o 136.7608 17.31706 327.6586       31.81092 340.0652      33.19691 188.3169       111.2528 158.7564 7.765743 114.7651 33.75227 43.99129       34.63412 
1 1 1 -6  2  22 o 155.0919 14.05778 287.2018       33.73422 278.9088      35.17061 382.5545       119.2587 143.7183 9.088339 166.4656 26.60615 -22.74734      28.11556 
1 1 1 -6  2  23 o 342.7488 9.430672 1601.894       71.18903 1604.000      80.29355 1594.154       153.9160 344.3616 8.659296 341.1360 16.75610 3.225586       18.86134 
1 1 1 -6  2  24 o 55.46926 17.65790 -14.05685      31.95212 -18.53683     33.51578 30.62226       105.8434 35.60983 16.15128 75.32870 31.40608 -39.71886      35.31580 
1 1 1 -6  2  25 o 59.99007 19.62092 -49.12614      41.18133 -59.34982     43.21515 51.88587       135.8372 34.15331 16.37159 85.82684 35.66362 -51.67353      39.24185 
1 1 1 -6  2  26 f 109.6521 22.95953 174.1209       51.81891 171.5284      54.45525 198.9681       168.5830 108.5047 19.34788 110.7995 41.64397 -2.294846      45.91906 
1 1 1 -6  2  27 o 221.8039 24.22272 630.8117       76.59695 605.1015      79.58997 953.4933       281.9637 209.3519 14.11881 234.2560 46.34242 -24.90404      48.44544 
1 1 1 -6  2  28 o 137.1761 23.62366 342.7077       51.68621 340.0447      53.45699 380.9175       202.4910 154.8244 12.82276 119.5277 45.47400 35.29670       47.24731 
1 1 1 -6  2  29 o 66.84995 20.84400 40.53407       43.90635 32.08155      45.78888 137.0347       154.7148 52.30335 21.09612 81.39655 35.95613 -29.09319      41.68800 
1 1 1 -6  2  30 o 60.79997 18.27016 61.70803       46.08685 67.72640      49.39217 21.20280       128.1369 61.39109 22.64526 60.20885 28.67731 1.182243       36.54033 
1 1 1 -6  2  31 f 54.99652 16.94113 64.05718       42.88242 52.97185      49.64459 96.63727       85.10864 51.56842 21.50517 58.42461 26.18273 -6.856186      33.88226 
1 1 1 -6  4  1  o 452.2728 5.949925 2760.164       68.29587 2769.497      83.69499 2741.565       118.1509 453.4625 6.854483 451.0832 9.727409 2.379333       11.89985 
1 1 1 -6  4  2  o 245.6641 3.486921 816.2236       21.58563 822.8391      26.30383 802.5819       37.77248 247.2033 3.951676 244.1248 5.746193 3.078461       6.973843 
1 1 1 -6  4  3  o 409.3294 6.191504 2256.451       68.24212 0.000000      0.000000 2256.451       68.24212 ?        ?        409.3294 6.191504 ?              ?        
1 1 1 -6  4  4  o 378.8599 4.056415 1931.605       41.35953 1893.521      57.37526 1972.803       59.67493 374.9760 5.682478 382.7438 5.790290 -7.767731      8.112830 
1 1 1 -6  4  5  o 649.7589 6.869772 5685.506       120.1469 5589.810      167.1452 5787.813       172.8238 644.1086 9.637213 655.4092 9.792814 -11.30060      13.73954 
1 1 1 -6  4  6  o 365.7737 3.957484 1799.063       38.92980 1851.939      56.76343 1752.105       53.49219 370.8394 5.684592 360.7079 5.507460 10.13153       7.914967 
1 1 1 -6  4  7  o 769.2755 9.959966 8010.644       195.8080 7867.875      333.0110 8086.088       242.0770 763.8716 16.19030 774.6794 11.60508 -10.80786      19.91993 
1 1 1 -6  4  8  o 249.6666 6.130129 839.3617       41.21103 839.3617      41.21103 0.000000       0.000000 249.6666 6.130129 ?        ?        ?              ?        
1 1 1 -6  4  9  o 617.3216 9.524620 5133.117       158.3225 0.000000      0.000000 5133.117       158.3225 ?        ?        617.3216 9.524620 ?              ?        
1 1 1 -6  4  10 o 690.0842 10.32380 6414.893       191.7654 6305.969      266.9090 6531.109       275.6991 684.0376 14.49105 696.1309 14.70825 -12.09326      20.64760 
1 1 1 -6  4  11 o 793.0016 11.85220 8468.807       252.8364 8699.017      367.3756 8261.646       348.4998 803.2122 16.98622 782.7909 16.53383 20.42133       23.70441 
1 1 1 -6  4  12 f 999.4691 14.93565 13486.12       401.9369 13566.34      571.6560 13407.68       565.2475 1002.401 21.17922 996.5372 21.06501 5.863770       29.87129 
1 1 1 -6  4  13 o 541.5378 7.193744 3951.329       100.4761 3953.943      168.3272 3949.881       125.2337 541.6061 11.54217 541.4695 8.589417 0.1365356      14.38749 
1 1 1 -6  4  14 o 500.6768 9.066115 3379.707       122.2256 3379.707      122.2256 0.000000       0.000000 500.6768 9.066115 ?        ?        ?              ?        
1 1 1 -6  4  15 o 341.6275 6.371173 1573.277       58.60783 0.000000      0.000000 1573.277       58.60783 ?        ?        341.6275 6.371173 ?              ?        
1 1 1 -6  4  16 o 214.8828 3.979720 622.1497       23.00599 633.2988      33.37133 612.0518       31.75928 216.7105 5.718869 213.0550 5.535994 3.655579       7.959440 
1 1 1 -6  4  17 o 129.0380 4.786108 222.8806       16.29806 215.3689      20.89533 234.5500       26.04365 126.3205 6.143164 131.7556 7.340903 -5.435081      9.572216 
1 1 1 -6  4  18 o 356.7607 5.354676 1714.079       50.69535 1756.657      79.11162 1684.414       66.03527 360.3950 8.152263 353.1264 6.944842 7.268555       10.70935 
1 1 1 -6  4  19 o 134.7642 12.39324 267.8735       24.12988 271.5139      25.33810 232.4093       79.08503 141.8549 6.633553 127.6734 23.88232 14.18155       24.78647 
1 1 1 -6  4  20 o 84.85802 14.95031 111.8738       23.14219 116.2999      24.26676 67.41250       76.91192 92.75656 9.715916 76.95947 28.27806 15.79710       29.90063 
1 1 1 -6  4  21 o 284.4711 7.975925 1053.967       47.82170 1030.576      52.83050 1160.074       112.5205 276.4307 7.097658 292.5115 14.28583 -16.08081      15.95185 
1 1 1 -6  4  22 o 147.8492 13.71171 319.6145       30.42509 323.8289      32.07451 281.7709       96.11423 154.9225 7.688864 140.7760 26.32348 14.14653       27.42343 
1 1 1 -6  4  23 o 217.8391 10.22223 672.0640       40.10349 681.2085      43.13442 613.7700       108.9075 224.5803 7.132946 211.0980 19.15977 13.48233       20.44445 
1 1 1 -6  4  24 o 66.47427 16.68427 60.03793       30.65178 69.85113      32.04930 -45.18019      104.9443 69.81432 17.16824 63.13422 28.61313 6.680092       33.36855 
1 1 1 -6  4  25 o 118.1912 20.69141 212.0036       41.76377 214.3193      43.56149 185.6706       146.8936 125.0947 12.93243 111.2877 39.31018 13.80702       41.38283 
1 1 1 -6  4  26 o 85.30414 23.89221 85.05474       48.50386 60.05137      50.52304 379.2415       173.3012 60.97557 22.82111 109.6327 41.98272 -48.65712      47.78443 
1 1 1 -6  4  27 o 102.2484 17.59709 269.6219       56.80474 299.8809      58.92833 -127.6595      213.5235 141.0444 15.51619 63.45242 31.58921 77.59195       35.19418 
1 1 1 -6  4  28 o 59.83345 20.10278 -12.07288      42.42369 -17.97135     43.97507 67.12815       161.1396 40.23800 18.34659 79.42889 35.77555 -39.19089      40.20556 
1 1 1 -6  4  29 o 55.06882 17.46173 19.88725       44.94013 29.00298      48.83537 -30.51338      114.8304 51.97206 21.47218 58.16557 27.54258 -6.193504      34.92346 
1 1 1 -6  4  30 o 92.14069 19.73816 171.0110       46.09331 158.3596      50.63031 232.2621       111.4032 94.95210 20.40994 89.32927 33.79074 5.622833       39.47632 
1 1 1 -6  4  31 o 66.72281 17.12882 116.8063       42.09101 122.7240      47.70080 95.99267       89.45883 75.85041 22.04218 57.59521 26.22458 18.25520       34.25764 
1 1 1 -6  6  1  o 551.7797 11.81790 4102.102       175.5859 0.000000      0.000000 4102.102       175.5859 ?        ?        551.7797 11.81790 ?              ?        
1 1 1 -6  6  2  o 524.9565 11.24894 3712.906       159.0078 0.000000      0.000000 3712.906       159.0078 ?        ?        524.9565 11.24894 ?              ?        
1 1 1 -6  6  3  o 700.2619 9.114111 6632.259       163.0485 6533.166      277.7101 6684.384       201.4183 696.1439 14.81526 704.3799 10.61961 -8.235962      18.22822 
1 1 1 -6  6  4  o 362.6944 5.620551 1771.113       54.88140 1740.013      76.73534 1803.679       78.52361 359.4364 7.928481 365.9524 7.968788 -6.515991      11.24110 
1 1 1 -6  6  5  o 338.4357 4.637546 1540.467       40.15446 1548.696      68.54371 1536.167       49.54654 339.1111 7.506582 337.7602 5.447803 1.350861       9.275092 
1 1 1 -6  6  6  o 569.8206 7.450112 4379.019       108.3607 4357.090      185.3754 4390.400       133.5545 568.6889 12.10581 570.9522 8.687114 -2.263306      14.90022 
1 1 1 -6  6  7  o 336.1857 3.995143 1522.629       36.14406 1494.267      51.70987 1549.723       50.54102 333.1221 5.764831 339.2494 5.532756 -6.127289      7.990286 
1 1 1 -6  6  8  o 206.4683 5.555571 574.0206       30.88627 574.0206      30.88627 0.000000       0.000000 206.4683 5.555571 ?        ?        ?              ?        
1 1 1 -6  6  9  o 254.0556 3.950763 855.5323       25.59066 910.8823      44.59027 828.3480       31.24926 260.0808 6.367200 248.0303 4.678984 12.05045       7.901526 
1 1 1 -6  6  10 o 505.0021 6.724891 3430.375       86.43511 3449.633      149.1445 3420.636       106.0626 506.0297 10.94581 503.9745 7.815742 2.055176       13.44978 
1 1 1 -6  6  11 o 659.8700 8.684513 5811.513       144.1149 6024.256      256.4481 5713.316       174.2284 668.5068 14.24657 651.2331 9.935715 17.27374       17.36903 
1 1 1 -6  6  12 o 478.7385 6.387136 3073.353       78.04682 3132.765      134.3257 3043.074       95.89421 482.1647 10.34619 475.3122 7.492557 6.852539       12.77427 
1 1 1 -6  6  13 o 165.4823 3.410694 365.0599       14.84354 385.8352      23.98510 352.1641       18.89699 169.2541 5.262826 161.7104 4.339816 7.543701       6.821389 
1 1 1 -6  6  14 o 176.6882 5.134345 420.6347       24.42733 420.6347      24.42733 0.000000       0.000000 176.6882 5.134345 ?        ?        ?              ?        
1 1 1 -6  6  15 o 342.7196 4.901850 1574.643       43.73027 1623.462      72.20701 1546.366       54.95470 346.8006 7.732432 338.6385 6.026776 8.162079       9.803699 
1 1 1 -6  6  16 o 219.5872 5.655129 650.3239       33.43743 650.3239      33.43743 0.000000       0.000000 219.5872 5.655129 ?        ?        ?              ?        
1 1 1 -6  6  17 o 245.0409 5.524966 809.8982       36.45454 0.000000      0.000000 809.8982       36.45454 ?        ?        245.0409 5.524966 ?              ?        
1 1 1 -6  6  18 o 150.6166 4.426596 306.8102       17.85869 314.2117      24.22272 297.9958       26.43392 152.6293 5.893885 148.6039 6.606143 4.025391       8.853192 
1 1 1 -6  6  19 o 315.9586 5.027081 1347.240       42.60427 1343.590      63.03413 1350.310       57.80766 315.5342 7.419009 316.3831 6.785609 -0.8488159     10.05416 
1 1 1 -6  6  20 o 84.41269 8.328712 98.05095       18.28473 103.2665      23.40078 89.87460       29.29942 87.40886 9.942405 81.41653 13.36482 5.992332       16.65742 
1 1 1 -6  6  21 o 491.8571 8.506886 3281.845       110.9008 3322.913      145.1070 3224.167       171.9666 495.7912 10.86941 487.9230 13.08909 7.868164       17.01377 
1 1 1 -6  6  22 o 200.1186 8.997768 585.0162       35.48534 607.2441      39.12240 481.8677       84.27664 212.1630 6.848137 188.0742 16.64159 24.08884       17.99554 
1 1 1 -6  6  23 o 184.0501 10.02053 515.0913       35.85441 543.3325      39.63087 387.7351       84.15938 200.4975 7.340764 167.6028 18.64824 32.89476       20.04105 
1 1 1 -6  6  24 o 174.2259 9.873219 347.3204       33.64478 320.7643      36.09832 522.9931       92.84475 153.8709 8.712587 194.5810 17.72040 -40.71008      19.74644 
1 1 1 -6  6  25 o 113.1915 18.92677 140.3433       40.15647 122.9811      42.60717 278.3769       120.1360 92.64334 17.72570 133.7396 33.44683 -41.09624      37.85355 
1 1 1 -6  6  26 o 99.76347 21.60728 157.0860       59.35719 180.1916      64.48498 28.89324       151.8911 112.0892 22.15079 87.43773 37.10581 24.65148       43.21457 
1 1 1 -6  6  27 o 283.5053 12.35614 1220.377       70.70770 1263.622      78.63969 1037.866       161.5543 303.4063 9.625734 263.6044 22.76053 39.80188       24.71227 
1 1 1 -6  6  28 o 88.24821 16.59414 157.7632       42.14336 182.1905      44.78017 -31.52219      124.6542 112.6876 14.75795 63.80879 29.72649 48.87885       33.18827 
1 1 1 -6  6  29 o 90.47667 19.45830 134.2549       42.62561 117.4681      46.92656 213.4442       101.9222 83.45785 20.92163 97.49550 32.81444 -14.03765      38.91661 
1 1 1 -6  6  30 o 47.18436 15.63204 4.201509       38.84581 -3.299600     42.93957 38.00924       91.15971 39.42441 18.03475 54.94431 25.53802 -15.51991      31.26408 
1 1 1 -6  8  1  o 1148.092 14.93907 17784.49       437.4286 17782.39      538.3313 17788.56       750.4708 1148.399 17.40899 1147.785 24.28230 0.6136475      29.87814 
1 1 1 -6  8  2  o 1110.943 11.78071 16625.81       352.1477 17000.57      509.9001 16284.08       486.9187 1122.882 16.86426 1099.005 16.45408 23.87793       23.56141 
1 1 1 -6  8  3  o 663.3501 7.073622 5921.609       126.2350 6057.713      183.1855 5798.531       174.1997 670.5966 10.14487 656.1036 9.860333 14.49298       14.14724 
1 1 1 -6  8  4  o 723.8741 7.693931 7057.505       149.9350 7130.414      214.6640 6988.057       209.5102 727.5205 10.95798 720.2278 10.80319 7.292725       15.38786 
1 1 1 -6  8  5  o 433.4906 4.738472 2530.516       55.30254 2530.237      78.84476 2530.787       77.58953 433.4662 6.755137 433.5149 6.646847 -0.4867554E-01 9.476943 
1 1 1 -6  8  6  o 152.3736 2.802027 312.4434       11.32246 313.5766      17.62711 311.6474       14.77306 152.6077 4.289642 152.1395 3.606160 0.4682617      5.604054 
1 1 1 -6  8  7  o 560.8546 6.050012 4233.216       91.29254 4320.858      132.3052 4153.563       126.1304 566.3878 8.675201 555.3214 8.435131 11.06635       12.10002 
1 1 1 -6  8  8  o 314.1893 5.410500 1329.249       45.77329 1329.249      45.77329 0.000000       0.000000 314.1893 5.410500 ?        ?        ?              ?        
1 1 1 -6  8  9  o 669.9382 7.214538 6042.842       130.1033 5927.341      181.2178 6165.703       186.9017 663.3372 10.14572 676.5392 10.25975 -13.20203      14.42908 
1 1 1 -6  8  10 o 468.2529 7.493191 2953.101       94.47800 2953.101      94.47800 0.000000       0.000000 468.2529 7.493191 ?        ?        ?              ?        
1 1 1 -6  8  11 o 445.0403 5.086294 2656.532       60.61691 2771.170      91.38586 2566.468       81.00106 453.5685 7.482604 436.5120 6.891458 17.05649       10.17259 
1 1 1 -6  8  12 o 134.0901 3.780635 227.7255       12.59524 279.7855      23.72508 207.2950       14.86260 144.1149 6.113862 124.0653 4.448987 20.04953       7.561269 
1 1 1 -6  8  13 o 114.8145 6.980335 177.7384       21.58024 177.7384      21.58024 0.000000       0.000000 114.8145 6.980335 ?        ?        ?              ?        
1 1 1 -6  8  14 o 187.4521 3.428684 476.4686       17.12981 450.7078      25.73858 496.9513       22.95082 182.8607 5.227343 192.0435 4.438285 -9.182816      6.857367 
1 1 1 -6  8  15 o 201.4891 4.568688 547.1854       24.78714 0.000000      0.000000 547.1854       24.78714 ?        ?        201.4891 4.568688 ?              ?        
1 1 1 -6  8  16 o 177.5692 5.481253 425.3172       26.20781 425.3172      26.20781 0.000000       0.000000 177.5692 5.481253 ?        ?        ?              ?        
1 1 1 -6  8  17 o 157.1226 5.517529 332.9865       23.34354 332.9865      23.34354 0.000000       0.000000 157.1226 5.517529 ?        ?        ?              ?        
1 1 1 -6  8  18 o 237.4073 5.517336 759.8804       35.27013 0.000000      0.000000 759.8804       35.27013 ?        ?        237.4073 5.517336 ?              ?        
1 1 1 -6  8  19 f 165.4196 4.259154 369.0933       18.96403 379.5637      26.76211 358.5332       26.87662 167.7809 5.923720 163.0583 6.121366 4.722565       8.518309 
1 1 1 -6  8  20 o 409.9229 5.329798 2268.073       58.70390 2245.594      85.64128 2287.996       80.62527 407.9781 7.795840 411.8676 7.269929 -3.889526      10.65960 
1 1 1 -6  8  21 o 86.68073 8.282894 101.7848       18.58700 102.1112      23.30380 101.2143       30.81435 86.93169 9.955548 86.42976 13.24056 0.5019302      16.56579 
1 1 1 -6  8  22 o 71.53145 10.81333 71.01284       19.79052 65.65760      25.18703 79.65425       31.99483 68.17428 14.18249 74.88862 16.32697 -6.714340      21.62667 
1 1 1 -6  8  23 o 364.5383 12.14774 1811.018       119.2400 0.000000      0.000000 1811.018       119.2400 ?        ?        364.5383 12.14774 ?              ?        
1 1 1 -6  8  24 o 223.1922 9.048122 536.0276       40.30816 477.2288      43.25631 923.8063       111.0854 187.6066 8.562841 258.7778 15.94214 -71.17114      18.09624 
1 1 1 -6  8  25 o 175.3490 13.30165 398.4601       44.58498 381.7174      47.97768 504.4394       120.7083 166.6815 10.68977 184.0164 24.36111 -17.33493      26.60329 
1 1 1 -6  8  26 o 64.59708 21.13593 -39.12271      56.22192 -49.11235     60.21866 28.72748       156.9393 44.30162 20.64624 84.89253 36.88689 -40.59091      42.27186 
1 1 1 -6  8  27 o 73.32822 21.17548 33.38259       41.06716 16.04789      43.08244 205.7749       135.8630 47.81978 19.99546 98.83665 37.33343 -51.01687      42.35096 
1 1 1 -6  8  28 o 46.72877 15.37614 -8.679170      38.30961 6.890243      41.12087 -111.0084      105.4207 43.82203 18.96119 49.63551 24.21107 -5.813477      30.75227 
1 1 1 -6  8  29 o 86.99142 17.20002 157.7892       42.56738 169.0395      47.01537 106.6289       100.2589 103.6896 16.83920 70.29325 29.99674 33.39633       34.40004 
1 1 1 -6  8  30 o 40.00170 13.53461 -30.33013      44.42197 15.46591      51.49802 -163.4747      87.80885 43.75444 19.91273 36.24896 18.33646 7.505474       27.06922 
1 1 1 -6  10 1  o 228.3720 2.769676 700.5059       17.00787 670.2736      23.31258 734.9078       24.86825 223.1172 3.880377 233.6268 3.953112 -10.50969      5.539352 
1 1 1 -6  10 2  o 135.0341 2.320566 244.0152       8.401440 214.7802      11.43654 278.2872       12.38263 126.3014 3.362818 143.7668 3.198680 -17.46547      4.641131 
1 1 1 -6  10 3  o 501.6285 5.401803 3380.116       72.81215 3517.925      107.2014 3262.095       99.20650 511.0928 7.789641 492.1641 7.485948 18.92871       10.80361 
1 1 1 -6  10 4  f 449.2849 4.882412 2718.246       59.06288 2725.125      84.02647 2711.529       83.03735 449.8462 6.936952 448.7236 6.872444 1.122528       9.764824 
1 1 1 -6  10 5  o 198.3515 2.842406 526.7379       15.07733 554.3199      22.92404 505.7104       20.01577 202.9011 4.195883 193.8020 3.835577 9.099091       5.684812 
1 1 1 -6  10 6  o 259.6304 3.187935 907.8494       22.28146 893.9461      31.69506 921.4337       31.32961 257.6643 4.568293 261.5965 4.447742 -3.932190      6.375869 
1 1 1 -6  10 7  o 546.6539 5.894875 4024.794       86.76746 3990.794      122.1344 4059.441       123.2892 544.3233 8.332930 548.9846 8.340293 -4.661316      11.78975 
1 1 1 -6  10 8  o 534.8414 5.787762 3853.170       83.35229 3839.439      117.8188 3866.928       117.9372 533.8871 8.195618 535.7957 8.174632 -1.908508      11.57552 
1 1 1 -6  10 9  o 493.9138 5.423594 3285.118       72.11838 3228.349      100.8520 3344.525       103.1691 489.5491 7.650763 498.2784 7.689427 -8.729340      10.84719 
1 1 1 -6  10 10 o 42.69827 8.549969 23.06753       11.29296 40.41578      16.49122 7.749060       15.49647 53.69968 11.73306 31.69686 12.43958 22.00282       17.09994 
1 1 1 -6  10 11 o 370.2496 4.383043 1844.575       43.59407 1884.794      64.17878 1810.122       59.40072 373.9818 6.373201 366.5174 6.018852 7.464386       8.766087 
1 1 1 -6  10 12 o 77.52882 6.631963 84.84039       12.61261 71.80180      22.19850 91.05608       15.32688 72.88096 11.31166 82.17667 6.926625 -9.295715      13.26393 
1 1 1 -6  10 13 o 322.9166 4.138283 1407.420       35.72092 1396.177      53.74965 1416.314       47.80527 321.7274 6.204462 324.1059 5.477791 -2.378448      8.276567 
1 1 1 -6  10 14 o 195.1476 3.805307 517.7473       19.04606 499.5899      31.99423 527.7137       23.70369 192.4254 6.174843 197.8698 4.448905 -5.444443      7.610614 
1 1 1 -6  10 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 16 o 66.56302 7.135363 57.45253       12.28771 69.17484      21.16998 51.49680       15.08972 71.42802 11.00699 61.69802 9.082944 9.730003       14.27073 
1 1 1 -6  10 17 o 203.4186 3.830724 553.7723       20.67091 580.9477      32.46249 535.2390       26.80844 207.5649 5.808239 199.2724 4.996213 8.292526       7.661448 
1 1 1 -6  10 18 o 242.1359 6.114298 790.6096       39.86476 790.6096      39.86476 0.000000       0.000000 242.1359 6.114298 ?        ?        ?              ?        
1 1 1 -6  10 19 o 49.33025 10.44550 32.81092       15.66757 45.79507      21.65092 18.53682       22.70095 57.00989 14.16637 41.65062 15.35407 15.35927       20.89099 
1 1 1 -6  10 20 o 129.6752 5.354167 226.5442       18.63021 223.1761      25.22882 230.5835       27.62858 128.6267 7.284214 130.7237 7.849119 -2.097000      10.70833 
1 1 1 -6  10 21 o 143.5747 5.488825 278.1940       21.09196 275.2892      28.24936 281.8531       31.70606 142.7564 7.349022 144.3929 8.154796 -1.636459      10.97765 
1 1 1 -6  10 22 o 372.1509 5.207338 1867.881       52.01101 1928.483      77.22098 1817.561       70.36545 377.6115 7.594630 366.6903 7.126504 10.92120       10.41468 
1 1 1 -6  10 23 f 100.9600 8.706050 139.3699       22.70641 140.4718      28.43605 137.4312       37.71926 101.6927 10.38475 100.2273 13.97634 1.465378       17.41210 
1 1 1 -6  10 24 o 76.42563 13.91609 84.44388       27.93156 84.88371      34.60553 83.62173       47.31293 76.83279 17.16022 76.01846 21.91249 0.8143311      27.83218 
1 1 1 -6  10 25 o 191.2538 30.69046 520.2443       158.0509 0.000000      0.000000 520.2443       158.0509 ?        ?        191.2538 30.69046 ?              ?        
1 1 1 -6  10 26 o 110.9010 19.38946 116.7145       38.96976 92.16096      40.93645 353.9904       127.2564 78.13879 19.51455 143.6633 33.51100 -65.52451      38.77892 
1 1 1 -6  10 27 o 98.55861 19.14187 150.4793       37.96632 147.5256      39.99905 177.3445       120.6306 101.4249 14.64609 95.69231 35.37141 5.732597       38.28374 
1 1 1 -6  10 28 o 69.54514 14.69156 95.70379       37.74678 129.2809      41.51529 -64.46158      90.67152 90.34856 17.69800 48.74173 23.45523 41.60683       29.38311 
1 1 1 -6  10 29 o 55.96325 16.73986 52.58131       39.22746 50.75949      44.31681 59.17465       84.30799 53.95564 21.07556 57.97086 26.01370 -4.015213      33.47972 
1 1 1 -6  12 1  o 874.0026 9.293317 10299.38       218.6729 10183.08      305.8986 10420.92       312.7143 868.9656 13.07349 879.0395 13.21162 -10.07391      18.58663 
1 1 1 -6  12 2  o 473.1411 5.137733 3012.543       65.40459 3083.766      94.76409 2947.753       90.38344 478.4738 7.355331 467.8085 7.175255 10.66528       10.27547 
1 1 1 -6  12 3  o 220.9606 2.930094 656.2432       17.40804 678.4484      25.45663 636.7387       23.85839 224.4647 4.211819 217.4565 4.074604 7.008163       5.860189 
1 1 1 -6  12 4  o 617.8795 6.618977 5144.049       110.1228 5143.926      155.8777 5144.173       155.5971 617.8716 9.369195 617.8873 9.352091 -0.1574707E-01 13.23795 
1 1 1 -6  12 5  o 125.2880 3.122935 212.5122       10.47278 188.6200      14.96796 235.4264       14.65840 118.3506 4.696873 132.2254 4.117071 -13.87482      6.245870 
1 1 1 -6  12 6  o 517.1285 5.603182 3602.900       78.02084 3581.782      110.0001 3624.281       110.6793 515.6036 7.923073 518.6534 7.925119 -3.049744      11.20636 
1 1 1 -6  12 7  o 491.8471 5.356388 3259.392       70.93649 3227.663      99.82733 3291.755       100.8187 489.4294 7.574885 494.2649 7.575268 -4.835510      10.71278 
1 1 1 -6  12 8  o 490.2409 5.354404 3236.432       70.64149 3153.868      97.91259 3326.064       102.0181 483.7300 7.517130 496.7518 7.627013 -13.02176      10.70881 
1 1 1 -6  12 9  o 130.9304 3.476631 231.0359       12.24773 220.0249      17.27649 242.1609       17.36567 127.7912 5.020779 134.0695 4.810366 -6.278336      6.953261 
1 1 1 -6  12 10 o 148.5952 3.495475 297.8918       13.96107 290.2310      20.20165 304.8955       19.31598 146.7600 5.112058 150.4304 4.768674 -3.670425      6.990951 
1 1 1 -6  12 11 o 135.4032 4.036213 247.8196       14.67435 237.1108      21.27508 257.5377       20.26694 132.5968 5.958745 138.2095 5.445862 -5.612732      8.072426 
1 1 1 -6  12 12 o 383.2380 4.537824 1968.316       46.55787 2101.477      70.51038 1865.379       61.99421 394.6242 6.635687 371.8517 6.191530 22.77255       9.075648 
1 1 1 -6  12 13 o 183.6714 3.904187 461.2261       18.90566 421.6680      29.17313 489.8680       24.82369 176.7462 6.129845 190.5965 4.836909 -13.85030      7.808373 
1 1 1 -6  12 14 o 188.9030 3.958552 478.2038       19.13482 491.7292      32.82330 471.2408       23.55062 190.8538 6.387017 186.9521 4.678305 3.901657       7.917104 
1 1 1 -6  12 15 o 50.55766 10.30347 27.24022       13.54869 56.95023      27.62175 17.82731       15.54754 63.41050 16.13707 37.70481 12.81565 25.70570       20.60694 
1 1 1 -6  12 16 o 302.7142 4.352245 1242.819       35.25315 1153.089      51.61812 1321.260       48.26191 292.3817 6.556447 313.0466 5.725484 -20.66483      8.704491 
1 1 1 -6  12 17 o 225.0269 6.731557 683.0464       40.78809 683.0464      40.78809 0.000000       0.000000 225.0269 6.731557 ?        ?        ?              ?        
1 1 1 -6  12 18 o 228.9134 4.237058 701.7877       25.60248 729.0832      40.77388 684.0206       32.89611 232.5387 6.511834 225.2881 5.422790 7.250580       8.474115 
1 1 1 -6  12 19 o 314.5196 4.460032 1335.558       37.68776 1303.233      54.77478 1364.619       51.93557 310.8834 6.543344 318.1558 6.062359 -7.272400      8.920064 
1 1 1 -6  12 20 o 235.8513 6.275593 750.7195       39.85441 750.7195      39.85441 0.000000       0.000000 235.8513 6.275593 ?        ?        ?              ?        
1 1 1 -6  12 21 o 114.1192 6.598611 175.7786       20.23280 191.2456      29.70357 162.3905       27.63525 118.7865 9.286632 109.4519 9.376842 9.334564       13.19722 
1 1 1 -6  12 22 o 57.12305 11.99049 42.01251       20.63993 22.65439      27.36042 67.57681       31.44185 45.53751 16.84292 68.70859 17.07055 -23.17107      23.98099 
1 1 1 -6  12 23 o 152.2413 7.370620 321.2897       29.29670 342.5680      37.88536 289.6381       46.20623 158.8629 8.856568 145.6197 11.78411 13.24321       14.74124 
1 1 1 -6  12 24 o ?        ?        -240.3364      36.67109 -219.5161     46.23391 -275.6522      60.21448 ?        ?        ?        ?        ?              ?        
1 1 1 -6  12 25 o 62.98847 15.39127 55.68779       30.84005 46.76648      38.65725 71.30628       51.14891 57.55960 20.18011 68.41734 23.24496 -10.85773      30.78254 
1 1 1 -6  12 26 o 45.15383 13.46151 11.20337       27.83535 15.16140      36.58442 5.762218       42.89455 45.14167 18.61117 45.16600 19.45440 -0.2433395E-01 26.92303 
1 1 1 -6  12 27 o 87.39470 16.52301 141.4397       35.71555 148.8197      38.84768 101.1303       90.79053 100.6496 14.33407 74.13978 29.77538 26.50983       33.04601 
1 1 1 -6  12 28 o 65.08494 17.46058 70.33925       34.01090 62.79190      36.93514 112.4206       87.21422 60.02633 19.74139 70.14355 28.80564 -10.11722      34.92116 
1 1 1 -6  12 29 o 40.73879 13.27162 1.865270       35.32782 27.90009      39.41029 -104.6283      79.70655 44.04901 18.80237 37.42857 18.73540 6.620438       26.54325 
1 1 1 -6  14 1  o 111.3260 3.067045 167.8388       9.142981 184.1453      12.75520 150.6061       13.11245 116.9212 4.051454 105.7308 4.605734 11.19031       6.134090 
1 1 1 -6  14 2  o 280.2087 3.403744 1057.301       25.67260 1078.267      36.90738 1037.647       35.73412 282.8972 4.845082 277.5202 4.781952 5.377075       6.807487 
1 1 1 -6  14 3  o 261.7889 3.306879 923.0372       23.30108 932.4880      33.50338 914.1832       32.42833 263.0844 4.729445 260.4934 4.623219 2.590973       6.613759 
1 1 1 -6  14 4  o 283.0081 3.498378 1078.873       26.65574 1061.990      37.32872 1096.439       38.07622 280.7499 4.937874 285.2662 4.957014 -4.516266      6.996756 
1 1 1 -6  14 5  o 372.6758 4.234327 1871.490       42.48513 1843.429      59.47328 1900.732       60.71198 369.8249 5.972311 375.5267 6.004132 -5.701813      8.468654 
1 1 1 -6  14 6  o 574.0709 6.213422 4448.347       96.04270 4459.963      136.4764 4436.951       135.1826 574.8082 8.817616 573.3337 8.756489 1.474548       12.42684 
1 1 1 -6  14 7  o 367.1042 4.217135 1815.398       41.64533 1850.831      60.47063 1783.431       57.43717 370.5001 6.061398 363.7084 5.864842 6.791687       8.434271 
1 1 1 -6  14 8  o 271.7571 3.515900 994.6841       25.69166 1010.022      37.45784 981.0593       35.30468 273.7264 5.082093 269.7878 4.859892 3.938629       7.031800 
1 1 1 -6  14 9  o 399.0527 4.551517 2147.728       48.88843 2173.443      70.27168 2123.607       68.05877 401.3582 6.502266 396.7472 6.370696 4.611084       9.103034 
1 1 1 -6  14 10 o 513.9047 5.673672 3569.109       78.51067 3556.758      110.8845 3581.525       111.1778 513.0123 8.027118 514.7969 8.020450 -1.784607      11.34734 
1 1 1 -6  14 11 f 113.6097 4.758997 174.5099       14.53866 183.1498      20.43024 165.6456       20.69384 116.4728 6.514267 110.7465 6.939490 5.726242       9.517994 
1 1 1 -6  14 12 o 365.9110 4.426167 1806.975       43.60518 1781.641      61.11464 1833.247       62.23470 363.3008 6.247344 368.5212 6.271722 -5.220337      8.852333 
1 1 1 -6  14 13 o 74.23010 8.601148 78.92231       15.96631 47.18027      22.47653 111.2543       22.68446 57.76215 14.47902 90.69806 9.288533 -32.93591      17.20230 
1 1 1 -6  14 14 o 310.3316 4.230490 1300.204       35.28490 1271.732      51.16317 1326.029       48.72672 307.0702 6.187802 313.5929 5.770555 -6.522705      8.460980 
1 1 1 -6  14 15 o 116.3027 5.907247 183.5745       17.29401 180.0075      30.29181 185.2994       21.06431 115.3985 9.748583 117.2068 6.674382 -1.808266      11.81449 
1 1 1 -6  14 16 o 504.2480 5.792200 3425.574       78.57270 3259.935      108.5009 3608.221       113.9353 491.4533 8.199131 517.0427 8.183677 -25.58932      11.58440 
1 1 1 -6  14 17 o 331.2144 4.598429 1485.586       40.79590 1401.007      59.77625 1559.328       55.81543 322.3221 6.887398 340.1068 6.094746 -17.78470      9.196857 
1 1 1 -6  14 18 f 176.1106 5.067240 417.9416       22.46672 419.4868      39.58061 417.2071       27.28891 176.2923 8.338073 175.9288 5.760576 0.3635406      10.13448 
1 1 1 -6  14 19 f 304.1339 4.748528 1239.622       37.91773 1289.675      61.34689 1208.679       48.23466 308.9772 7.373652 299.2905 5.985260 9.686768       9.497057 
1 1 1 -6  14 20 o 188.8389 5.158141 481.0850       25.45071 486.5811      41.43509 477.7552       32.25175 189.6076 8.115759 188.0703 6.368684 1.537354       10.31628 
1 1 1 -6  14 21 o 49.52341 11.91798 25.40139       20.97181 0.3772297     28.96726 52.96576       30.40196 37.84711 16.13659 61.19972 17.54320 -23.35261      23.83597 
1 1 1 -6  14 22 f 210.0693 5.703129 594.2499       32.09924 561.4481      42.89036 636.0154       48.39725 203.5638 7.824847 216.5749 8.299067 -13.01111      11.40626 
1 1 1 -6  14 23 o 71.00790 15.88997 67.37564       34.15656 50.04251      44.90812 91.16438       52.61046 62.51387 21.75990 79.50194 23.16184 -16.98807      31.77993 
1 1 1 -6  14 24 o 129.7309 9.096395 237.1903       31.65320 218.6425      42.56110 260.1465       47.34956 124.1669 12.72986 135.2949 12.99724 -11.12794      18.19279 
1 1 1 -6  14 25 o 44.30149 13.20246 10.85191       26.66672 14.42201      34.64110 5.659046       41.77869 44.01556 18.12417 44.58741 19.20245 -0.5718460     26.40492 
1 1 1 -6  14 26 o 88.04663 12.44742 122.6620       28.39368 136.0888      37.31939 104.2068       43.75313 96.34459 14.38546 79.74867 20.31775 16.59592       24.89483 
1 1 1 -6  14 27 o 63.55952 14.10649 63.12583       29.10724 27.58894      38.25682 111.9744       44.85338 47.17404 19.19123 79.94501 20.68017 -32.77098      28.21299 
1 1 1 -6  14 28 o 45.24637 13.80799 28.99989       30.50987 35.93800      37.21785 14.78433       53.27367 46.48681 18.92219 44.00593 20.11450 2.480885       27.61598 
1 1 1 -6  16 1  o 224.9935 3.236433 681.7465       19.59776 708.4554      28.21751 656.8574       27.23920 229.2468 4.571218 220.7401 4.582788 8.506744       6.472865 
1 1 1 -6  16 2  o 271.7859 3.488532 995.1172       25.51743 972.0104      35.41049 1020.079       36.80404 268.5092 4.897669 275.0627 4.969130 -6.553528      6.977063 
1 1 1 -6  16 3  o 190.4890 3.198765 489.1027       16.40580 497.7266      23.25027 480.5511       23.15265 192.1628 4.493402 188.8151 4.553868 3.347610       6.397529 
1 1 1 -6  16 4  o 347.3340 4.099132 1626.317       38.32036 1661.756      55.20565 1593.364       53.23442 350.9781 5.841443 343.6899 5.752311 7.288208       8.198264 
1 1 1 -6  16 5  f 298.5389 3.734317 1202.036       30.01694 1195.973      42.63242 1207.995       42.27061 297.7890 5.316771 299.2889 5.245231 -1.499847      7.468634 
1 1 1 -6  16 6  o 101.9962 4.659839 140.4592       12.79688 142.9414      18.16389 138.0129       18.03188 102.8923 6.556050 101.1000 6.623789 1.792381       9.319677 
1 1 1 -6  16 7  o 68.52191 6.737494 63.63993       12.36129 63.17561      18.44907 64.01819       16.65177 68.27242 10.03566 68.77140 8.992267 -0.4989853     13.47499 
1 1 1 -6  16 8  o 419.7121 4.772887 2378.046       53.93894 2355.437      75.94498 2401.060       76.62188 417.6988 6.752312 421.7254 6.747450 -4.026642      9.545774 
1 1 1 -6  16 9  o 251.4845 3.597749 853.2122       24.35581 840.5175      34.68837 865.5558       34.20535 249.6326 5.160588 253.3364 5.014332 -3.703781      7.195498 
1 1 1 -6  16 10 o 266.8588 3.726746 960.2896       26.77827 953.9487      37.91846 966.5983       37.82210 265.9781 5.294458 267.7395 5.246261 -1.761444      7.453492 
1 1 1 -6  16 11 o 299.0242 3.948039 1204.498       31.76518 1174.715      43.91034 1237.195       46.00859 295.1554 5.525004 302.8930 5.641132 -7.737579      7.896078 
1 1 1 -6  16 12 o 186.9899 4.033104 471.6509       20.29022 478.0382      28.24487 464.8398       29.16675 188.3048 5.570507 185.6750 5.833794 2.629807       8.066208 
1 1 1 -6  16 13 o 94.50041 6.843950 119.6000       17.32641 109.8386      23.12494 132.0934       26.16158 90.15055 9.526400 98.85027 9.828852 -8.699722      13.68790 
1 1 1 -6  16 14 o 65.43466 10.58498 59.68594       18.54282 40.38383      25.28877 82.13124       27.27019 54.17004 16.13311 76.69929 13.70729 -22.52925      21.16996 
1 1 1 -6  16 15 o 430.8825 5.167656 2504.226       59.94978 2456.248      84.63201 2552.544       84.93237 426.7340 7.365361 435.0310 7.250528 -8.297028      10.33531 
1 1 1 -6  16 16 o 49.70457 11.09070 33.85582       17.79029 7.719520      30.67410 47.10359       21.83842 41.60917 17.08487 57.79998 14.14645 -16.19082      22.18141 
1 1 1 -6  16 17 o 66.32123 10.94435 52.60878       19.09393 101.4700      33.80296 29.71379       23.13891 85.01508 15.33042 47.62737 15.62348 37.38770       21.88869 
1 1 1 -6  16 18 o 243.2904 4.703524 785.6693       29.13855 841.0925      50.95345 758.7362       35.51978 249.4438 7.586081 237.1369 5.562726 12.30692       9.407047 
1 1 1 -6  16 19 o 75.14549 11.59126 74.71141       21.06497 96.30370      39.88032 66.35600       24.80809 81.84333 18.52771 68.44765 13.93390 13.39568       23.18253 
1 1 1 -6  16 20 o 32.52826 10.90407 -45.44266      23.06334 -15.60997     41.01666 -59.23600      27.89003 40.75277 18.22591 24.30374 11.97543 16.44903       21.80813 
1 1 1 -6  16 21 o 163.5906 7.399467 384.0508       30.80418 281.7879      47.73596 457.0207       40.32351 143.5599 12.34892 183.6213 8.155521 -40.06142      14.79893 
1 1 1 -6  16 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  16 23 o 272.5891 7.977108 1014.770       58.55140 0.000000      0.000000 1014.770       58.55140 ?        ?        272.5891 7.977108 ?              ?        
1 1 1 -6  16 24 o 73.44589 20.09721 84.48642       40.89946 0.000000      0.000000 84.48642       40.89946 ?        ?        73.44589 20.09721 ?              ?        
1 1 1 -6  16 25 o 158.5506 7.247452 353.8931       30.70499 354.3202      41.03429 353.3496       46.28516 159.0961 9.578644 158.0050 10.87896 1.091049       14.49490 
1 1 1 -6  16 26 o 100.7564 11.64396 160.3031       30.70401 161.2305      41.48318 159.1795       45.66088 102.6380 15.01000 98.87491 17.80526 3.763069       23.28793 
1 1 1 -6  16 27 o 105.7319 11.97807 193.1559       32.35008 197.7553      42.12233 186.5419       50.51178 110.9734 14.09646 100.4904 19.36972 10.48297       23.95613 
1 1 1 -6  18 1  o 345.9456 4.164647 1611.648       38.75731 1669.950      56.33969 1559.270       53.40057 351.8700 5.946328 340.0212 5.832523 11.84879       8.329294 
1 1 1 -6  18 2  o 263.7365 3.578211 937.2610       25.40460 961.6490      36.40042 914.1005       35.47261 267.0797 5.061533 260.3933 5.059177 6.686401       7.156423 
1 1 1 -6  18 3  o 487.4236 5.433959 3208.435       71.31680 3232.156      101.3628 3185.181       100.3591 489.2057 7.694913 485.6417 7.674629 3.563995       10.86792 
1 1 1 -6  18 4  o 322.2606 3.998846 1400.278       34.68903 1390.855      48.39180 1410.237       49.75186 321.1512 5.596014 323.3699 5.713817 -2.218719      7.997692 
1 1 1 -6  18 5  o 165.9550 3.716437 371.3324       16.60514 372.1453      23.30734 370.4945       23.66314 166.1415 5.209920 165.7686 5.301354 0.3729553      7.432875 
1 1 1 -6  18 6  o 610.7866 6.667176 5045.329       109.6458 5067.102      155.9976 5024.071       154.1441 612.0782 9.465155 609.4951 9.392326 2.583069       13.33435 
1 1 1 -6  18 7  o 501.9364 5.607263 3399.990       75.75255 3317.117      105.2638 3489.012       109.0997 495.6053 7.887873 508.2676 7.971639 -12.66235      11.21453 
1 1 1 -6  18 8  o 376.7587 4.482518 1913.268       45.45974 1863.123      63.33191 1966.566       65.29248 371.6707 6.328210 381.8468 6.350247 -10.17615      8.965036 
1 1 1 -6  18 9  o 310.8322 4.068329 1302.195       34.03231 1314.407      49.03691 1290.847       47.26965 312.2317 5.832607 309.4326 5.673262 2.799072       8.136658 
1 1 1 -6  18 10 o 333.1381 4.202534 1495.991       37.68952 1515.619      53.99792 1477.344       52.63044 335.2651 5.981434 331.0111 5.904879 4.253967       8.405067 
1 1 1 -6  18 11 o 115.9080 5.695399 181.4714       17.75897 185.0924      24.74471 177.6252       25.50238 117.1087 7.847111 114.7072 8.256703 2.401505       11.39080 
1 1 1 -6  18 12 o 548.9470 6.130344 4066.524       90.59950 4130.767      129.5883 4005.099       126.7141 553.1818 8.699906 544.7122 8.639218 8.469543       12.26069 
1 1 1 -6  18 13 o 82.71005 9.208913 99.03264       18.95777 128.6559      25.91577 64.93434       27.80443 97.59069 9.862165 67.82941 15.55487 29.76128       18.41783 
1 1 1 -6  18 14 o 164.9105 5.173985 368.6411       22.84124 387.9365      31.20098 346.3583       33.52934 169.6036 6.832031 160.2173 7.771989 9.386337       10.34797 
1 1 1 -6  18 15 f 282.3408 4.419998 1075.167       33.56088 1067.067      46.23675 1084.187       48.79066 281.2315 6.105762 283.4501 6.392589 -2.218536      8.839996 
1 1 1 -6  18 16 o 170.0439 5.389346 391.5351       24.60710 379.8576      35.85242 401.9351       33.83456 167.6138 7.943748 172.4740 7.285399 -4.860291      10.77869 
1 1 1 -6  18 17 o 337.2558 4.678975 1534.380       42.26947 1560.941      63.32480 1513.035       56.76746 339.8269 6.920425 334.6848 6.299123 5.142090       9.357950 
1 1 1 -6  18 18 o 136.5487 6.840899 259.4223       24.00967 229.4661      39.09323 277.5652       30.42364 129.8819 11.17814 143.2155 7.889285 -13.33363      13.68180 
1 1 1 -6  18 19 o 236.5989 5.602752 773.0856       34.54684 695.4595      54.73527 824.4849       44.53918 226.3169 8.981874 246.8810 6.699944 -20.56409      11.20550 
1 1 1 -6  18 20 o 35.13601 11.78781 -41.19984      30.85616 -87.96261     51.41171 -14.87141      38.57664 33.05267 16.28109 37.21935 17.05097 -4.166687      23.57561 
1 1 1 -6  18 21 o 136.0366 12.32118 244.8110       41.37511 396.4404      66.94180 151.0784       52.63215 169.7456 14.64588 102.3277 19.81779 67.41793       24.64237 
1 1 1 -6  18 22 o 67.33229 14.55762 69.31997       28.84378 67.53221      40.32741 71.19241       41.27150 66.53947 20.49166 68.12510 20.68305 -1.585625      29.11523 
1 1 1 -6  18 23 o 75.82448 12.82792 88.97144       26.42708 62.27341      37.59537 115.0485       37.15559 63.77852 19.80925 87.87045 16.30384 -24.09193      25.65583 
1 1 1 -6  18 24 o 46.39531 13.10086 5.523614       27.64498 57.73151      42.36684 -33.18740      36.48172 60.06613 21.12241 32.72448 15.50399 27.34165       26.20172 
1 1 1 -6  18 25 o 83.31090 13.46295 122.2324       30.50573 88.81553      46.29622 147.8750       40.55487 69.13744 22.05235 97.48435 15.44987 -28.34692      26.92591 
1 1 1 -6  18 26 o 46.21871 13.62877 30.75646       29.89030 56.76965      41.35313 2.297611       43.25341 53.26746 20.48187 39.16996 17.98517 14.09749       27.25754 
1 1 1 -6  20 1  o 145.5767 4.146333 287.1110       16.11978 298.1238      21.70672 273.5701       24.06956 148.7189 5.420567 142.4345 6.275808 6.284393       8.292666 
1 1 1 -6  20 2  o 277.6682 3.880854 1038.985       28.97790 1033.243      39.91892 1045.382       42.13250 276.8657 5.354590 278.4707 5.618939 -1.604950      7.761708 
1 1 1 -6  20 3  o 256.2637 3.841554 886.2333       26.45702 903.5444      36.51477 867.1015       38.38715 258.9121 5.237607 253.6152 5.621176 5.296890       7.683108 
1 1 1 -6  20 4  o 266.5911 3.853740 957.9368       27.65549 954.8140      38.61193 961.2263       39.62947 266.1487 5.387829 267.0335 5.511491 -0.8848572     7.707479 
1 1 1 -6  20 5  o 320.5981 4.154375 1385.700       35.86000 1411.148      50.84494 1360.513       50.58346 323.5297 5.836469 317.6665 5.913625 5.863251       8.308750 
1 1 1 -6  20 6  o 345.2522 4.313419 1607.057       40.09956 1601.405      56.61121 1612.748       56.80796 344.6430 6.100278 345.8615 6.099914 -1.218475      8.626839 
1 1 1 -6  20 7  o 691.9289 7.518739 6468.098       140.0270 6344.667      194.6635 6600.447       201.5733 685.1136 10.55209 698.7442 10.71350 -13.63062      15.03748 
1 1 1 -6  20 8  o 188.2131 4.195704 477.7919       21.24085 451.4382      29.99419 504.3039       30.08420 182.9977 6.087066 193.4284 5.776102 -10.43068      8.391407 
1 1 1 -6  20 9  o 485.9913 5.539016 3182.571       72.42550 3091.458      99.99182 3283.127       105.0452 478.6932 7.757536 493.2895 7.908441 -14.59628      11.07803 
1 1 1 -6  20 10 o 275.7803 4.127356 1025.155       30.64845 1030.710      43.52523 1019.691       43.16392 276.5209 5.845609 275.0397 5.828303 1.481140       8.254711 
1 1 1 -6  20 11 o 560.1980 6.264153 4230.364       94.36823 4111.549      129.5566 4364.646       137.7319 551.8574 8.718651 568.5386 8.996865 -16.68115      12.52831 
1 1 1 -6  20 12 o 171.9513 4.877341 401.1228       22.46307 432.3627      31.09127 367.0088       32.49002 179.0178 6.449988 164.8849 7.317888 14.13290       9.754683 
1 1 1 -6  20 13 o 86.56343 9.949799 110.8392       21.22627 151.2066      29.08608 64.84619       31.04671 105.6304 10.22617 67.49645 17.07101 38.13395       19.89960 
1 1 1 -6  20 14 o 210.2015 4.938474 597.6028       27.72860 601.2333      37.01416 592.9595       41.85971 210.9803 6.515424 209.4227 7.423164 1.557587       9.876948 
1 1 1 -6  20 15 f 412.4922 5.223433 2301.305       58.00457 2296.631      81.15824 2306.184       82.93224 412.0828 7.314165 412.9016 7.459221 -0.8187561     10.44687 
1 1 1 -6  20 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  20 17 o 208.3489 6.143767 589.4067       34.30401 585.8783      50.96976 592.3284       46.38070 207.6959 9.113838 209.0020 8.241448 -1.306091      12.28753 
1 1 1 -6  20 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  20 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  20 20 o 77.13794 13.32621 91.43622       27.69506 71.01415      41.86375 107.3298       36.93171 68.77035 20.82020 85.50552 16.63943 -16.73518      26.65242 
1 1 1 -6  20 21 o 42.71004 12.41135 6.443486       24.76233 -22.00298     35.95277 32.11593       34.15481 35.18185 16.24206 50.23823 18.77130 -15.05639      24.82270 
1 1 1 -6  20 22 o 46.37852 13.65468 18.05588       27.94495 6.104305      46.61139 24.76222       34.91582 45.82595 20.00420 46.93110 18.59121 -1.105145      27.30936 
1 1 1 -6  20 23 f 47.72173 13.96576 24.48617       28.74980 21.23425      47.10222 26.41702       36.29493 48.49709 20.62462 46.94637 18.83601 1.550713       27.93152 
1 1 1 -6  20 24 o 101.0690 11.76219 164.7019       30.47975 178.5418      49.22018 156.0936       38.81823 102.0227 18.60232 100.1152 14.39966 1.907463       23.52438 
1 1 1 -6  20 25 o 42.63896 13.32310 18.09791       30.85055 -2.456031     44.50172 37.11546       42.80619 38.42130 17.85320 46.85662 19.78087 -8.435314      26.64619 
1 1 1 -6  22 1  o 137.8638 4.755512 257.9245       17.45830 268.5187      23.31558 244.4039       26.33962 141.1258 6.135589 134.6018 7.267333 6.524002       9.511024 
1 1 1 -6  22 2  o 286.7553 4.087824 1109.061       31.53145 1124.244      43.79199 1092.714       45.43795 288.8035 5.631302 284.7072 5.927027 4.096344       8.175648 
1 1 1 -6  22 3  f 541.3373 6.069333 3954.997       88.44106 3919.883      123.3031 3992.203       126.9247 538.8776 8.497680 543.7970 8.668139 -4.919434      12.13867 
1 1 1 -6  22 4  o 628.0469 6.915811 5324.632       116.8769 5214.322      161.7713 5445.087       169.0464 621.2723 9.670213 634.8215 9.889425 -13.54913      13.83162 
1 1 1 -6  22 5  o 482.7941 5.532810 3145.322       71.92570 3141.823      101.4056 3148.864       102.0339 482.5266 7.804718 483.0615 7.844382 -0.5348206     11.06562 
1 1 1 -6  22 6  o 267.0168 4.119909 960.2533       29.60065 1012.390      42.55775 911.3932       41.19860 274.0344 5.767535 259.9992 5.884737 14.03522       8.239818 
1 1 1 -6  22 7  o 345.2349 4.466408 1607.668       41.51624 1587.756      58.24332 1628.235       59.19387 343.0634 6.305048 347.4064 6.327841 -4.343048      8.932816 
1 1 1 -6  22 8  o 158.7785 4.947261 339.2162       21.10529 310.5546      28.95117 371.7236       30.83235 151.6401 7.090366 165.9169 6.901325 -14.27686      9.894523 
1 1 1 -6  22 9  o 454.7862 5.349000 2794.684       65.50328 2795.545      92.69148 2793.825       92.57986 454.8554 7.568034 454.7169 7.561222 0.1384583      10.69800 
1 1 1 -6  22 10 o 126.7370 6.128425 217.3806       20.91212 214.0203      29.35617 220.8426       29.79717 125.7425 8.670295 127.7315 8.663507 -1.988937      12.25685 
1 1 1 -6  22 11 o 94.69548 8.277369 122.4939       21.02710 112.9826      30.17601 131.4709       29.31625 91.05515 12.30761 98.33581 11.07167 -7.280655      16.55474 
1 1 1 -6  22 12 o 55.84242 12.79153 39.86245       22.54172 24.71328      30.58537 57.87578       33.35157 47.79900 17.78236 63.88585 18.39242 -16.08686      25.58307 
1 1 1 -6  22 13 o 216.5111 5.299435 636.3201       30.72708 659.4470      41.80682 609.1500       45.31409 220.8651 7.029699 212.1571 7.932174 8.707932       10.59887 
1 1 1 -6  22 14 o 333.8342 7.169261 1508.526       64.44492 1508.526      64.44492 0.000000       0.000000 333.8342 7.169261 ?        ?        ?              ?        
1 1 1 -6  22 15 o 46.07473 13.72674 3.900312       29.14457 15.36419      43.07740 -5.776630      39.57790 49.88945 20.33793 42.26002 18.44079 7.629433       27.45349 
1 1 1 -6  22 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  22 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  22 18 o 48.74340 14.03369 17.56868       29.51744 -17.79279     52.93257 33.52748       35.55968 45.34428 20.45640 52.14252 19.21753 -6.798241      28.06738 
1 1 1 -6  22 19 o 69.58463 13.82891 69.37271       26.19559 101.6280      44.97664 52.81396       32.22553 80.09161 20.70391 59.07765 18.33856 21.01397       27.65781 
1 1 1 -6  22 20 o 101.2902 10.22422 145.1630       27.30414 168.4795      44.35945 130.9411       34.64460 107.1848 15.36985 95.39558 13.48727 11.78920       20.44844 
1 1 1 -6  22 21 o 47.65289 14.09525 21.27077       30.22989 -1.112356     53.11179 31.99682       36.76634 45.89859 20.61831 49.40718 19.22472 -3.508598      28.19051 
1 1 1 -6  22 22 o 92.94948 12.50557 136.8584       29.33416 159.9607      50.19815 124.8782       36.14856 96.02985 20.06013 89.86912 14.93816 6.160728       25.01115 
1 1 1 -6  22 23 f 40.91710 12.87114 10.93518       29.92579 -24.10687     50.17030 30.28880       37.28490 37.12203 17.75363 44.71217 18.64065 -7.590134      25.74228 
1 1 1 -6  24 1  o 40.52966 10.69193 6.370610       16.82066 -11.68767     21.18587 37.16696       27.66672 28.42962 12.87292 52.62969 17.07507 -24.20007      21.38387 
1 1 1 -6  24 2  o 645.2250 7.152431 5641.802       124.0754 5466.304      169.9115 5842.300       181.6103 634.5870 9.943703 655.8630 10.28357 -21.27594      14.30486 
1 1 1 -6  24 3  o 98.94537 7.222797 132.2212       18.86879 129.3458      24.27940 136.6063       29.98316 97.67222 9.231738 100.2185 11.11082 -2.546318      14.44559 
1 1 1 -6  24 4  o 322.2843 4.477200 1400.102       38.77182 1360.136      52.85182 1446.673       57.05200 317.3394 6.185182 327.2292 6.474936 -9.889709      8.954399 
1 1 1 -6  24 5  o 99.39347 7.334098 133.7889       19.56338 129.3225      26.43577 139.1962       29.08755 97.59194 10.05992 101.1950 10.67492 -3.603058      14.66820 
1 1 1 -6  24 6  o 138.2383 8.087963 258.7165       30.10585 0.000000      0.000000 258.7165       30.10585 ?        ?        138.2383 8.087963 ?              ?        
1 1 1 -6  24 7  o 260.8370 4.467803 918.3538       31.36725 889.0063      43.66758 949.6395       45.08641 256.5346 6.321640 265.1395 6.315211 -8.604889      8.935605 
1 1 1 -6  24 8  o 275.2962 4.594335 1023.864       34.05670 1029.417      48.26851 1018.359       48.05906 276.0400 6.493943 274.5524 6.500798 1.487671       9.188670 
1 1 1 -6  24 9  o 243.4053 4.826721 800.5375       31.62091 787.1351      43.94192 814.9315       45.53824 241.3029 6.762904 245.5078 6.888547 -4.204895      9.653442 
1 1 1 -6  24 10 o 207.0112 5.587097 579.6364       31.02962 568.4504      41.94748 593.1541       46.11266 204.8594 7.604427 209.1631 8.187509 -4.303619      11.17419 
1 1 1 -6  24 11 o 428.2782 7.637801 2484.458       88.08009 2484.458      88.08009 0.000000       0.000000 428.2782 7.637801 ?        ?        ?              ?        
1 1 1 -6  24 12 o 227.6694 5.922455 709.9517       36.02788 775.7264      49.66932 636.9202       52.33756 239.0480 7.716488 216.2909 8.986528 22.75710       11.84491 
1 1 1 -6  24 13 o 70.37294 15.85165 70.73822       34.62342 89.61786      48.13388 50.49606       49.84051 77.72265 22.00454 63.02322 22.82322 14.69942       31.70330 
1 1 1 -6  24 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  24 15 o 41.19423 13.15590 -12.81968      30.55042 -6.332986     47.57335 -17.37208      39.85403 44.18613 19.70455 38.20232 17.43678 5.983803       26.31180 
1 1 1 -6  24 16 o 53.27322 13.85208 37.92391       26.53686 18.81295      44.69022 48.33219       32.98078 49.41422 20.48817 57.13222 18.64818 -7.718002      27.70415 
1 1 1 -6  24 17 o 168.4640 6.782100 386.6133       29.75619 416.1043      49.45748 369.8812       37.25304 172.9118 10.62243 164.0162 8.435128 8.895584       13.56420 
1 1 1 -6  24 18 o 82.74965 12.75925 104.3333       27.28840 129.0114      43.29455 88.06725       35.14941 90.61535 18.37262 74.88395 17.70990 15.73140       25.51850 
1 1 1 -6  24 19 o 73.91430 14.30635 90.12981       29.07026 105.2277      44.89868 79.23235       38.14511 78.78720 20.84210 69.04140 19.60339 9.745804       28.61269 
1 1 1 -6  24 20 o 88.51613 12.83402 130.3464       29.20955 128.1581      47.30826 131.6945       37.13272 84.74002 20.87069 92.29224 14.94198 -7.552223      25.66804 
1 1 1 -6  24 21 o 41.05943 12.95991 12.72181       28.74472 8.550456      46.62370 15.27957       36.50889 41.62708 18.94548 40.49178 17.68914 1.135296       25.91982 
1 1 1 -6  26 1  o 207.5500 5.164594 582.6430       28.51493 572.8018      37.38488 596.3325       44.09257 205.5780 6.753611 209.5219 7.815424 -3.943939      10.32919 
1 1 1 -6  26 2  o 263.9221 4.822231 944.8484       34.07465 962.1736      46.04908 923.8819       50.65757 266.6850 6.412673 261.1593 7.203698 5.525696       9.644462 
1 1 1 -6  26 3  o 255.8552 4.925881 892.7909       33.52337 935.0983      44.72910 838.5690       50.63710 262.9472 6.317397 248.7631 7.559610 14.18411       9.851762 
1 1 1 -6  26 4  o 374.8740 5.094059 1902.676       51.34947 1885.382      70.64665 1922.047       74.76659 373.1232 7.031629 376.6247 7.372511 -3.501495      10.18812 
1 1 1 -6  26 5  o 71.36122 12.22388 69.32644       22.67868 54.24412      28.17822 97.06139       38.21142 61.19466 16.65519 81.52777 17.89687 -20.33311      24.44777 
1 1 1 -6  26 6  o 49.44614 12.95085 30.75313       23.58535 42.14885      30.44960 13.66249       37.28980 53.90657 17.93403 44.98572 18.68875 8.920853       25.90171 
1 1 1 -6  26 7  o 313.1384 5.177061 1350.701       43.58725 1412.658      61.08360 1286.427       62.21532 320.6861 7.073935 305.5908 7.560905 15.09537       10.35412 
1 1 1 -6  26 8  o 52.24572 20.34959 24.85703       41.22638 24.85703      41.22638 0.000000       0.000000 52.24572 20.34959 ?        ?        ?              ?        
1 1 1 -6  26 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  26 10 o 225.0945 6.814460 689.3196       41.23022 641.4332      58.22342 737.4863       58.39362 217.1738 9.956503 233.0152 9.306745 -15.84137      13.62892 
1 1 1 -6  26 11 o 146.6599 11.40335 305.2535       45.03261 305.2535      45.03261 0.000000       0.000000 146.6599 11.40335 ?        ?        ?              ?        
1 1 1 -6  26 12 o 122.8456 9.212784 206.7197       30.00391 162.9389      39.64717 265.3994       45.90015 107.7056 13.67069 137.9856 12.35369 -30.27999      18.42557 
1 1 1 -6  26 13 o 49.99696 13.32053 19.40867       28.21799 60.69349      39.33710 -24.35509      40.50089 62.83380 20.35769 37.16013 17.18461 25.67367       26.64107 
1 1 1 -6  26 14 o 93.45363 11.87282 131.9247       28.47020 174.5072      40.34545 89.68873       40.18093 110.8806 13.51312 76.02662 19.52564 34.85402       23.74563 
1 1 1 -6  26 15 o 43.88552 13.18421 9.464646       27.39967 -1.234325     38.01160 21.03605       39.53103 40.47290 17.85326 47.29815 19.40503 -6.825249      26.36843 
1 1 1 -6  26 16 o 132.9418 8.678042 252.1464       30.81819 235.2461      40.62903 275.0453       47.29311 128.0936 11.77946 137.7899 12.74668 -9.696228      17.35608 
1 1 1 -6  26 17 o 31.11191 10.69450 -53.42731      28.36423 -39.81512     36.76786 -73.43554      44.57676 31.29996 15.02954 30.92386 15.21848 0.3760948      21.38900 
1 1 1 -6  26 18 f 58.20356 13.29037 54.32263       29.03234 104.4453      40.20592 -0.2858016     41.96650 76.48382 19.47173 39.92329 18.09386 36.56052       26.58074 
1 1 1 -6  26 19 o 42.25544 13.09426 17.18754       29.83267 -10.16884     45.93526 37.14301       39.23267 37.71053 17.72190 46.80036 19.28142 -9.089828      26.18852 
1 1 1 -6  28 1  o 54.78382 13.30239 43.27100       23.81152 51.14949      29.20287 27.64222       41.13078 58.48479 17.31820 51.08285 20.19638 7.401943       26.60477 
1 1 1 -6  28 2  o 101.1647 10.70700 159.9645       25.31631 184.0573      31.33706 114.6944       42.95565 115.3964 10.08515 86.93304 18.89045 28.46340       21.41400 
1 1 1 -6  28 3  o 138.9384 7.326712 264.5758       26.64771 256.8734      33.72647 277.3737       43.47366 136.6742 9.164338 141.2025 11.43406 -4.528336      14.65342 
1 1 1 -6  28 4  o 46.07779 12.84133 15.70869       25.83473 39.89489      33.08973 -22.05228      41.34575 53.71450 18.67951 38.44108 17.62599 15.27341       25.68267 
1 1 1 -6  28 5  o 129.0297 7.883523 238.3002       26.48746 265.5464      34.76507 200.5987       40.89489 138.7313 9.306479 119.3281 12.72750 19.40321       15.76705 
1 1 1 -6  28 6  o 57.55123 13.12907 47.09003       22.79750 37.39617      29.04388 62.64848       36.79505 51.32454 17.51574 63.77792 19.56245 -12.45338      26.25815 
1 1 1 -6  28 7  o 116.7694 8.132891 184.8228       25.06658 158.7351      31.83016 227.4181       40.67258 106.4644 11.10328 127.0745 11.88667 -20.61009      16.26578 
1 1 1 -6  28 8  o 53.74068 13.03341 36.16509       25.76149 67.76951      35.23697 -0.1234503     37.75805 66.24700 18.85222 41.23436 18.00203 25.01264       26.06682 
1 1 1 -6  28 9  o 93.86769 10.81649 133.1681       25.49091 153.3719      33.48209 105.3107       39.31569 104.5585 11.89241 83.17693 18.07088 21.38153       21.63299 
1 1 1 -6  28 10 o 120.6256 8.737488 211.9604       27.42424 244.6101      36.57491 170.0306       41.44809 132.4714 10.25363 108.7798 14.15054 23.69164       17.47498 
1 1 1 -6  28 11 o 56.64006 14.15164 45.72947       26.53788 34.09378      33.84643 64.29766       42.75644 50.07568 18.69113 63.20445 21.25364 -13.12877      28.30328 
1 1 1 -6  28 12 o 49.71812 13.46355 20.41525       26.93553 -8.772079     34.73032 64.47036       42.66873 36.70046 16.56221 62.73579 21.23116 -26.03533      26.92710 
1 1 1 -6  28 13 o 106.6666 10.03069 167.2865       27.83194 160.9691      34.91983 178.2888       46.08333 105.1976 12.32772 108.1356 15.82675 -2.937965      20.06137 
1 1 1 -6  28 14 o 120.5421 9.545572 218.6403       30.07487 220.6683      38.49629 215.4637       48.17916 122.8644 11.63615 118.2198 15.13512 4.644646       19.09114 
1 1 1 -6  28 15 o 53.60346 14.55218 48.53009       29.68011 33.17011      39.60167 68.21452       44.83112 47.62615 19.46737 59.58078 21.63527 -11.95462      29.10435 
1 1 1 -6  28 16 o 123.1189 9.795183 241.0576       32.31128 219.8460      43.15914 268.1071       48.73785 117.2791 13.66686 128.9587 14.03564 -11.67963      19.59037 
1 1 1 -6  30 1  o 83.99353 10.93555 107.0060       23.54108 104.8026      30.02341 110.5228       37.92995 84.61755 13.17699 83.36951 17.45601 1.248047       21.87110 
1 1 1 -6  30 2  o 63.07281 12.25726 50.72491       23.99904 13.07505      30.05290 116.9934       39.87111 40.46529 16.79140 85.68032 17.86087 -45.21503      24.51452 
1 1 1 -6  30 3  o 51.56932 12.08553 37.99221       23.63743 67.31149      29.91341 -10.75006      38.56934 65.12969 16.90833 38.00895 17.27278 27.12075       24.17107 
1 1 1 -6  30 4  o 162.2092 6.677557 376.2063       28.10057 398.2054      35.99081 341.8549       44.97404 169.4170 7.889530 155.0014 10.77564 14.41562       13.35511 
1 1 1 -6  30 5  o 132.6631 7.694870 250.4212       26.96299 247.7787      34.87489 254.3478       42.51218 132.5159 9.773750 132.8102 11.88772 -0.2942352     15.38974 
1 1 1 -6  30 6  o 116.9686 8.160502 197.4043       25.40941 199.4272      33.67471 194.7299       38.71987 118.2804 10.57323 115.6568 12.43310 2.623611       16.32100 
1 1 1 -6  30 7  o 46.79749 10.68106 9.969706       23.62151 73.16490      30.56520 -83.74678      37.22144 67.35121 16.88551 26.24376 13.08508 41.10746       21.36211 
1 1 1 -6  30 8  o 134.9641 7.234790 260.3912       26.08575 258.0661      34.75813 263.3897       39.47135 134.7707 9.578056 135.1576 10.84572 -0.3868256     14.46958 
1 1 1 -6  30 9  o 50.48660 13.35246 40.23746       24.44426 42.79973      32.54210 36.91975       37.02989 51.40094 18.46516 49.57225 19.29224 1.828690       26.70492 
1 1 1 -6  30 10 o 41.76720 12.43922 14.92215       25.13965 32.70194      33.04563 -9.505184      38.73368 46.71286 18.21225 36.82153 16.94847 9.891335       24.87844 
1 1 1 -6  30 11 o 100.9110 11.04011 169.4010       28.05222 180.6072      36.31911 152.8296       44.16569 108.6760 12.41133 93.14600 18.26185 15.52998       22.08022 
1 1 1 -6  30 12 o 45.00570 12.92670 28.94795       26.59170 53.82340      35.98861 -0.9637087     39.46389 52.69901 19.34657 37.31240 17.14960 15.38660       25.85341 
1 1 1 -6  32 2  o 49.53526 13.59738 46.18132       25.66818 47.00214      32.28340 44.77063       42.32232 50.08158 18.33300 48.98894 20.08622 1.092636       27.19477 
1 1 1 -6  32 3  o 62.07426 12.57710 78.37809       25.00158 101.9244      31.59865 38.96067       40.88382 76.93762 15.78211 47.21091 19.58721 29.72672       25.15420 
1 1 1 -6  32 4  o 49.97630 12.54901 47.33641       23.40185 63.23161      29.08484 18.15274       39.40975 58.58852 17.26524 41.36409 18.21598 17.22443       25.09802 
1 1 1 -5  1  1  o 680.6511 7.191216 6240.153       131.7983 6248.052      186.5739 6232.285       186.2085 681.0810 10.17346 680.2213 10.16637 0.8596802      14.38243 
1 1 1 -5  1  2  o 1595.839 23.84274 34412.16       1023.426 33501.13      1408.351 35431.56       1489.764 1573.602 33.23783 1618.075 34.19285 -44.47339      47.68547 
1 1 1 -5  1  3  o 1084.691 11.43314 15842.43       333.6651 16248.22      483.6317 15473.84       460.9338 1097.918 16.35918 1071.464 15.97634 26.45325       22.86627 
1 1 1 -5  1  4  o 1205.374 12.69896 19587.56       412.1528 19688.54      585.8257 19488.59       579.9626 1208.446 18.00353 1202.302 17.91443 6.143555       25.39791 
1 1 1 -5  1  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  1  6  o 1301.812 19.40820 22867.88       680.3256 0.000000      0.000000 22867.88       680.3256 ?        ?        1301.812 19.40820 ?              ?        
1 1 1 -5  1  7  o 1287.283 13.57715 22375.16       470.6151 22353.30      664.9928 22397.10       666.1090 1286.655 19.19427 1287.912 19.20772 -1.257202      27.15430 
1 1 1 -5  1  8  o 425.1692 4.542150 2434.418       52.00027 2427.104      73.45412 2441.768       73.62516 424.5289 6.425775 425.8095 6.421367 -1.280640      9.084301 
1 1 1 -5  1  9  o 442.5995 4.737743 2637.703       56.45836 2655.549      80.47540 2620.406       79.22757 444.0732 6.730157 441.1259 6.670071 2.947296       9.475487 
1 1 1 -5  1  10 o 218.4689 3.207187 642.2899       17.92186 643.8301      30.58558 641.4846       22.11643 218.6646 5.194633 218.2732 3.762975 0.3914032      6.414374 
1 1 1 -5  1  11 o 416.6711 5.525739 2342.901       58.72040 2323.844      100.5507 2352.764       72.33695 415.3584 8.990390 417.9837 6.427135 -2.625336      11.05148 
1 1 1 -5  1  12 f 790.9015 9.762487 8401.245       181.7868 8489.295      359.1964 8370.929       210.7725 793.4893 16.81154 788.3137 9.929592 5.175537       19.52497 
1 1 1 -5  1  13 o 501.0046 8.553954 3381.264       115.3963 0.000000      0.000000 3381.264       115.3963 ?        ?        501.0046 8.553954 ?              ?        
1 1 1 -5  1  14 o 101.2368 7.036380 138.0751       19.18099 138.0751      19.18099 0.000000       0.000000 101.2368 7.036380 ?        ?        ?              ?        
1 1 1 -5  1  15 o 603.2014 13.01654 4923.712       211.4177 4923.712      211.4177 0.000000       0.000000 603.2014 13.01654 ?        ?        ?              ?        
1 1 1 -5  1  16 o 213.1016 6.455948 612.6088       37.04506 612.6088      37.04506 0.000000       0.000000 213.1016 6.455948 ?        ?        ?              ?        
1 1 1 -5  1  17 o 213.4650 9.574764 647.5992       35.66944 656.7040      38.16800 584.8082       100.2334 220.5748 6.426288 206.3553 18.03905 14.21951       19.14953 
1 1 1 -5  1  18 f 228.8767 9.546344 745.7617       41.95808 760.4407      45.76480 668.3759       105.0788 237.2514 7.163735 220.5020 17.69779 16.74931       19.09269 
1 1 1 -5  1  19 o 493.5493 9.132144 3310.926       116.9710 3321.339      147.1644 3293.061       192.7578 495.1608 11.03756 491.9378 14.55186 3.222931       18.26429 
1 1 1 -5  1  20 o 89.50591 18.22832 81.55930       29.12717 74.79144      30.36189 159.7300       103.1870 72.75474 15.93899 106.2571 32.78772 -33.50233      36.45664 
1 1 1 -5  1  21 o 66.52657 18.20593 40.95229       30.44949 41.85455      31.84562 31.33366       103.9777 56.37189 18.32077 76.68126 31.46701 -20.30937      36.41186 
1 1 1 -5  1  22 o 277.6469 9.813403 1060.928       51.43616 1067.473      55.68483 1022.882       134.2584 281.3035 7.351540 273.9902 18.19798 7.313354       19.62681 
1 1 1 -5  1  23 o 246.3368 9.877091 856.3403       47.12801 870.0925      51.44876 784.6276       117.4864 253.7644 7.529408 238.9092 18.26296 14.85521       19.75418 
1 1 1 -5  1  24 o 224.1370 10.25260 692.3507       44.16298 694.1156      47.97150 682.5407       113.0975 226.4653 7.866800 221.8086 18.93612 4.656738       20.50520 
1 1 1 -5  1  25 o 143.8495 19.12159 486.3063       51.13124 544.9746      54.47446 51.87272       148.2357 200.1178 10.10936 87.58117 36.88281 112.5367       38.24318 
1 1 1 -5  1  26 o 254.7859 14.98959 834.5096       66.56387 787.7844      70.40964 1227.526       204.2026 237.6255 11.00413 271.9462 27.88656 -34.32069      29.97918 
1 1 1 -5  1  27 o 137.7869 25.23523 331.3708       54.67961 323.3234      56.24825 469.6471       233.1591 150.1953 13.90815 125.3785 48.51630 24.81684       50.47046 
1 1 1 -5  1  28 o 186.4018 22.29482 640.1833       50.71294 647.7292      52.60608 540.9661       190.7541 216.7006 9.015554 156.1029 43.66870 60.59766       44.58964 
1 1 1 -5  1  29 f 61.37600 16.66899 61.62003       40.29789 82.34841      42.16892 -156.5382      136.8030 70.13501 20.82043 52.61700 26.03711 17.51801       33.33799 
1 1 1 -5  1  30 o 50.00832 17.05108 -11.62350      43.57285 -26.10036     46.79180 82.86821       119.5445 37.25975 17.62501 62.75689 29.19446 -25.49714      34.10216 
1 1 1 -5  3  1  o 689.7604 8.957295 6386.020       155.9244 6340.900      189.5574 6480.424       274.1947 686.1000 10.26054 693.4209 14.68516 -7.320923      17.91459 
1 1 1 -5  3  2  o 149.2343 2.518960 301.7827       9.341482 304.9184      11.25494 294.8395       16.74764 150.4900 2.777488 147.9785 4.203117 2.511414       5.037920 
1 1 1 -5  3  3  o 684.5703 7.224033 6312.367       133.1615 6324.814      188.7094 6300.022       187.9306 685.2421 10.22742 683.8984 10.20522 1.343628       14.44807 
1 1 1 -5  3  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  5  o 674.3605 7.126846 6118.337       129.2767 5960.123      177.9975 6294.959       188.0676 665.1520 9.938246 683.5690 10.21758 -18.41699      14.25369 
1 1 1 -5  3  6  o 111.6092 2.227690 167.2333       6.678876 174.4810      9.862498 161.0940       9.077030 113.8361 3.217536 109.3823 3.081863 4.453812       4.455380 
1 1 1 -5  3  7  o 541.4456 7.006450 3999.314       98.20030 3764.037      160.4937 4140.105       124.1528 528.4991 11.27795 554.3920 8.316801 -25.89294      14.01290 
1 1 1 -5  3  8  o 748.5405 11.17875 7549.051       225.2065 7406.278      312.6505 7703.011       324.6697 741.1986 15.66539 755.8823 15.95160 -14.68372      22.35750 
1 1 1 -5  3  9  o 626.1165 8.196067 5267.844       130.9773 5323.038      224.9646 5239.542       161.0965 628.5302 13.29244 623.7029 9.592347 4.827271       16.39213 
1 1 1 -5  3  10 o 433.3550 6.548576 2527.945       76.37962 2574.688      110.0281 2484.470       106.1125 437.2176 9.345928 429.4923 9.175459 7.725281       13.09715 
1 1 1 -5  3  11 o 653.2262 9.783638 5750.964       172.0740 5795.039      245.1601 5708.167       241.5781 655.6901 13.88570 650.7623 13.78643 4.927734       19.56728 
1 1 1 -5  3  12 o 1147.122 14.86381 17808.07       435.9574 17617.45      741.9352 17908.59       538.7808 1141.944 24.12891 1152.299 17.36455 -10.35486      29.72763 
1 1 1 -5  3  13 o 575.1580 6.587358 4456.391       101.8614 4468.514      148.3304 4445.572       140.1269 575.8867 9.565544 574.4293 9.059443 1.457397       13.17472 
1 1 1 -5  3  14 o 326.9547 4.791037 1436.283       41.40606 1461.252      65.35681 1419.542       53.51617 329.2989 7.370844 324.6104 6.122647 4.688477       9.582074 
1 1 1 -5  3  15 o 69.63414 6.925032 66.35896       12.80828 73.89249      17.45265 57.56526       18.85593 73.99585 8.759325 65.27243 10.72840 8.723419       13.85006 
1 1 1 -5  3  16 o 325.9595 6.804884 1405.411       51.61871 1375.319      59.25442 1500.117       105.1211 319.2415 6.893154 332.6775 11.73500 -13.43597      13.60977 
1 1 1 -5  3  17 o 107.0822 13.73149 168.8889       20.23579 170.2881      21.04613 151.7616       73.63406 112.2798 6.961251 101.8847 26.56607 10.39507       27.46298 
1 1 1 -5  3  18 o 346.8478 7.407670 1697.057       63.28851 1810.064      77.00936 1461.919       111.0842 365.9147 7.815922 327.7809 12.58593 38.13382       14.81534 
1 1 1 -5  3  19 o 205.5500 8.738849 573.7424       33.04943 574.0386      35.55083 571.8569       89.69320 206.2871 6.400212 204.8129 16.26368 1.474136       17.47770 
1 1 1 -5  3  20 o 207.0184 9.173127 649.0958       37.03916 685.9452      40.97536 484.4695       86.60791 225.5013 6.748236 188.5355 17.06008 36.96588       18.34625 
1 1 1 -5  3  21 o 64.79810 16.53958 8.147487       26.94282 -5.828354     28.55566 121.4896       81.32026 35.87502 15.65899 93.72117 29.13807 -57.84615      33.07916 
1 1 1 -5  3  22 o 177.3277 12.53950 506.2371       36.90254 533.0314      39.67002 334.0515       100.5634 198.7748 7.411698 155.8805 23.95878 42.89424       25.07900 
1 1 1 -5  3  23 o 97.07574 17.75019 127.8791       32.99910 127.4807      34.86114 131.3126       102.3392 96.73689 13.38339 97.41460 32.88103 -0.6777115     35.50039 
1 1 1 -5  3  24 o 312.4388 9.169398 1261.655       58.70625 1224.941      64.26810 1446.650       144.2656 300.8295 7.933990 324.0481 16.53370 -23.21860      18.33880 
1 1 1 -5  3  25 o 129.7306 21.25616 288.3104       48.92377 299.3716      51.48736 185.4583       157.0023 147.8116 12.93626 111.6497 40.49631 36.16190       42.51233 
1 1 1 -5  3  26 o 91.21108 26.27404 35.48882       61.17508 17.58855      63.93814 229.2715       210.3719 58.95792 24.48075 123.4642 46.49725 -64.50633      52.54809 
1 1 1 -5  3  27 o 258.9315 16.41063 1069.043       71.45995 1091.776      76.58428 916.0239       198.6954 281.5663 10.10126 236.2966 31.22819 45.26970       32.82126 
1 1 1 -5  3  28 o 116.5807 20.27374 228.4795       48.77864 227.2185      52.42635 236.6066       133.0971 125.4937 15.51473 107.6678 37.46186 17.82595       40.54748 
1 1 1 -5  3  29 o 71.64885 19.58803 85.11131       45.67874 77.29534      50.56279 119.8065       106.5306 66.96300 23.10165 76.33471 31.63982 -9.371712      39.17607 
1 1 1 -5  3  30 o 65.49085 18.75174 86.78706       44.10614 74.89137      48.92663 138.3883       101.9015 61.48655 22.55993 69.49515 29.95931 -8.008595      37.50347 
1 1 1 -5  5  1  o 652.4156 8.503357 5738.844       141.1444 5742.108      173.2819 5732.409       243.3053 652.8151 9.857791 652.0162 13.85829 0.7988281      17.00671 
1 1 1 -5  5  2  o 484.3371 7.345455 3154.361       95.63592 3269.025      140.2168 3054.619       130.7754 492.5430 10.57238 476.1311 10.20038 16.41190       14.69091 
1 1 1 -5  5  3  o 133.1446 3.032481 236.5424       10.37739 245.8851      17.68093 231.6327       12.81727 135.1293 4.859284 131.1599 3.629203 3.969421       6.064961 
1 1 1 -5  5  4  o 372.0301 8.036874 1864.380       80.50977 0.000000      0.000000 1864.380       80.50977 ?        ?        372.0301 8.036874 ?              ?        
1 1 1 -5  5  5  o 935.1573 9.930898 11785.95       249.9775 11580.16      347.9056 12005.57       359.4187 926.7335 13.94194 943.5812 14.14614 -16.84778      19.86180 
1 1 1 -5  5  6  o 377.9644 6.143212 1923.812       62.52156 1923.812      62.52156 0.000000       0.000000 377.9644 6.143212 ?        ?        ?              ?        
1 1 1 -5  5  7  o 126.6082 3.294656 217.0679       11.04781 208.6956      17.07412 223.0976       14.48993 124.4948 5.093349 128.7216 4.180530 -4.226784      6.589312 
1 1 1 -5  5  8  o 366.1989 5.013359 1810.749       47.19977 1789.425      79.38611 1822.408       58.70242 364.5139 8.088111 367.8838 5.926003 -3.369965      10.02672 
1 1 1 -5  5  9  o 894.7239 11.60800 10789.44       263.9463 10797.75      456.2182 10785.25       323.6045 894.7958 18.93500 894.6520 13.43312 0.1437988      23.21601 
1 1 1 -5  5  10 o 487.0290 6.420084 3198.435       80.11932 3184.344      135.9813 3205.927       99.15858 486.1675 10.38747 487.8905 7.547873 -1.722961      12.84017 
1 1 1 -5  5  11 f 477.9662 6.332403 3069.071       77.42359 3102.427      132.3776 3051.728       95.45182 479.9040 10.24417 476.0284 7.446770 3.875549       12.66481 
1 1 1 -5  5  12 o 706.9072 9.219661 6729.863       166.0812 6756.372      285.7186 6716.336       204.1044 707.8147 14.99117 705.9997 10.73654 1.815002       18.43932 
1 1 1 -5  5  13 o 296.0787 4.248192 1183.768       33.05025 1166.781      52.67402 1194.799       42.44514 294.3078 6.646781 297.8496 5.292338 -3.541840      8.496384 
1 1 1 -5  5  14 o 420.7166 5.718331 2373.245       61.78611 2432.864      105.0918 2341.751       76.38143 424.6276 9.191306 416.8057 6.805668 7.821869       11.43666 
1 1 1 -5  5  15 o 129.8449 4.012262 227.3745       14.01251 229.4081      19.41399 225.1630       20.24551 130.4555 5.526739 129.2343 5.817917 1.221176       8.024525 
1 1 1 -5  5  16 o 316.4519 4.749050 1350.705       39.94598 1356.391      61.69205 1346.600       52.41840 316.9649 7.228273 315.9389 6.161653 1.026001       9.498099 
1 1 1 -5  5  17 o 85.07600 6.843572 102.3503       14.98728 121.7898      19.88007 76.75546       22.81145 94.93616 7.776836 75.21586 11.26316 19.72030       13.68714 
1 1 1 -5  5  18 o 96.86741 13.29185 116.3577       19.58207 113.3556      20.41938 150.7271       69.09090 91.59286 8.279374 102.1420 25.26153 -10.54910      26.58369 
1 1 1 -5  5  19 o 72.07445 12.63138 100.0163       21.75649 114.4024      22.89517 -33.91542      69.85764 92.01363 9.240772 52.13527 23.51202 39.87836       25.26276 
1 1 1 -5  5  20 o 214.6161 7.671454 644.8387       35.16352 659.8102      39.45560 587.0382       77.52508 221.1894 6.624621 208.0428 13.83905 13.14659       15.34291 
1 1 1 -5  5  21 o 432.9080 8.032146 2562.459       91.59228 2684.764      119.5114 2388.372       142.5835 445.7888 9.956277 420.0273 12.60690 25.76151       16.06429 
1 1 1 -5  5  22 o 317.1880 7.646801 1416.250       58.49691 1492.610      69.88625 1237.553       106.9107 332.4679 7.806541 301.9082 13.15113 30.55969       15.29360 
1 1 1 -5  5  23 f 260.9481 8.031061 930.1689       46.14039 933.5137      52.06141 917.9223       99.61832 262.7807 7.357647 259.1154 14.27784 3.665344       16.06212 
1 1 1 -5  5  24 o 65.94809 17.58239 21.73839       31.02613 9.240877      33.20007 107.9008       87.17384 43.25463 17.76908 88.64156 30.34504 -45.38692      35.16477 
1 1 1 -5  5  25 o 91.35435 20.47904 90.01126       41.53778 76.24601      44.45975 184.5280       116.5009 72.80404 21.31565 109.9047 34.97440 -37.10062      40.95809 
1 1 1 -5  5  26 o 225.6931 31.92572 727.3669       194.0181 0.000000      0.000000 727.3669       194.0181 ?        ?        225.6931 31.92572 ?              ?        
1 1 1 -5  5  27 o 206.6444 13.49063 561.3260       52.85337 534.7677      56.78493 733.4409       144.5580 196.3996 10.73765 216.8891 24.75261 -20.48944      26.98127 
1 1 1 -5  5  28 f 96.95934 19.38294 149.6071       41.92469 142.7867      45.22536 191.2825       111.7938 96.56590 18.05686 97.35278 34.30370 -0.7868729     38.76588 
1 1 1 -5  5  29 f 54.01408 17.16833 19.01641       42.92481 13.92789      47.85231 39.97713       97.12032 46.82271 20.35678 61.20546 27.65154 -14.38275      34.33666 
1 1 1 -5  5  30 o 44.53390 14.46576 11.75941       38.07613 28.28792      42.00977 -64.30620      90.12135 45.64432 19.44617 43.42348 21.42146 2.220840       28.93151 
1 1 1 -5  7  1  o 366.0696 4.952927 1774.195       44.97705 1728.460      53.64368 1882.442       82.52780 358.2774 5.560525 373.8619 8.197957 -15.58453      9.905853 
1 1 1 -5  7  2  o 723.0980 7.670527 7043.053       149.3362 6977.537      209.4527 7110.795       212.9779 719.6798 10.80844 726.5162 10.88694 -6.836426      15.34105 
1 1 1 -5  7  3  o 790.1305 8.375995 8411.544       178.2042 8400.348      252.1263 8422.720       251.9114 789.6044 11.85837 790.6565 11.83250 -1.052063      16.75199 
1 1 1 -5  7  4  o 528.3582 5.655195 3758.394       80.42892 3805.595      115.5276 3714.000       112.0399 531.5746 8.071199 525.1417 7.923424 6.432922       11.31039 
1 1 1 -5  7  5  o 337.1599 3.775839 1530.619       34.26883 1532.753      49.09207 1528.591       47.85838 337.3885 5.403780 336.9312 5.275132 0.4572754      7.551679 
1 1 1 -5  7  6  o 585.5347 6.269217 4616.004       98.81132 4677.243      141.9127 4558.376       137.6647 589.3010 8.943359 581.7683 8.787984 7.532654       12.53843 
1 1 1 -5  7  7  o 444.4216 4.885941 2655.503       58.40766 2569.979      80.38016 2751.179       85.01652 436.8537 6.833284 451.9895 6.985406 -15.13580      9.771881 
1 1 1 -5  7  8  o 203.6627 4.189015 558.4871       22.97242 0.000000      0.000000 558.4871       22.97242 ?        ?        203.6627 4.189015 ?              ?        
1 1 1 -5  7  9  o 464.1402 5.143556 2899.932       64.23569 2933.940      92.86776 2868.737       88.94511 466.7457 7.389265 461.5347 7.157054 5.211029       10.28711 
1 1 1 -5  7  10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  12 o 216.3138 3.247796 626.2498       18.73042 656.7725      28.85982 604.0364       24.62013 220.8366 4.853323 211.7910 4.317172 9.045547       6.495593 
1 1 1 -5  7  13 o 275.9387 3.681023 1022.720       27.18052 1052.181      41.03329 999.6860       36.28185 279.4608 5.452957 272.4166 4.946208 7.044189       7.362046 
1 1 1 -5  7  14 o 56.99643 6.630267 45.66027       9.658185 38.79116      14.74947 50.81657       12.77895 52.61995 10.77247 61.37291 7.732768 -8.752960      13.26053 
1 1 1 -5  7  15 o 48.99662 8.104762 34.06868       10.60837 26.00420      15.12028 41.88667       14.88743 43.26975 12.36178 54.72348 10.48499 -11.45374      16.20952 
1 1 1 -5  7  16 o 101.8434 4.508533 139.3217       12.32610 131.2552      16.65485 149.0909       18.32857 98.60498 6.272756 105.0818 6.477653 -6.476814      9.017065 
1 1 1 -5  7  17 o 237.2289 3.931750 758.3765       25.02694 769.2319      37.09641 749.3082       33.90533 238.7666 5.769989 235.6912 5.342460 3.075394       7.863501 
1 1 1 -5  7  18 o 137.1965 4.577883 247.8784       16.69553 216.2042      21.61855 294.6859       26.28039 126.6013 6.341692 147.7918 6.603861 -21.19058      9.155766 
1 1 1 -5  7  19 o 266.4279 4.359745 954.5626       31.23334 900.7094      42.87361 1015.464       45.59293 258.4433 6.160861 274.4126 6.170354 -15.96933      8.719489 
1 1 1 -5  7  20 o 294.2249 6.747243 1167.325       53.45510 1167.325      53.45510 0.000000       0.000000 294.2249 6.747243 ?        ?        ?              ?        
1 1 1 -5  7  21 o 219.6534 13.87621 743.0850       67.84982 500.8204      128.6725 836.3912       79.85384 190.7036 25.05782 248.6031 11.92905 -57.89946      27.75241 
1 1 1 -5  7  22 o 381.2763 7.203599 1933.725       66.71632 1887.709      78.44083 2054.072       126.8550 373.7370 7.794579 388.8156 12.11660 -15.07852      14.40720 
1 1 1 -5  7  23 o 271.1628 7.286959 1010.595       45.88031 1022.589      53.05782 975.0411       91.34974 275.0069 7.165102 267.3188 12.69096 7.688080       14.57392 
1 1 1 -5  7  24 o 351.1721 8.357465 1688.195       69.02076 1693.204      80.17571 1673.857       135.6468 353.3751 8.426041 348.9690 14.43575 4.406036       16.71493 
1 1 1 -5  7  25 o 111.4532 18.84977 211.3681       42.91114 211.7368      46.20725 209.0565       115.6901 121.3896 14.13661 101.5167 34.94870 19.87289       37.69954 
1 1 1 -5  7  26 o 90.63164 21.72386 144.7513       55.64558 150.7003      59.54441 103.7355       156.3497 96.78765 23.15761 84.47563 36.76178 12.31202       43.44771 
1 1 1 -5  7  27 o 79.46989 20.95950 59.99799       41.95285 39.30489      44.59438 219.3072       123.7336 55.48607 21.28496 103.4537 36.11306 -47.96764      41.91900 
1 1 1 -5  7  28 o 84.21205 19.14513 115.8380       40.12616 108.1540      43.51300 159.5133       103.7395 81.53079 19.97709 86.89331 32.66589 -5.362518      38.29027 
1 1 1 -5  7  29 o 51.43564 15.75054 26.16040       42.69333 54.10548      47.92579 -81.26315      93.96505 56.80149 21.99158 46.06979 22.55412 10.73171       31.50108 
1 1 1 -5  7  30 o 52.05277 15.84442 55.27738       40.02147 63.73208      45.18535 24.49983       86.21156 54.98684 21.33558 49.11871 23.43022 5.868137       31.68883 
1 1 1 -5  9  1  o 760.8631 8.086210 7791.358       165.5432 7616.245      228.8445 7983.580       239.7638 751.9090 11.30295 769.8172 11.56678 -17.90820      16.17242 
1 1 1 -5  9  2  o 596.6360 6.360321 4793.928       102.1740 4756.271      143.4522 4832.702       145.5627 594.2589 8.964953 599.0131 9.024652 -4.754150      12.72064 
1 1 1 -5  9  3  o 698.3599 7.415191 6568.630       139.4238 6625.972      198.9603 6513.302       195.4370 701.3525 10.53530 695.3672 10.43780 5.985291       14.83038 
1 1 1 -5  9  4  o 1134.468 11.98128 17349.09       365.9706 17472.95      521.4092 17228.82       513.7960 1138.453 17.00905 1130.483 16.87886 7.969727       23.96255 
1 1 1 -5  9  5  o 288.9072 3.340800 1123.445       25.98403 1095.974      36.35636 1152.128       37.15043 285.2984 4.732577 292.5161 4.716619 -7.217621      6.681600 
1 1 1 -5  9  6  o 241.0877 2.994375 782.3386       19.41451 788.1766      28.21468 777.0886       26.75587 241.9410 4.330941 240.2345 4.136190 1.706573       5.988749 
1 1 1 -5  9  7  o 138.6231 2.795081 259.0269       10.42070 250.6670      14.94543 266.9364       14.53725 136.4436 4.067914 140.8026 3.834319 -4.358978      5.590163 
1 1 1 -5  9  8  o 289.6062 3.486138 1129.396       27.18351 1113.960      38.44208 1144.834       38.44451 287.6267 4.963572 291.5858 4.896488 -3.959076      6.972276 
1 1 1 -5  9  9  o 340.8028 3.963290 1564.121       36.36833 1552.496      51.53768 1575.651       51.32813 339.5411 5.637014 342.0645 5.572679 -2.523438      7.926580 
1 1 1 -5  9  10 o 142.1479 5.265614 272.1079       20.15453 272.1079      20.15453 0.000000       0.000000 142.1479 5.265614 ?        ?        ?              ?        
1 1 1 -5  9  11 o 237.9204 3.385528 764.5130       21.46899 746.6480      32.57324 778.2346       28.54706 235.4501 5.137818 240.3908 4.410220 -4.940704      6.771057 
1 1 1 -5  9  12 o 205.2489 5.273914 567.6125       29.14723 567.6125      29.14723 0.000000       0.000000 205.2489 5.273914 ?        ?        ?              ?        
1 1 1 -5  9  13 o 287.7428 5.045148 1115.783       39.08965 0.000000      0.000000 1115.783       39.08965 ?        ?        287.7428 5.045148 ?              ?        
1 1 1 -5  9  14 o 239.9778 4.739809 776.2269       30.62776 0.000000      0.000000 776.2269       30.62776 ?        ?        239.9778 4.739809 ?              ?        
1 1 1 -5  9  15 o 307.5668 5.478633 1276.216       45.37275 0.000000      0.000000 1276.216       45.37275 ?        ?        307.5668 5.478633 ?              ?        
1 1 1 -5  9  16 o 281.3984 5.295668 1068.141       40.12599 0.000000      0.000000 1068.141       40.12599 ?        ?        281.3984 5.295668 ?              ?        
1 1 1 -5  9  17 o 111.9505 6.391669 169.0823       19.26743 169.0823      19.26743 0.000000       0.000000 111.9505 6.391669 ?        ?        ?              ?        
1 1 1 -5  9  18 o 121.9359 6.949543 200.5854       22.81766 200.5854      22.81766 0.000000       0.000000 121.9359 6.949543 ?        ?        ?              ?        
1 1 1 -5  9  19 o 307.6058 4.435158 1276.505       36.70630 1251.754      52.65736 1299.900       51.19463 304.6934 6.418191 310.5183 6.122852 -5.824921      8.870316 
1 1 1 -5  9  20 o 82.72533 7.996293 93.56081       17.27512 96.97678      22.13211 88.23464       27.63584 84.72839 9.700865 80.72227 12.71440 4.006111       15.99259 
1 1 1 -5  9  21 o 206.4701 4.741958 572.7982       26.05221 558.8178      34.12218 592.3382       40.34032 203.5007 6.227124 209.4394 7.153153 -5.938736      9.483916 
1 1 1 -5  9  22 o 244.1621 4.789429 805.8171       31.37925 809.5255      42.69525 801.4608       46.27446 244.8105 6.476883 243.5138 7.057232 1.296738       9.578858 
1 1 1 -5  9  23 o 69.44431 16.24101 47.22335       25.85238 39.23198      27.66782 102.1930       72.56478 53.70908 17.03902 85.17955 27.65417 -31.47047      32.48201 
1 1 1 -5  9  24 o 110.1027 16.65830 136.0840       35.28573 120.7868      37.72538 243.0128       99.74134 93.66351 14.95821 126.5420 29.76991 -32.87845      33.31660 
1 1 1 -5  9  25 o 107.3347 31.78671 92.40033       137.0861 -66.34805     315.1568 129.4455       152.2432 110.2607 49.81279 104.4087 39.50019 5.852066       63.57342 
1 1 1 -5  9  26 o 112.6770 20.31844 132.2687       40.47670 111.3360      42.39591 347.8958       136.0700 86.14974 18.80408 139.2043 36.02447 -53.05456      40.63688 
1 1 1 -5  9  27 o 94.57530 18.04779 154.9675       37.07604 159.2249      39.23660 119.4724       113.2930 105.6561 13.79157 83.49455 33.35691 22.16150       36.09558 
1 1 1 -5  9  28 o 86.48554 16.16027 152.0544       37.96096 167.3584      41.41447 71.60332       94.95452 106.0526 14.50265 66.91846 28.88409 39.13417       32.32054 
1 1 1 -5  9  29 o 70.45888 18.42270 99.12457       39.87693 83.93291      44.57737 159.9783       89.21866 65.40538 21.69634 75.51237 29.78008 -10.10699      36.84541 
1 1 1 -5  11 1  o 620.8541 6.635610 5191.692       110.9230 5148.853      155.7201 5235.818       158.0433 618.2554 9.353914 623.4528 9.414327 -5.197327      13.27122 
1 1 1 -5  11 2  o 552.9232 5.931791 4117.687       88.31481 4115.154      124.9717 4120.213       124.8205 552.7532 8.396472 553.0933 8.381159 -0.3400269     11.86358 
1 1 1 -5  11 3  o 610.6923 6.526573 5023.474       107.3224 5023.194      151.9121 5023.753       151.6419 610.6750 9.238441 610.7096 9.221488 -0.3454590E-01 13.05315 
1 1 1 -5  11 4  o 707.8505 7.533401 6750.114       143.5842 6720.383      202.2464 6780.327       203.8808 706.2799 10.63458 709.4211 10.67306 -3.141235      15.06680 
1 1 1 -5  11 5  o 600.6381 6.433896 4858.946       104.0458 4811.248      145.8616 4908.359       148.4588 597.6386 9.063980 603.6375 9.133691 -5.998901      12.86779 
1 1 1 -5  11 6  o 54.33176 6.399644 45.53767       8.415099 18.63696      12.34822 68.86410       11.49864 37.15354 11.32081 71.50999 5.971679 -34.35645      12.79929 
1 1 1 -5  11 7  o 545.3407 5.871696 4006.153       86.22118 3994.822      121.8716 4017.506       121.9988 544.5684 8.311255 546.1129 8.296402 -1.544495      11.74339 
1 1 1 -5  11 8  f 332.4584 3.836807 1487.521       34.33401 1451.830      47.75566 1525.707       49.39719 328.3339 5.401641 336.5829 5.450380 -8.249023      7.673615 
1 1 1 -5  11 9  o 139.7252 3.279109 262.7126       12.32716 268.1036      17.86261 257.8105       17.03342 141.0921 4.701744 138.3584 4.572070 2.733673       6.558218 
1 1 1 -5  11 10 o 183.4357 4.709105 453.2722       23.25978 453.2722      23.25978 0.000000       0.000000 183.4357 4.709105 ?        ?        ?              ?        
1 1 1 -5  11 11 o 49.16856 8.753519 31.09454       11.70214 49.83887      19.01559 19.66869       14.84633 59.61809 12.25489 38.71904 12.50256 20.89905       17.50704 
1 1 1 -5  11 12 o 288.1987 3.756515 1120.565       29.03285 1110.825      42.94453 1128.764       39.40123 287.0259 5.556526 289.3715 5.056741 -2.345520      7.513030 
1 1 1 -5  11 13 o 280.3691 3.806350 1062.997       28.58964 1027.395      42.21799 1093.153       38.85480 275.9953 5.680838 284.7430 5.067670 -8.747650      7.612700 
1 1 1 -5  11 14 o 271.0090 3.832451 992.9716       27.63930 974.9877      42.25503 1006.420       36.54047 268.8195 5.837599 273.1985 4.967209 -4.379028      7.664902 
1 1 1 -5  11 15 o 229.5687 5.936033 711.1401       36.69378 711.1401      36.69378 0.000000       0.000000 229.5687 5.936033 ?        ?        ?              ?        
1 1 1 -5  11 16 o 331.6100 4.295533 1483.474       38.19595 1479.894      56.62326 1486.463       51.74080 331.2152 6.348940 332.0048 5.787692 -0.7896118     8.591066 
1 1 1 -5  11 17 o 149.1075 4.287451 294.9854       17.02199 331.6694      26.59692 269.5355       22.15321 156.8241 6.298471 141.3908 5.818781 15.43327       8.574903 
1 1 1 -5  11 18 o 409.9725 5.007459 2264.804       55.15813 2298.625      80.97833 2235.531       75.33753 412.8035 7.285210 407.1414 6.871993 5.662109       10.01492 
1 1 1 -5  11 19 o 90.59777 6.839099 109.6480       16.57659 94.55618      22.24748 128.4836       24.85422 83.66054 9.875903 97.53500 9.463596 -13.87447      13.67820 
1 1 1 -5  11 20 o 249.0005 4.264154 834.8023       28.56355 882.9047      41.36137 790.9468       39.49326 255.8475 6.003856 242.1536 6.056877 13.69395       8.528309 
1 1 1 -5  11 21 o 223.9285 4.583761 678.1368       27.59216 697.4773      38.28227 657.2275       39.80464 227.2797 6.255378 220.5773 6.701768 6.702393       9.167521 
1 1 1 -5  11 22 o 46.51997 12.36482 20.61755       20.59729 13.80004      26.08506 31.90764       33.56816 41.04389 16.12926 51.99606 18.74573 -10.95216      24.72965 
1 1 1 -5  11 23 o 174.3952 6.633142 412.6059       30.24775 410.4442      38.40009 416.1399       49.09880 173.9847 8.196676 174.8056 10.43115 -0.8209534     13.26628 
1 1 1 -5  11 24 o 59.07887 18.62420 -1.163422      38.66368 -5.386265     41.01881 32.47482       115.7703 42.74987 18.71077 75.40788 32.20792 -32.65800      37.24839 
1 1 1 -5  11 25 o 52.50157 17.26327 1.329956       36.86370 4.779109      38.62237 -33.97688      123.5697 42.76680 18.44047 62.23634 29.18956 -19.46953      34.52654 
1 1 1 -5  11 26 o 41.90989 14.35414 -32.21490      33.96332 -17.37706     35.82479 -163.9663      106.7520 36.11535 16.50272 47.70443 23.49098 -11.58908      28.70829 
1 1 1 -5  11 27 o 78.62151 14.04330 128.8976       34.80041 158.7944      38.10139 -21.55945      85.47408 104.4450 13.54783 52.79803 24.60311 51.64695       28.08660 
1 1 1 -5  11 28 o 46.47320 15.24152 2.620576       30.55485 -1.958128     32.65612 34.80370       86.57796 36.31905 16.25142 56.62735 25.78968 -20.30830      30.48305 
1 1 1 -5  11 29 o 64.10497 16.78051 78.68511       30.65144 66.08600      33.23570 150.3805       79.28307 58.54942 18.68563 69.66052 27.87811 -11.11110      33.56102 
1 1 1 -5  13 1  o 297.5280 3.493826 1191.633       27.97839 1210.816      40.28306 1173.756       38.88861 299.8392 4.989427 295.2169 4.892128 4.622314       6.987653 
1 1 1 -5  13 2  o 522.8073 5.653746 3682.565       79.58263 3708.496      113.4945 3657.482       111.6225 524.6155 8.034345 520.9989 7.956674 3.616638       11.30749 
1 1 1 -5  13 3  o 732.3602 7.807761 7229.521       153.9167 7340.069      221.1682 7125.698       214.3349 737.7774 11.13305 726.9429 10.94987 10.83447       15.61552 
1 1 1 -5  13 4  o 320.6149 3.729198 1383.209       32.16257 1411.528      46.71796 1357.694       44.34429 323.7296 5.359423 317.5002 5.186930 6.229431       7.458395 
1 1 1 -5  13 5  o 277.8113 3.390021 1039.472       25.35807 1026.355      35.80286 1052.675       35.92088 276.0522 4.816628 279.5704 4.771692 -3.518158      6.780041 
1 1 1 -5  13 6  o 272.9442 3.368348 1003.386       24.75472 991.8094      34.86198 1015.159       35.15681 271.3562 4.771214 274.5322 4.755900 -3.176025      6.736696 
1 1 1 -5  13 7  o 164.9091 3.058578 366.7224       13.56415 347.2871      19.25840 385.8546       19.10770 160.5661 4.454337 169.2522 4.192670 -8.686096      6.117156 
1 1 1 -5  13 8  o 464.4421 5.106744 2907.135       63.84078 2849.109      88.81853 2969.157       91.82553 459.6550 7.176096 469.2293 7.267665 -9.574341      10.21349 
1 1 1 -5  13 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 11 o 84.05199 6.075235 95.63217       13.62894 79.75072      18.94577 112.6648       19.62040 76.78646 9.163136 91.31752 7.979403 -14.53106      12.15047 
1 1 1 -5  13 12 o 177.4063 3.746717 424.1740       17.81830 428.2368      26.53662 420.8383       24.04499 178.1643 5.531483 176.6483 5.055123 1.515976       7.493435 
1 1 1 -5  13 13 o 229.7162 3.712063 705.7363       22.63751 746.8154      35.51241 677.6183       29.38071 235.2690 5.605730 224.1635 4.867590 11.10544       7.424126 
1 1 1 -5  13 14 o 172.9852 4.169166 400.7496       18.40423 412.4527      31.75864 394.8322       22.58271 174.8259 6.746412 171.1446 4.900377 3.681274       8.338331 
1 1 1 -5  13 15 o 368.3655 6.172709 1829.903       61.22632 0.000000      0.000000 1829.903       61.22632 ?        ?        368.3655 6.172709 ?              ?        
1 1 1 -5  13 16 o 193.3720 4.165090 496.5165       20.72426 529.7783      35.42205 479.2053       25.55442 198.1830 6.637796 188.5610 5.033046 9.622055       8.330179 
1 1 1 -5  13 17 o 501.2151 5.767013 3384.741       77.77103 3228.721      107.6281 3555.216       112.5035 489.1448 8.171556 513.2855 8.139989 -24.14072      11.53403 
1 1 1 -5  13 18 o 289.7719 6.433798 1132.175       50.20040 1132.175      50.20040 0.000000       0.000000 289.7719 6.433798 ?        ?        ?              ?        
1 1 1 -5  13 19 o 259.7462 4.327285 911.4420       30.14743 896.4084      44.44707 924.2516       41.02774 257.7337 6.404548 261.7587 5.820939 -4.024994      8.654570 
1 1 1 -5  13 20 o 120.3700 6.677711 196.5408       21.17550 253.9062      30.96742 146.1612       29.02066 136.9662 8.396690 103.7738 10.38571 33.19240       13.35542 
1 1 1 -5  13 21 o 171.6209 5.222719 399.2656       24.07912 421.5533      33.62371 375.8022       34.49919 176.5811 7.071607 166.6608 7.687624 9.920319       10.44544 
1 1 1 -5  13 22 o 304.3276 5.240278 1254.034       42.93918 1268.887      61.11702 1239.556       60.34076 306.1059 7.414930 302.5493 7.406811 3.556671       10.48056 
1 1 1 -5  13 23 o ?        ?        -167.4570      31.07644 -154.7123     39.12201 -189.2496      51.15759 ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 24 o 117.3354 12.14802 227.4294       33.11933 260.0883      41.05362 166.5584       56.04748 134.9809 11.29525 99.68993 21.51080 35.29096       24.29603 
1 1 1 -5  13 25 f 103.5265 10.51095 149.4379       28.22224 136.3129      34.88761 174.2899       48.00672 97.88634 13.23627 109.1666 16.33160 -11.28027      21.02190 
1 1 1 -5  13 26 o 71.14861 16.99720 79.72829       32.53156 77.23744      35.53804 92.60915       80.81509 69.55251 18.61026 72.74471 28.44779 -3.192200      33.99439 
1 1 1 -5  13 27 o 51.47060 14.26985 37.00421       32.56006 60.93054      35.82083 -76.75626      78.10760 60.03319 19.42405 42.90800 20.90983 17.12519       28.53970 
1 1 1 -5  13 28 o 45.31020 14.52337 21.74708       32.82209 22.55227      36.30449 18.14371       76.80052 42.38967 18.06898 48.23074 22.74257 -5.841068      29.04673 
1 1 1 -5  15 1  o 47.37781 7.191826 31.37627       8.922560 25.30203      12.28709 38.15290       12.97805 42.43282 10.74330 52.32279 9.564044 -9.889965      14.38365 
1 1 1 -5  15 2  o 369.0254 4.208858 1835.973       41.82106 1845.659      59.37780 1826.437       58.91276 369.9906 5.960052 368.0602 5.944388 1.930450       8.417717 
1 1 1 -5  15 3  o 215.1575 3.109107 622.9491       17.99982 644.9742      26.06142 602.8593       24.89013 218.7884 4.423748 211.5267 4.369972 7.261688       6.218215 
1 1 1 -5  15 4  o 537.2870 5.846290 3896.080       84.54960 3959.307      121.5603 3836.829       117.6766 541.4946 8.337089 533.0793 8.198132 8.415222       11.69258 
1 1 1 -5  15 5  o 271.4276 3.498270 993.0696       25.56298 969.0062      36.08121 1017.321       36.22224 268.1229 4.997626 274.7324 4.896458 -6.609497      6.996540 
1 1 1 -5  15 6  o 528.3539 5.778290 3770.694       82.20515 3769.522      116.6131 3771.852       115.9014 528.2668 8.198054 528.4411 8.145332 -0.1743164     11.55658 
1 1 1 -5  15 7  o 566.0897 6.154489 4331.041       93.81226 4317.671      132.5781 4344.447       132.7632 565.2129 8.711168 566.9665 8.696348 -1.753601      12.30898 
1 1 1 -5  15 8  o 112.5194 4.312455 168.7980       12.98555 195.6702      19.56592 147.6436       17.36001 120.4310 6.033628 104.6078 6.163148 15.82325       8.624909 
1 1 1 -5  15 9  o 256.7571 3.517488 888.7997       24.29518 894.8998      35.19328 883.2458       33.58056 257.5898 5.073967 255.9245 4.872959 1.665298       7.034975 
1 1 1 -5  15 10 o 260.1156 3.613497 912.0573       25.30414 927.7653      36.22929 897.0962       35.35755 262.3000 5.129536 257.9312 5.090903 4.368805       7.226994 
1 1 1 -5  15 11 o 203.6343 3.638935 559.1767       19.95129 551.7111      27.99517 566.8820       28.44089 202.2538 5.140473 205.0149 5.151982 -2.761108      7.277869 
1 1 1 -5  15 12 o 263.6251 3.876636 936.3827       27.49543 920.2166      37.98455 954.1769       39.85142 261.2428 5.399820 266.0074 5.563737 -4.764648      7.753273 
1 1 1 -5  15 13 o 364.9755 4.502778 1795.072       44.23243 1738.003      61.50770 1856.197       63.65578 358.9732 6.363324 370.9778 6.372452 -12.00452      9.005556 
1 1 1 -5  15 14 o 432.4608 7.346932 2523.715       85.55318 2523.715      85.55318 0.000000       0.000000 432.4608 7.346932 ?        ?        ?              ?        
1 1 1 -5  15 15 o 60.37208 9.496943 59.96406       16.34055 10.74534      27.89179 85.68549       20.16317 41.09606 16.50389 79.64809 9.401562 -38.55203      18.99389 
1 1 1 -5  15 16 o 355.1234 4.612510 1702.155       44.04146 1597.528      62.33321 1806.451       62.23497 344.1986 6.725537 366.0481 6.314122 -21.84946      9.225019 
1 1 1 -5  15 17 o 161.7111 5.047813 344.5335       20.66068 376.5089      36.73497 329.7392       24.98727 167.0249 8.167986 156.3972 5.933439 10.62773       10.09563 
1 1 1 -5  15 18 o 130.2366 6.520385 239.4552       20.53274 206.4014      37.22165 253.9130       24.61705 123.3334 11.20809 137.1397 6.666368 -13.80631      13.04077 
1 1 1 -5  15 19 o 80.06328 10.36129 89.99283       20.68772 87.36127      35.16960 91.38513       25.58159 78.17786 17.17625 81.94869 11.59317 -3.770836      20.72258 
1 1 1 -5  15 20 o 51.78522 11.14897 29.24219       22.30018 -32.12079     35.59003 68.90631       28.61370 34.05454 15.87124 69.51590 15.66213 -35.46136      22.29795 
1 1 1 -5  15 21 o 119.6587 8.290678 196.9322       26.49322 221.5193      37.03276 171.1570       37.91703 127.4941 10.78729 111.8233 12.59269 15.67081       16.58136 
1 1 1 -5  15 22 o 32.10696 11.03956 -89.61382      32.21117 -35.47320     42.08416 -166.1957      50.05185 36.87384 17.20975 27.34009 13.83158 9.533747       22.07913 
1 1 1 -5  15 23 o 144.9842 8.563533 303.4390       33.38700 292.4250      45.79644 315.9332       48.77710 142.3134 11.95095 147.6550 12.26830 -5.341660      17.12707 
1 1 1 -5  15 24 o 56.69067 12.97246 46.28501       26.36154 75.91930      33.50213 -1.891868      42.71639 70.31694 17.70525 43.06440 18.96478 27.25254       25.94492 
1 1 1 -5  15 25 o 178.5543 6.863196 451.7696       32.46614 491.3099      43.58824 402.4986       48.65692 188.1647 8.602960 168.9439 10.69593 19.22073       13.72639 
1 1 1 -5  15 26 o 81.19342 12.99840 114.1437       29.54888 155.4344      39.82532 63.57365       44.07375 101.5051 14.57095 60.88173 21.52954 40.62338       25.99680 
1 1 1 -5  15 27 o 40.31977 12.71287 0.3199174      28.21679 -24.66941     36.59587 36.95637       44.31099 32.36882 15.39125 48.27073 20.23802 -15.90190      25.42574 
1 1 1 -5  17 1  o 186.7953 3.292675 470.1316       16.54500 464.6461      22.83639 476.1922       24.00356 185.6538 4.568148 187.9369 4.743297 -2.283051      6.585351 
1 1 1 -5  17 2  o 198.6152 3.256508 531.2669       17.38996 522.3447      23.86380 541.3698       25.39368 196.8447 4.502278 200.3856 4.706258 -3.540863      6.513016 
1 1 1 -5  17 3  o 417.1809 4.745942 2349.364       53.30396 2325.440      74.57912 2374.349       76.21383 415.0168 6.673722 419.3450 6.749613 -4.328186      9.491883 
1 1 1 -5  17 4  o 70.75165 6.475605 69.48125       12.00814 83.29367      16.46374 53.78128       17.55267 78.50840 7.788055 62.99490 10.34795 15.51350       12.95121 
1 1 1 -5  17 5  f 126.6345 4.110838 216.2089       14.01300 209.9068      19.54551 222.8742       20.10092 124.7366 5.819286 128.5323 5.807915 -3.795700      8.221677 
1 1 1 -5  17 6  o 469.8890 5.263146 2983.036       66.59184 2969.204      94.14986 2996.882       94.20032 468.7957 7.458521 470.9823 7.427872 -2.186615      10.52629 
1 1 1 -5  17 7  o 179.8721 5.331488 436.4368       25.82234 436.4368      25.82234 0.000000       0.000000 179.8721 5.331488 ?        ?        ?              ?        
1 1 1 -5  17 8  o 85.99431 5.986880 100.0120       13.84132 98.93457      20.08341 100.9868       19.10256 85.54261 8.719097 86.44601 8.206599 -0.9034042     11.97376 
1 1 1 -5  17 9  o 206.3783 5.127205 574.2052       28.49234 574.2052      28.49234 0.000000       0.000000 206.3783 5.127205 ?        ?        ?              ?        
1 1 1 -5  17 10 o 414.7869 4.809658 2321.130       53.71666 2309.643      75.60610 2332.839       76.33277 413.7526 6.786294 415.8211 6.817437 -2.068481      9.619316 
1 1 1 -5  17 11 o 313.4829 4.105754 1324.417       34.64937 1350.435      49.63837 1299.692       48.38873 316.4829 5.824838 310.4829 5.787930 6.000061       8.211508 
1 1 1 -5  17 12 o 204.3021 4.027428 562.7124       22.11191 562.6514      30.33307 562.7817       32.30162 204.2990 5.514000 204.3052 5.871669 -0.6240845E-02 8.054855 
1 1 1 -5  17 13 o 299.2760 5.888790 1207.351       47.45493 1207.351      47.45493 0.000000       0.000000 299.2760 5.888790 ?        ?        ?              ?        
1 1 1 -5  17 14 o 374.4136 4.717095 1889.653       47.54610 1862.250      66.40001 1918.488       68.11342 371.6318 6.635472 377.1954 6.706299 -5.563538      9.434190 
1 1 1 -5  17 15 o 139.8806 5.366066 266.1725       20.03496 241.4211      29.43195 287.5458       27.34991 133.7470 8.172437 146.0141 6.956289 -12.26715      10.73213 
1 1 1 -5  17 16 o 121.4702 6.057676 198.1342       19.37639 206.1815      31.08737 193.0219       24.77825 123.4206 9.354335 119.5198 7.699233 3.900848       12.11535 
1 1 1 -5  17 17 o 196.4550 4.796562 519.2217       24.09626 528.2185      41.28151 514.5723       29.67647 197.6387 7.757115 195.2714 5.644040 2.367233       9.593123 
1 1 1 -5  17 18 o 175.7323 6.277331 417.1695       29.70366 0.000000      0.000000 417.1695       29.70366 ?        ?        175.7323 6.277331 ?              ?        
1 1 1 -5  17 19 o 148.2863 7.788820 297.7939       31.09968 0.000000      0.000000 297.7939       31.09968 ?        ?        148.2863 7.788820 ?              ?        
1 1 1 -5  17 20 o 57.40967 13.92017 42.77856       27.36684 11.61426      45.71749 60.18183       34.16404 49.95089 20.71745 64.86845 18.59761 -14.91757      27.84033 
1 1 1 -5  17 21 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  17 22 o 54.45491 13.98380 21.01285       31.57302 -33.06673     44.45350 76.06429       44.85115 38.21553 17.78616 70.69428 21.58330 -32.47875      27.96760 
1 1 1 -5  17 23 o 107.8427 9.402417 166.7990       26.98647 181.9784      36.76976 149.0760       39.73133 113.7338 12.00654 101.9516 14.47290 11.78216       18.80483 
1 1 1 -5  17 24 f 66.13946 13.63434 70.04391       26.23853 54.02631      36.63110 86.92159       37.60170 58.69208 19.67272 73.58683 18.88293 -14.89475      27.26868 
1 1 1 -5  17 25 o 93.68589 11.42803 137.7580       27.93379 140.5237      37.57091 134.3396       41.77071 96.39590 14.47471 90.97588 17.68849 5.420013       22.85607 
1 1 1 -5  17 26 o 37.33855 12.29923 -11.16196      29.91136 -24.16116     39.90780 5.501654       45.18394 33.77858 16.06481 40.89853 18.62811 -7.119949      24.59846 
1 1 1 -5  19 1  o 87.75212 5.681460 101.7143       13.25747 83.14103      17.44189 127.1266       20.40195 78.46414 8.255415 97.04011 7.807950 -18.57597      11.36292 
1 1 1 -5  19 2  o 423.3369 4.860760 2416.813       55.39384 2474.073      79.43256 2362.602       77.28887 428.2139 6.888972 418.4598 6.859301 9.754089       9.721519 
1 1 1 -5  19 3  o 318.9796 4.015489 1371.232       34.47186 1352.714      47.86759 1391.182       49.68429 316.7489 5.612328 321.2102 5.744422 -4.461334      8.030978 
1 1 1 -5  19 4  o 160.6584 3.903797 348.1098       16.88129 356.5669      23.76147 339.4909       23.98763 162.6331 5.426017 158.6837 5.613988 3.949356       7.807594 
1 1 1 -5  19 5  o 178.3833 3.785676 429.0764       18.16085 431.6747      25.10446 426.2240       26.30417 178.9559 5.209806 177.8108 5.493932 1.145126       7.571352 
1 1 1 -5  19 6  o 115.2051 4.995282 179.3190       15.44405 197.6293      21.96434 161.4136       21.72007 121.0411 6.739101 109.3692 7.375356 11.67191       9.990563 
1 1 1 -5  19 7  o 296.6870 3.948267 1186.691       31.54057 1175.569      44.64828 1197.770       44.56203 295.2972 5.615158 298.0769 5.552050 -2.779663      7.896534 
1 1 1 -5  19 8  o 96.65244 6.251869 127.5292       16.04156 103.7671      22.80956 150.7839       22.56480 87.61786 9.668096 105.6870 7.929149 -18.06916      12.50374 
1 1 1 -5  19 9  o 238.5773 3.834406 766.7739       24.61576 778.3718      35.58130 756.1276       34.09042 240.3027 5.498950 236.8519 5.345300 3.450790       7.668812 
1 1 1 -5  19 10 o 604.7897 6.650319 4937.451       108.2616 4855.521      150.6789 5024.878       155.6521 599.6205 9.332383 609.9589 9.477002 -10.33838      13.30064 
1 1 1 -5  19 11 o 274.1811 4.087077 1013.576       30.15903 1024.290      42.12476 1002.309       43.19812 275.6737 5.674907 272.6884 5.883215 2.985229       8.174153 
1 1 1 -5  19 12 o 216.1161 4.302687 631.6219       24.92541 653.9463      34.04505 605.8319       36.59235 220.2605 5.740292 211.9717 6.411047 8.288773       8.605374 
1 1 1 -5  19 13 o 72.39914 10.50382 76.16505       20.03031 101.2771      27.28576 46.81665       29.49763 86.49886 11.71500 58.29943 17.43788 28.19942       21.00764 
1 1 1 -5  19 14 o 241.4280 6.081816 786.5631       39.53705 786.5631      39.53705 0.000000       0.000000 241.4280 6.081816 ?        ?        ?              ?        
1 1 1 -5  19 15 o 489.1653 5.751043 3237.568       75.75002 3239.060      106.9458 3236.066       107.3085 489.2830 8.117459 489.0475 8.148915 0.2355347      11.50209 
1 1 1 -5  19 16 o 170.4945 8.003757 393.4908       36.74410 393.4908      36.74410 0.000000       0.000000 170.4945 8.003757 ?        ?        ?              ?        
1 1 1 -5  19 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  19 18 o 60.88144 12.75129 48.06770       27.92755 -18.87344     44.45305 91.71748       35.89600 41.87613 18.83254 79.88675 17.19643 -38.01062      25.50258 
1 1 1 -5  19 19 o 29.34903 10.36158 -104.8204      31.48283 -130.4226     53.50785 -91.26423      38.93565 31.36252 15.64549 27.33554 13.58925 4.026981       20.72315 
1 1 1 -5  19 20 o 28.46228 10.19273 -168.8753      37.27752 -198.0937     60.69986 -151.1826      47.23422 30.05412 15.20787 26.87044 13.57525 3.183678       20.38545 
1 1 1 -5  19 21 o 63.69731 13.13875 59.39793       26.23405 24.98157      36.93514 94.43777       37.26820 48.65355 19.16947 78.74107 17.97328 -30.08752      26.27751 
1 1 1 -5  19 22 o 40.80900 12.45932 -0.4431155     25.52016 -15.72071     35.71994 15.48614       36.47379 36.43119 16.58151 45.18681 18.60088 -8.755627      24.91865 
1 1 1 -5  19 23 o 52.70871 14.08758 32.30904       28.12747 65.72390      44.27029 9.688850       36.42426 63.14244 21.62469 42.27498 18.06135 20.86745       28.17516 
1 1 1 -5  19 24 o 73.53712 14.09315 96.54041       28.95175 81.83685      43.48766 108.2450       38.80006 66.93457 21.37544 80.13969 18.37276 -13.20512      28.18631 
1 1 1 -5  19 25 o 57.55894 14.31859 65.03541       28.98888 38.92397      39.90318 94.21835       42.18485 47.49138 19.49161 67.62651 20.98013 -20.13513      28.63719 
1 1 1 -5  21 1  f 683.1388 7.431359 6302.759       136.6281 6186.100      189.6135 6428.739       197.0431 676.5931 10.40779 689.6844 10.61030 -13.09137      14.86272 
1 1 1 -5  21 2  o 425.9196 4.970298 2443.673       56.94651 2386.439      78.48104 2507.315       82.75814 420.6689 6.928528 431.1702 7.128179 -10.50137      9.940596 
1 1 1 -5  21 3  o 369.5488 4.553437 1839.037       45.25836 1797.543      62.26779 1885.509       65.89620 365.1436 6.333099 373.9539 6.544235 -8.810272      9.106874 
1 1 1 -5  21 4  o 496.9691 5.626533 3327.699       75.20655 3240.619      103.4266 3425.403       109.5539 490.0958 7.837326 503.8424 8.075136 -13.74664      11.25307 
1 1 1 -5  21 5  o 358.1879 4.455850 1728.877       42.96579 1769.394      61.56417 1690.404       59.99194 362.2765 6.311091 354.0992 6.291941 8.177338       8.911699 
1 1 1 -5  21 6  o 407.4180 4.831488 2237.560       52.98874 2206.237      73.89265 2270.720       76.02773 404.4883 6.784407 410.3476 6.880765 -5.859283      9.662976 
1 1 1 -5  21 7  o 507.7533 5.737645 3478.938       78.44298 3491.819      111.4902 3466.311       110.3883 508.6803 8.139700 506.8263 8.088731 1.854034       11.47529 
1 1 1 -5  21 8  o 371.8776 4.608898 1864.699       46.14996 1847.854      65.08939 1881.728       65.44386 370.1877 6.529874 373.5674 6.506036 -3.379700      9.217796 
1 1 1 -5  21 9  o 720.9780 7.852848 7027.625       152.4118 6928.935      212.6167 7131.941       218.5932 715.7948 11.03127 726.1613 11.17944 -10.36646      15.70570 
1 1 1 -5  21 10 o 354.2870 4.567166 1692.477       43.55153 1658.996      60.53198 1728.408       62.70797 350.6624 6.410801 357.9117 6.506741 -7.249329      9.134333 
1 1 1 -5  21 11 o 300.3929 4.357191 1217.730       35.23183 1260.316      50.06150 1175.938       49.59246 305.6054 6.083582 295.1803 6.239430 10.42508       8.714382 
1 1 1 -5  21 12 o 148.4466 5.930555 297.0857       23.55440 288.8302      31.39242 307.7207       35.63055 146.1315 7.978063 150.7617 8.777040 -4.630188      11.86111 
1 1 1 -5  21 13 o 353.1968 4.822049 1686.019       45.82389 1775.167      65.20817 1599.043       64.40877 362.4480 6.681484 343.9456 6.954595 18.50235       9.644097 
1 1 1 -5  21 14 o 99.35696 13.31164 134.8455       35.61339 0.000000      0.000000 134.8455       35.61339 ?        ?        99.35696 13.31164 ?              ?        
1 1 1 -5  21 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  21 16 o 166.0902 6.934471 368.0104       30.38428 408.9490      49.05693 342.5316       38.70110 173.3264 10.51120 158.8539 9.047779 14.47249       13.86894 
1 1 1 -5  21 17 o 85.64294 16.83836 107.5731       37.44655 0.000000      0.000000 107.5731       37.44655 ?        ?        85.64294 16.83836 ?              ?        
1 1 1 -5  21 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  21 19 o 85.95428 12.02215 116.3621       26.08236 78.45919      42.00669 140.1430       33.27332 71.68348 20.64263 100.2251 12.32924 -28.54162      24.04430 
1 1 1 -5  21 20 o 92.77376 10.69713 128.9885       25.20830 98.33179      37.11584 155.2388       34.34501 80.47604 17.61678 105.0715 12.13935 -24.59544      21.39427 
1 1 1 -5  21 21 o 44.74535 12.56075 12.70175       26.34272 -40.09194     42.95633 44.52261       33.34971 35.16379 16.70710 54.32690 18.76065 -19.16312      25.12149 
1 1 1 -5  21 22 o 57.74667 14.67298 51.97756       28.02811 68.68749      47.38365 42.98427       34.76164 62.85931 22.31319 52.63403 19.06061 10.22528       29.34596 
1 1 1 -5  21 23 o 38.70678 12.54396 -3.150696      28.38115 -6.416689     48.60042 -1.460554      34.96181 40.67595 18.81548 36.73760 16.59461 3.938354       25.08791 
1 1 1 -5  21 24 o 46.86609 13.94525 36.32357       29.72418 47.94672      45.11161 27.40556       39.51486 49.94584 20.63636 43.78633 18.76221 6.159515       27.89050 
1 1 1 -5  23 1  o 200.0789 4.182808 539.3391       22.41976 532.4544      30.13009 547.8799       33.55903 198.6708 5.632263 201.4870 6.185560 -2.816162      8.365617 
1 1 1 -5  23 2  o 141.2801 4.996549 268.6985       18.69697 264.8354      24.25910 274.3505       29.34357 140.0712 6.431949 142.4890 7.648008 -2.417786      9.993097 
1 1 1 -5  23 3  o 371.5664 4.664933 1864.010       46.66523 1873.922      65.50346 1853.796       66.49696 372.5798 6.529223 370.5530 6.664507 2.026825       9.329866 
1 1 1 -5  23 4  o 291.6907 4.238819 1142.468       33.17316 1085.720      44.67727 1212.195       49.52409 283.6731 5.849046 299.7082 6.136694 -16.03510      8.477638 
1 1 1 -5  23 5  o 324.1951 4.374711 1418.315       38.17846 1464.648      54.28036 1372.953       53.70917 329.4430 6.118981 318.9471 6.253834 10.49582       8.749421 
1 1 1 -5  23 6  o 163.6600 4.641516 361.5475       20.43851 359.8343      28.32120 363.4094       29.52523 163.2639 6.442260 164.0561 6.683710 -0.7922211     9.283032 
1 1 1 -5  23 7  f 157.5479 5.058238 335.5929       21.44530 343.2685      30.04632 327.6222       30.61824 159.3974 7.000460 155.6984 7.303193 3.699051       10.11648 
1 1 1 -5  23 8  o 246.8633 4.346305 822.0460       28.87531 795.9667      40.05212 850.2713       41.66749 242.7929 6.126410 250.9337 6.166730 -8.140778      8.692610 
1 1 1 -5  23 9  o 81.68784 9.871214 92.57748       21.14780 91.99392      28.55711 93.28614       31.46959 82.09726 12.91821 81.27841 14.92928 0.8188477      19.74243 
1 1 1 -5  23 10 o 125.8145 6.856857 218.5836       22.69609 268.2489      31.83213 167.2294       32.36884 140.7320 8.400197 110.8970 10.83986 29.83492       13.71371 
1 1 1 -5  23 11 o 305.5292 4.766781 1262.337       39.18521 1287.349      54.69701 1235.965       56.16466 308.6673 6.580964 302.3910 6.897805 6.276337       9.533562 
1 1 1 -5  23 12 o 313.0486 4.926380 1318.918       41.40347 1464.062      60.98527 1194.819       56.39092 328.9576 6.884964 297.1396 7.047989 31.81799       9.852760 
1 1 1 -5  23 13 o 50.79124 13.39392 20.43010       26.70283 51.38818      38.36620 -8.656300      37.18834 61.42377 20.11629 40.15871 17.68963 21.26505       26.78784 
1 1 1 -5  23 14 o 281.0560 7.620216 1088.902       57.66915 1088.902      57.66915 0.000000       0.000000 281.0560 7.620216 ?        ?        ?              ?        
1 1 1 -5  23 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  23 16 o 46.15018 13.43830 7.253818       31.60403 -56.72146     49.71745 50.63401       40.94006 35.59189 17.18769 56.70848 20.66240 -21.11658      26.87660 
1 1 1 -5  23 17 o 81.51585 13.19834 92.62074       27.12071 135.6877      48.18258 72.64809       32.81222 93.89155 19.68713 69.14014 17.58412 24.75140       26.39667 
1 1 1 -5  23 18 o 59.43003 14.15850 49.80367       24.89135 57.77460      47.16450 46.72646       29.30477 62.74665 22.26278 56.11341 17.49918 6.633247       28.31701 
1 1 1 -5  23 19 o 43.59772 12.96900 11.23363       26.79220 -17.40978     44.85869 27.11713       33.40468 39.99179 18.34530 47.20364 18.33657 -7.211849      25.93800 
1 1 1 -5  23 20 o 43.15603 13.41069 4.717008       28.36061 18.32022      49.29379 -2.013869      34.67426 48.38729 20.84848 37.92476 16.87386 10.46253       26.82138 
1 1 1 -5  23 21 o 68.93700 14.99325 81.82805       29.68443 120.6670      50.64320 61.50008       36.63824 79.12919 22.62951 58.74482 19.67472 20.38437       29.98649 
1 1 1 -5  23 22 o 66.52885 14.61649 80.04495       30.29109 149.5518      50.76056 41.60447       37.74914 84.97070 22.00945 48.08700 19.23932 36.88370       29.23298 
1 1 1 -5  25 1  o 278.7703 4.581292 1054.012       34.25360 1113.414      47.31571 988.5981       49.65256 287.1086 6.120343 270.4320 6.818677 16.67664       9.162584 
1 1 1 -5  25 2  o 408.7744 5.189919 2261.579       57.07314 2305.904      79.53150 2214.517       81.95005 412.9538 7.152442 404.5951 7.522206 8.358704       10.37984 
1 1 1 -5  25 3  o 449.8133 5.481528 2737.931       66.38254 2801.555      94.19631 2675.157       93.56505 455.0234 7.688059 444.6031 7.815518 10.42035       10.96306 
1 1 1 -5  25 4  o 286.9117 4.683030 1113.556       36.08706 1128.211      49.48904 1096.916       52.73509 288.9718 6.360191 284.8516 6.875394 4.120178       9.366059 
1 1 1 -5  25 5  o 176.3023 5.467592 421.3634       25.81877 426.7404      34.89526 414.8592       38.37940 177.5997 7.296940 175.0049 8.144502 2.594772       10.93518 
1 1 1 -5  25 6  o 131.5273 7.129158 237.3213       24.84192 248.1756      32.80109 222.7210       38.04223 135.2189 9.008815 127.8357 11.05173 7.383148       14.25832 
1 1 1 -5  25 7  o 430.1913 5.378692 2499.960       62.17540 2406.067      84.69280 2609.714       91.56762 421.5038 7.462110 438.8788 7.748435 -17.37500      10.75738 
1 1 1 -5  25 8  o 284.4137 4.784617 1094.075       36.63763 1080.765      51.32126 1107.908       52.32003 282.6548 6.743070 286.1727 6.789792 -3.517914      9.569235 
1 1 1 -5  25 9  o 254.3544 4.992402 873.2032       34.14525 816.2463      47.02718 936.7098       49.65746 245.5951 7.111248 263.1137 7.009026 -17.51854      9.984803 
1 1 1 -5  25 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  25 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  25 12 o 193.4328 10.93284 507.8118       56.94378 507.8118      56.94378 0.000000       0.000000 193.4328 10.93284 ?        ?        ?              ?        
1 1 1 -5  25 13 o 146.2581 9.459517 320.3274       34.78059 443.0133      49.18141 197.5838       49.19296 177.4189 10.29479 115.0972 15.87284 62.32172       18.91903 
1 1 1 -5  25 14 o 61.28555 13.68950 55.82112       27.60307 20.86202      42.79831 80.72036       36.11932 49.71338 20.26970 72.85771 18.40515 -23.14433      27.37901 
1 1 1 -5  25 15 o 28.00860 9.778094 -73.52142      26.27927 -91.62437     42.03473 -61.90597      33.67064 28.73458 14.25657 27.28262 13.38636 1.451965       19.55619 
1 1 1 -5  25 16 o 130.3497 8.350497 235.6382       28.52246 321.4669      43.30900 169.8988       37.90309 151.5302 10.61440 109.1692 12.89410 42.36097       16.70099 
1 1 1 -5  25 17 f 36.61782 11.96998 -22.55880      28.26638 -43.29771     42.39093 -5.955505      37.92951 34.25371 16.36441 38.98193 17.47363 -4.728218      23.93996 
1 1 1 -5  25 18 o 47.16720 13.67101 19.61065       28.42963 48.24633      43.34776 -2.003989      37.66056 55.28904 21.03862 39.04535 17.46318 16.24369       27.34202 
1 1 1 -5  25 19 o 48.28909 13.87699 34.31614       27.93424 31.40464      45.12870 36.12458       35.56696 48.32262 20.35023 48.25556 18.87196 0.6705856E-01  27.75397 
1 1 1 -5  25 20 o 37.23616 12.21752 -6.598416      29.95671 -29.25268     45.84269 10.28493       39.57531 34.78931 16.72519 39.68301 17.81402 -4.893700      24.43504 
1 1 1 -5  27 1  o 155.2043 8.227759 302.1549       32.97716 216.9072      40.95437 459.3462       55.61261 126.3856 12.03426 184.0231 11.22322 -57.63750      16.45552 
1 1 1 -5  27 2  o 252.4382 6.018586 826.2343       39.70324 725.3250      49.42485 1009.816       66.66453 231.6745 7.922893 273.2018 9.062078 -41.52736      12.03717 
1 1 1 -5  27 3  o 235.4198 8.026247 749.0386       50.87903 749.0386      50.87903 0.000000       0.000000 235.4198 8.026247 ?        ?        ?              ?        
1 1 1 -5  27 4  o 236.7010 7.671680 756.9577       48.89607 756.9577      48.89607 0.000000       0.000000 236.7010 7.671680 ?        ?        ?              ?        
1 1 1 -5  27 5  o 52.00509 19.62931 27.63106       37.54145 27.63106      37.54145 0.000000       0.000000 52.00509 19.62931 ?        ?        ?              ?        
1 1 1 -5  27 6  o 78.73221 13.16734 90.07886       29.74987 132.2508      40.80399 42.22146       43.46758 98.17222 15.43585 59.29220 21.33659 38.88002       26.33469 
1 1 1 -5  27 7  o 64.59832 19.77519 63.36408       37.62082 63.36408      37.62082 0.000000       0.000000 64.59832 19.77519 ?        ?        ?              ?        
1 1 1 -5  27 8  o 198.6500 6.106592 546.2510       32.54201 548.0243      44.21607 544.1553       48.06749 199.2421 8.241677 198.0579 9.013137 1.184265       12.21318 
1 1 1 -5  27 9  o 135.9126 7.667580 256.1159       27.84784 266.9876      37.67270 243.0188       41.34912 139.3432 10.04055 132.4819 11.59114 6.861313       15.33516 
1 1 1 -5  27 10 o 219.9503 5.605407 661.7844       33.00204 645.6815      44.10538 682.2695       49.74593 217.1149 7.544293 222.7857 8.292526 -5.670776      11.21081 
1 1 1 -5  27 11 o 69.98747 14.42368 76.56307       28.66232 73.56508      38.09397 80.47485       43.51386 68.68153 19.62125 71.29341 21.14655 -2.611877      28.84736 
1 1 1 -5  27 12 o 60.70731 14.20643 55.16514       28.13570 71.74249      37.36815 33.46578       42.75308 68.10130 19.42579 53.31333 20.73472 14.78798       28.41285 
1 1 1 -5  27 13 o 74.93130 13.75019 88.78614       27.98095 74.49015      37.33111 107.1146       42.26951 68.11729 19.41124 81.74533 19.48009 -13.62804      27.50037 
1 1 1 -5  27 14 o 114.1518 9.835151 192.2759       29.62682 198.1952      38.76231 183.9596       45.94467 117.3169 12.27060 110.9867 15.37378 6.330177       19.67030 
1 1 1 -5  27 15 o 78.00237 13.62870 96.39761       28.75264 65.69115      36.84562 144.2149       45.97941 62.38635 19.64918 93.61837 18.89115 -31.23202      27.25740 
1 1 1 -5  27 16 o 59.47939 14.75989 63.78427       29.06214 62.25833      38.32785 65.84831       44.57640 59.08318 20.12161 59.87560 21.59949 -0.7924194     29.51978 
1 1 1 -5  27 17 o 42.71121 13.34949 17.68748       30.23655 20.91106      41.82567 14.15854       43.76189 43.27408 18.91824 42.14834 18.83973 1.125740       26.69897 
1 1 1 -5  29 1  o 36.56012 15.85626 -0.1935074     28.89185 -0.1935074    28.89185 0.000000       0.000000 36.56012 15.85626 ?        ?        ?              ?        
1 1 1 -5  29 2  o 100.6881 9.456538 139.4804       25.09024 124.1372      31.76145 164.9473       40.91959 93.84064 12.56973 107.5355 14.13175 -13.69489      18.91308 
1 1 1 -5  29 3  o 83.05891 12.37756 105.9553       26.02124 112.7859      32.21543 93.13396       44.13684 89.16816 13.41747 76.94966 20.80355 12.21850       24.75512 
1 1 1 -5  29 4  o 106.8798 9.430305 160.1313       25.99358 155.5040      32.25047 168.7106       43.91341 105.4467 11.35847 108.3130 15.05682 -2.866272      18.86061 
1 1 1 -5  29 5  o 181.5536 5.978631 458.8278       28.77289 490.5200      38.37385 418.1291       43.48596 189.2060 7.532115 173.9013 9.286732 15.30478       11.95726 
1 1 1 -5  29 6  o 102.6042 9.306336 144.7733       25.23639 120.4450      32.23341 183.3046       40.56552 91.93178 13.02138 113.2766 13.29944 -21.34483      18.61267 
1 1 1 -5  29 7  o 150.5434 6.586853 314.7989       26.42418 310.2072      34.85577 321.0040       40.51934 149.5976 8.652999 151.4892 9.933385 -1.891617      13.17371 
1 1 1 -5  29 8  o 88.66951 10.90469 113.3346       24.74794 76.41362      32.07774 167.6239       38.89774 69.82256 17.17925 107.5165 13.43588 -37.69389      21.80939 
1 1 1 -5  29 9  o 57.10513 13.53475 50.64602       24.22371 47.66420      31.49477 54.96484       37.90362 55.36764 18.23058 58.84262 20.01009 -3.474976      27.06950 
1 1 1 -5  29 10 o 44.92623 13.26612 17.58493       26.43415 14.51886      34.57240 21.90018       41.01485 42.69876 17.88778 47.15370 19.59558 -4.454937      26.53223 
1 1 1 -5  29 11 o 70.11172 12.00186 86.22722       27.31453 133.8362      35.47852 16.93854       42.80084 94.56055 13.93388 45.66291 19.54547 48.89764       24.00372 
1 1 1 -5  29 12 o 46.89172 13.41124 28.85975       26.68828 38.47893      35.43033 16.24310       40.57685 49.83414 19.00668 43.94930 18.92595 5.884850       26.82248 
1 1 1 -5  29 13 o 44.49017 13.06096 13.12092       26.84473 -15.71543     34.44196 57.75195       42.84856 33.34852 15.56593 55.63182 20.97752 -22.28330      26.12192 
1 1 1 -5  29 14 o 41.08052 12.64630 12.14020       28.77155 39.35982      36.61195 -31.81419      46.52464 47.39215 18.95227 34.76888 16.74895 12.62327       25.29260 
1 1 1 -5  31 1  o 123.0771 8.273392 228.2421       25.95152 241.2455      32.65105 205.9361       42.76412 129.9162 9.333629 116.2379 13.66307 13.67826       16.54678 
1 1 1 -5  31 2  o 45.40759 13.07808 26.20966       24.59571 25.24121      31.07916 27.83271       40.23424 43.88197 17.49045 46.93320 19.44810 -3.051228      26.15616 
1 1 1 -5  31 3  o 120.2488 8.282250 213.1785       26.22652 212.9802      33.86035 213.4757       41.46400 121.3163 10.36546 119.1812 12.92052 2.135117       16.56450 
1 1 1 -5  31 4  o 35.96428 11.27323 -3.689098      23.29772 17.25405      28.72239 -43.97232      39.83471 40.17920 16.51910 31.74936 15.34478 8.429846       22.54646 
1 1 1 -5  31 5  o 64.03255 12.71691 74.97736       24.06406 90.91178      30.40640 48.26796       39.36667 74.86661 15.58977 53.19849 20.09573 21.66811       25.43382 
1 1 1 -5  31 6  f 56.81566 13.24293 58.45770       24.01776 66.58610      30.66598 45.56018       38.62848 61.93141 17.57410 51.69991 19.81544 10.23150       26.48586 
1 1 1 -5  31 7  o 74.38835 12.97168 101.0506       25.65631 108.6669      32.51060 88.47602       41.77341 81.31422 15.41233 67.46249 20.86905 13.85174       25.94335 
1 1 1 -5  31 8  o 32.19225 10.84632 -23.29498      25.22958 -24.07680     32.24332 -22.06040      40.51756 30.18970 14.38095 34.19481 16.24066 -4.005106      21.69264 
1 1 1 -5  31 9  o 65.75301 13.36656 84.60683       25.25531 92.13924      32.87320 73.75716       39.45325 71.56377 17.25954 59.94226 20.41488 11.62152       26.73311 
1 1 1 -5  31 10 f 37.49008 11.91531 1.635841       26.44072 24.38005      35.55307 -26.51163      39.55135 42.23729 17.93951 32.74288 15.68670 9.494404       23.83062 
1 1 1 -4  0  1  o 1311.138 19.57925 23188.26       690.0508 23739.40      998.8722 22685.10       954.4042 1326.006 28.00388 1296.271 27.37099 -0.000000      0.000000 
1 1 1 -4  0  2  o 1318.125 27.82404 23455.36       986.5590 23455.36      986.5590 0.000000       0.000000 1318.125 27.82404 1318.125 27.82404 -0.000000      0.000000 
1 1 1 -4  0  3  o 900.8896 13.45041 10934.92       325.6199 10654.70      448.4671 11247.36       473.5479 888.7072 18.75968 913.0721 19.28025 -0.000000      0.000000 
1 1 1 -4  0  4  o 829.2657 12.38130 9276.393       276.1707 9343.173      393.3034 9211.440       387.8817 832.2078 17.56910 826.3237 17.45031 -0.000000      0.000000 
1 1 1 -4  0  5  o 398.7014 5.987854 2140.649       64.15351 2085.918      88.36366 2201.652       93.29019 393.3203 8.351917 404.0825 8.582720 -0.000000      0.000000 
1 1 1 -4  0  6  o 604.4436 9.042258 4925.538       146.9740 4851.773      204.7733 5003.913       211.0751 599.7797 12.69221 609.1075 12.88245 -0.000000      0.000000 
1 1 1 -4  0  7  o 1007.523 15.06024 13702.20       408.0051 13477.87      567.5961 13942.05       586.9006 999.0091 21.12151 1016.038 21.47383 -0.000000      0.000000 
1 1 1 -4  0  8  o 724.4224 10.85810 7074.211       211.4326 7240.540      306.1202 6922.484       292.3748 732.5501 15.53504 716.2946 15.17417 -0.000000      0.000000 
1 1 1 -4  0  9  o 107.1579 3.634550 157.0531       10.32737 142.6459      15.24046 169.2856       14.04313 102.4788 5.560483 111.8370 4.681972 -0.000000      0.000000 
1 1 1 -4  0  10 o 827.3301 17.55295 9235.046       390.6347 0.000000      0.000000 9235.046       390.6347 827.3301 17.55295 827.3301 17.55295 -0.000000      0.000000 
1 1 1 -4  0  11 o 602.1977 12.90541 4891.650       209.0469 0.000000      0.000000 4891.650       209.0469 602.1977 12.90541 602.1977 12.90541 -0.000000      0.000000 
1 1 1 -4  0  12 o 597.6666 9.777801 4814.318       157.2611 0.000000      0.000000 4814.318       157.2611 597.6666 9.777801 597.6666 9.777801 -0.000000      0.000000 
1 1 1 -4  0  13 o 41.60829 17.41608 32.89956       19.56481 0.000000      0.000000 32.89956       19.56481 41.60829 17.41608 41.60829 17.41608 -0.000000      0.000000 
1 1 1 -4  0  14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  16 o 285.7406 14.01424 1112.425       107.2349 0.000000      0.000000 1112.425       107.2349 285.7406 14.01424 285.7406 14.01424 -0.000000      0.000000 
1 1 1 -4  0  17 o 146.7479 24.93100 319.0160       89.97565 0.000000      0.000000 319.0160       89.97565 146.7479 24.93100 146.7479 24.93100 -0.000000      0.000000 
1 1 1 -4  0  18 o 62.11474 34.77871 74.16295       87.33901 0.000000      0.000000 74.16295       87.33901 62.11474 34.77871 62.11474 34.77871 -0.000000      0.000000 
1 1 1 -4  0  19 o 30.60443 22.11825 -178.3589      94.71317 0.000000      0.000000 -178.3589      94.71317 30.60443 22.11825 30.60443 22.11825 -0.000000      0.000000 
1 1 1 -4  0  20 o 50.63005 31.82361 19.29707       90.85634 0.000000      0.000000 19.29707       90.85634 50.63005 31.82361 50.63005 31.82361 -0.000000      0.000000 
1 1 1 -4  0  21 o 48.79418 31.59659 -2.114349      98.02496 0.000000      0.000000 -2.114349      98.02496 48.79418 31.59659 48.79418 31.59659 -0.000000      0.000000 
1 1 1 -4  0  22 o 262.5382 17.22206 945.4293       120.5459 0.000000      0.000000 945.4293       120.5459 262.5382 17.22206 262.5382 17.22206 -0.000000      0.000000 
1 1 1 -4  0  23 o 108.6198 37.32060 212.9623       98.15961 0.000000      0.000000 212.9623       98.15961 108.6198 37.32060 108.6198 37.32060 -0.000000      0.000000 
1 1 1 -4  0  24 o 325.2869 15.24988 1447.373       132.9034 0.000000      0.000000 1447.373       132.9034 325.2869 15.24988 325.2869 15.24988 -0.000000      0.000000 
1 1 1 -4  0  25 o 308.0052 20.73909 1322.140       170.2112 0.000000      0.000000 1322.140       170.2112 308.0052 20.73909 308.0052 20.73909 -0.000000      0.000000 
1 1 1 -4  0  26 o 392.9738 25.46910 2144.606       266.9047 0.000000      0.000000 2144.606       266.9047 392.9738 25.46910 392.9738 25.46910 -0.000000      0.000000 
1 1 1 -4  0  27 o 52.11770 36.73921 -143.7606      204.5884 0.000000      0.000000 -143.7606      204.5884 52.11770 36.73921 52.11770 36.73921 -0.000000      0.000000 
1 1 1 -4  0  28 o 62.16872 40.25481 73.93172       159.0754 0.000000      0.000000 73.93172       159.0754 62.16872 40.25481 62.16872 40.25481 -0.000000      0.000000 
1 1 1 -4  0  29 o 51.54747 34.12326 45.79677       124.0387 0.000000      0.000000 45.79677       124.0387 51.54747 34.12326 51.54747 34.12326 -0.000000      0.000000 
1 1 1 -4  0  30 o 44.42480 29.52287 48.25848       94.30434 0.000000      0.000000 48.25848       94.30434 44.42480 29.52287 44.42480 29.52287 -0.000000      0.000000 
1 1 1 -4  2  1  o 689.6021 8.912196 6422.393       156.5381 6454.688      192.6166 6359.569       268.6461 692.2415 10.33363 686.9626 14.52326 5.278870       17.82439 
1 1 1 -4  2  2  o 1234.450 15.98353 20439.83       496.6891 20225.09      601.9616 20897.89       879.1564 1224.807 18.25231 1244.094 26.24398 -19.28650      31.96707 
1 1 1 -4  2  3  o 361.2964 3.840032 1755.193       37.31673 1808.177      54.33373 1707.885       51.34100 366.4497 5.506451 356.1432 5.353727 10.30643       7.680065 
1 1 1 -4  2  4  o 902.6040 9.510088 10975.68       231.1110 10881.02      324.0473 11073.67       329.7066 898.6468 13.39171 906.5612 13.50663 -7.914429      19.02018 
1 1 1 -4  2  5  o 630.7550 6.668308 5357.933       113.2470 5312.575      158.9669 5404.673       161.3712 628.0455 9.400092 633.4644 9.460635 -5.418884      13.33662 
1 1 1 -4  2  6  o 714.5939 9.231392 6891.880       167.8326 6852.897      288.9808 6911.721       206.1662 712.9423 15.05328 716.2456 10.68986 -3.303345      18.46278 
1 1 1 -4  2  7  o 330.7623 4.365169 1475.468       36.84925 1466.878      63.04509 1479.925       45.41437 330.0137 7.094731 331.5108 5.087591 -1.497131      8.730337 
1 1 1 -4  2  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  2  9  o 478.3735 7.203165 3081.990       92.77339 3056.029      130.0193 3108.916       132.4163 476.3227 10.13732 480.4243 10.23606 -4.101654      14.40633 
1 1 1 -4  2  10 o 664.3375 9.951090 5947.215       178.0014 5916.145      250.3242 5978.996       253.1639 662.5842 14.03067 666.0908 14.11514 -3.506592      19.90218 
1 1 1 -4  2  11 o 926.2344 9.981519 11562.54       248.8748 11641.31      356.6899 11487.81       347.4175 929.2969 14.25453 923.1719 13.97609 6.125000       19.96304 
1 1 1 -4  2  12 o 650.5938 8.561934 5703.299       142.8629 5704.863      242.2775 5702.466       176.8877 650.5754 13.83031 650.6122 10.09699 -0.3686523E-01 17.12387 
1 1 1 -4  2  13 o 484.5446 8.017995 3158.241       104.3090 3512.107      150.9683 2834.996       144.2887 510.4809 10.98305 458.6083 11.68442 51.87265       16.03599 
1 1 1 -4  2  14 o 166.9233 7.340342 348.8532       22.06692 340.1905      23.50215 413.3512       64.12888 158.9160 5.492330 174.9307 13.61458 -16.01471      14.68068 
1 1 1 -4  2  15 o 550.9503 8.006828 4101.876       105.2422 4099.965      123.0385 4107.087       203.1568 551.2340 8.289370 550.6665 13.70123 0.5675049      16.01366 
1 1 1 -4  2  16 o 404.5209 7.065385 2168.657       67.20821 2122.449      77.56429 2307.869       134.6305 396.5249 7.264538 412.5168 12.12044 -15.99197      14.13077 
1 1 1 -4  2  17 o 359.1556 11.19301 1803.667       99.50352 1665.403      176.4643 1868.123       120.4846 347.6095 18.85306 370.7017 12.07045 -23.09222      22.38601 
1 1 1 -4  2  18 o 234.5785 7.565295 764.6022       38.77399 778.6498      43.79039 713.6104       83.43092 240.1641 6.771539 228.9929 13.53074 11.17116       15.13059 
1 1 1 -4  2  19 o 60.78016 16.14272 23.37454       26.80321 14.63947      28.90502 76.96987       71.59843 43.14041 16.97057 78.41991 27.46543 -35.27950      32.28544 
1 1 1 -4  2  20 o 102.5321 15.00175 167.5617       28.86141 176.3828      31.17211 114.5926       76.38622 114.2220 10.13521 90.84212 28.23983 23.37989       30.00351 
1 1 1 -4  2  21 f 183.5147 9.636400 436.5357       33.23295 429.0136      35.73987 484.5819       90.32587 178.3381 7.442612 188.6913 17.77775 -10.35320      19.27280 
1 1 1 -4  2  22 o 205.2960 10.36040 612.0818       38.54200 627.3021      41.62342 520.5539       102.0711 215.6062 7.169571 194.9858 19.44091 20.62041       20.72080 
1 1 1 -4  2  23 f 206.9295 10.91996 635.4742       41.39877 655.7620      44.90952 520.7233       106.8071 220.2230 7.573426 193.6360 20.48475 26.58696       21.83992 
1 1 1 -4  2  24 o 212.5885 11.68355 606.6041       42.80502 601.9780      45.48115 642.4793       126.6561 210.9014 8.008822 214.2757 21.95178 -3.374390      23.36711 
1 1 1 -4  2  25 o 462.6833 10.11874 2802.555       102.6620 2706.736      114.7016 3188.456       230.1865 446.3384 9.543810 479.0282 17.84578 -32.68985      20.23749 
1 1 1 -4  2  26 o 349.8848 21.09567 1694.551       196.3655 2055.862      306.5068 1443.013       255.7416 380.7279 29.89799 319.0416 29.76944 61.68631       42.19135 
1 1 1 -4  2  27 o 66.08782 20.49185 28.43968       46.58498 23.52728      49.32114 69.06490       141.8353 52.64662 21.64603 79.52903 34.80104 -26.88241      40.98370 
1 1 1 -4  2  28 o 91.41565 20.44756 118.2831       41.87114 102.6814      44.79529 226.2148       117.8207 79.75047 20.68482 103.0808 35.27816 -23.33035      40.89511 
1 1 1 -4  2  29 o 62.20671 17.79265 53.64699       33.74607 48.06918      35.86193 96.77550       99.72040 54.77170 19.41500 69.64172 29.82232 -14.87003      35.58530 
1 1 1 -4  2  30 o 37.24863 12.97029 -50.67012      40.99487 -48.00368     48.32993 -57.50950      77.40304 33.66845 16.41617 40.82880 20.08541 -7.160351      25.94059 
1 1 1 -4  4  1  f 830.7872 17.56192 9306.055       392.8666 0.000000      0.000000 9306.055       392.8666 ?        ?        830.7872 17.56192 ?              ?        
1 1 1 -4  4  2  o 1116.892 23.57666 16836.70       709.0500 16836.70      709.0500 0.000000       0.000000 1116.892 23.57666 ?        ?        ?              ?        
1 1 1 -4  4  3  o 364.5516 5.552846 1789.033       54.49258 1759.677      75.97948 1820.126       78.19665 361.4741 7.806129 367.6291 7.899413 -6.155029      11.10569 
1 1 1 -4  4  4  o 341.4384 3.832873 1569.895       35.23650 1551.178      49.86947 1588.555       49.79449 339.4057 5.456727 343.4712 5.384031 -4.065491      7.665746 
1 1 1 -4  4  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  7  f 361.4377 4.898171 1730.967       44.39883 1836.788      79.85439 1683.616       53.41636 369.2851 8.030704 353.5904 5.610356 15.69470       9.796342 
1 1 1 -4  4  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  9  f 333.8381 3.896474 1499.897       34.96878 1514.323      51.04269 1487.138       48.00374 335.3485 5.652671 332.3276 5.364451 3.020905       7.792947 
1 1 1 -4  4  10 o 590.5601 6.440223 4697.810       102.4035 4675.096      145.5190 4720.092       144.1318 589.1440 9.173071 591.9761 9.042159 -2.832092      12.88045 
1 1 1 -4  4  11 o 860.7738 9.231061 9966.628       213.7192 9630.872      293.9148 10343.34       311.3253 845.4253 12.91109 876.1223 13.19673 -30.69696      18.46212 
1 1 1 -4  4  12 o 535.3162 5.995092 3857.659       86.30569 3905.105      125.5846 3815.195       118.8066 538.4276 8.662149 532.2047 8.290458 6.222839       11.99018 
1 1 1 -4  4  13 o 958.6873 10.27725 12403.90       265.2982 12341.69      374.8620 12466.34       375.5154 956.2749 14.55812 961.0996 14.51029 -4.824707      20.55449 
1 1 1 -4  4  14 o 521.0851 6.928387 3688.615       93.83573 3570.010      153.0550 3760.043       118.7769 514.1596 11.05519 528.0105 8.354222 -13.85089      13.85677 
1 1 1 -4  4  15 o 260.2376 5.769662 883.2900       36.11629 847.8149      42.04086 983.2220       70.56055 250.7469 6.226623 269.7284 9.715204 -18.98145      11.53932 
1 1 1 -4  4  16 o 274.7688 6.300964 1037.991       42.59065 1064.515      51.14251 977.9689       76.93420 280.8420 6.762955 268.6955 10.63349 12.14651       12.60193 
1 1 1 -4  4  17 o 193.0551 7.609224 518.5983       29.58780 525.6681      32.56875 485.1944       70.79353 197.3732 6.128151 188.7369 13.93007 8.636368       15.21845 
1 1 1 -4  4  18 o 198.0739 7.724880 488.2196       28.60993 472.6827      30.64081 593.9070       79.91502 187.1961 6.078832 208.9517 14.20362 -21.75562      15.44976 
1 1 1 -4  4  19 o 172.7714 9.569599 441.3036       30.90566 457.4060      33.67974 355.4590       77.76426 184.1417 6.792555 161.4010 17.89330 22.74069       19.13920 
1 1 1 -4  4  20 o 72.33206 14.66228 70.48956       24.89597 70.83227      27.28918 68.78878       60.79334 70.95345 14.76404 73.71067 25.33679 -2.757225      29.32456 
1 1 1 -4  4  21 o 297.8882 7.001772 1198.086       51.86664 1196.839      62.35617 1200.886       93.43574 297.8349 7.775360 297.9414 11.64659 -0.1065063     14.00354 
1 1 1 -4  4  22 o 232.8973 8.287522 783.2566       44.26717 833.3777      51.66263 644.8152       85.86160 248.3507 7.725521 217.4440 14.66453 30.90666       16.57504 
1 1 1 -4  4  23 o 288.9996 7.782865 1153.466       51.64722 1170.831      59.46692 1100.155       104.1940 294.2370 7.505762 283.7623 13.63655 10.47470       15.56573 
1 1 1 -4  4  24 o 279.7640 8.839641 1088.525       55.73093 1106.385      63.68794 1030.147       115.1442 285.8136 8.275436 273.7144 15.62287 12.09927       17.67928 
1 1 1 -4  4  25 o 262.2102 11.27371 960.7479       59.98030 964.8837      66.07403 941.3775       142.9944 266.3748 9.212006 258.0456 20.57972 8.329285       22.54741 
1 1 1 -4  4  26 o 138.7951 23.30846 342.4499       72.72698 375.3630      79.36111 169.9137       181.7037 164.7042 17.89450 112.8859 43.04561 51.81835       46.61693 
1 1 1 -4  4  27 o 76.30647 19.92096 93.69036       48.15060 97.25311      52.95613 76.68967       115.6797 77.10226 23.43316 75.51068 32.22213 1.591583       39.84192 
1 1 1 -4  4  28 o 90.06717 17.74794 157.0670       45.66275 173.7249      51.03321 90.18254       102.2599 106.8129 17.74377 73.32148 30.74275 33.49139       35.49589 
1 1 1 -4  4  29 o 55.95197 17.19005 40.92697       42.49297 45.76326      46.75846 17.98862       101.8322 54.43838 21.53037 57.46555 26.80362 -3.027176      34.38010 
1 1 1 -4  4  30 o 54.40320 15.93927 61.48857       35.24546 61.71251      38.84499 60.44550       83.83667 55.37170 20.13416 53.43470 24.71553 1.937004       31.87855 
1 1 1 -4  6  1  o 217.3147 3.185310 625.8000       16.97788 611.9480      20.09487 660.3534       31.73755 213.1862 3.500600 221.4431 5.322650 -8.256821      6.370621 
1 1 1 -4  6  2  o 511.4675 5.455956 3523.229       75.13034 3550.933      107.2795 3496.563       105.2502 513.4391 7.759693 509.4959 7.671830 3.943176       10.91191 
1 1 1 -4  6  3  o 660.6815 7.006413 5867.183       124.3997 6098.359      182.9422 5668.351       169.6627 672.7476 10.09900 648.6154 9.714394 24.13214       14.01283 
1 1 1 -4  6  4  o 972.9767 10.28025 12765.38       269.3213 12830.70      383.0231 12701.50       378.7681 975.4338 14.58290 970.5197 14.49391 4.914063       20.56050 
1 1 1 -4  6  5  o 427.3090 4.623311 2457.404       53.16156 2501.216      76.82779 2417.156       73.63728 430.9593 6.620621 423.6588 6.455028 7.300568       9.246621 
1 1 1 -4  6  6  o 540.2905 5.800638 3923.631       84.24299 4059.587      123.5611 3805.539       115.1575 549.0150 8.358226 531.5660 8.045475 17.44897       11.60128 
1 1 1 -4  6  7  o 578.0358 6.210198 4493.561       96.56033 4364.769      132.9513 4637.336       140.4728 569.2853 8.673195 586.7863 8.890554 -17.50092      12.42040 
1 1 1 -4  6  8  o 503.9530 5.482274 3420.401       74.38642 3414.429      105.8745 3426.223       104.5348 503.5175 7.808967 504.3885 7.696840 -0.8710938     10.96455 
1 1 1 -4  6  9  o 77.54844 6.018969 80.98161       12.56836 80.98161      12.56836 0.000000       0.000000 77.54844 6.018969 ?        ?        ?              ?        
1 1 1 -4  6  10 o 809.9874 8.628294 8839.379       188.1781 8864.168      267.4840 8815.088       264.7846 811.1094 12.24715 808.8653 12.15719 2.244141       17.25659 
1 1 1 -4  6  11 o 433.0767 4.856564 2523.840       56.56583 2566.073      82.31968 2486.060       77.85890 436.5036 7.003779 429.6497 6.729927 6.853851       9.713127 
1 1 1 -4  6  12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6  13 o 158.6497 4.576236 339.0055       19.54929 339.0055      19.54929 0.000000       0.000000 158.6497 4.576236 ?        ?        ?              ?        
1 1 1 -4  6  14 o 266.5735 3.678407 957.8126       26.39021 921.4584      37.27601 994.3444       37.36693 261.4967 5.293949 271.6503 5.108504 -10.15359      7.356814 
1 1 1 -4  6  15 o 102.0998 4.483909 140.1600       12.27302 135.9455      16.49485 145.3869       18.36944 100.3936 6.101812 103.8060 6.571884 -3.412399      8.967818 
1 1 1 -4  6  16 f 397.4813 4.962059 2135.024       53.01074 2121.489      77.21394 2147.093       72.90823 396.2467 7.236803 398.7159 6.790936 -2.469177      9.924118 
1 1 1 -4  6  17 o 187.3199 3.955374 472.8350       19.93345 460.3748      27.50704 486.6147       28.92685 184.7286 5.530015 189.9111 5.656754 -5.182526      7.910747 
1 1 1 -4  6  18 o 71.95675 12.58665 88.35183       18.76116 95.90140      19.90551 28.29709       56.14174 84.24369 8.775109 59.66981 23.59434 24.57388       25.17331 
1 1 1 -4  6  19 o 166.4347 7.399226 356.2166       25.61099 346.2181      28.14589 404.3440       61.75101 160.2158 6.524183 172.6535 13.28267 -12.43768      14.79845 
1 1 1 -4  6  20 o 349.0332 9.544851 1694.823       86.47562 1457.801      136.2941 1854.533       111.8787 327.7216 15.44502 370.3448 11.21910 -42.62323      19.08970 
1 1 1 -4  6  21 o 67.10009 14.94087 37.34520       24.80327 22.88959      27.14137 110.5685       61.08553 45.83218 16.80480 88.36800 24.70864 -42.53582      29.88174 
1 1 1 -4  6  22 o 60.42690 15.54098 13.91504       25.99894 -0.4098085    28.13868 97.50220       67.97177 37.15111 15.87356 83.70268 26.72299 -46.55157      31.08196 
1 1 1 -4  6  23 f 365.9201 7.392268 1803.435       66.08963 1781.634      78.23536 1857.760       123.4963 362.7878 8.008792 369.0524 12.42746 -6.264618      14.78454 
1 1 1 -4  6  24 o 401.9236 8.733465 2127.059       82.81946 2042.786      95.41907 2384.453       166.7586 387.8257 9.137242 416.0214 14.88638 -28.19562      17.46693 
1 1 1 -4  6  25 o 246.2493 10.40177 716.8313       54.01642 628.1133      58.81028 1195.424       136.5936 211.6877 10.31750 280.8110 18.06479 -69.12334      20.80354 
1 1 1 -4  6  26 o 269.2368 13.29816 1159.152       67.40765 1178.233      73.73545 1062.076       166.3143 290.0644 9.440578 248.4092 24.86443 41.65515       26.59633 
1 1 1 -4  6  27 o 80.93344 18.56849 111.4771       41.36386 118.1325      44.63233 70.96409       110.1181 87.29661 19.48169 74.57027 31.61676 12.72634       37.13699 
1 1 1 -4  6  28 o 91.19553 18.97079 135.7533       41.34127 123.1720      45.51015 195.1412       98.87672 86.93295 19.87489 95.45811 32.31953 -8.525162      37.94158 
1 1 1 -4  6  29 o 51.39150 15.60263 28.71060       43.09737 62.41050      49.83743 -71.21745      85.81932 58.55935 22.49253 44.22365 21.62995 14.33570       31.20527 
1 1 1 -4  6  30 o 54.56882 16.68809 61.62315       39.19085 53.59335      43.56635 95.68281       89.72614 51.66317 20.66916 57.47447 26.20601 -5.811295      33.37617 
1 1 1 -4  8  1  o 1312.026 13.86371 23216.44       489.7841 23192.70      692.0414 23240.26       693.2790 1311.354 19.59876 1312.697 19.61374 -1.342285      27.72742 
1 1 1 -4  8  2  o 1289.024 13.60997 22407.30       472.3723 22286.57      664.4723 22530.65       671.6561 1285.519 19.19618 1292.528 19.29850 -7.008545      27.21995 
1 1 1 -4  8  3  o 1385.654 14.62750 25899.86       545.7595 25996.10      774.4829 25804.92       769.1854 1388.207 20.71926 1383.101 20.65350 5.105591       29.25499 
1 1 1 -4  8  4  o 123.9559 2.411939 207.2458       8.036008 196.6192      11.49773 217.3942       11.23605 120.8437 3.533499 127.0681 3.283928 -6.224464      4.823878 
1 1 1 -4  8  5  o 579.3250 6.179722 4520.284       96.39935 4512.315      136.2245 4528.277       136.4343 578.8135 8.740438 579.8364 8.738454 -1.022888      12.35944 
1 1 1 -4  8  6  o 259.5762 3.071445 907.2422       21.46734 897.9935      30.32055 916.5383       30.39841 258.2496 4.360277 260.9027 4.327019 -2.653168      6.142891 
1 1 1 -4  8  7  o 471.9537 5.119381 2998.703       65.03790 3034.335      93.35056 2965.092       90.66325 474.6763 7.303584 469.2312 7.175647 5.445129       10.23876 
1 1 1 -4  8  8  o 182.2130 2.876111 445.7706       14.08183 466.0695      20.74423 428.4224       19.17736 186.0489 4.140825 178.3772 3.992695 7.671692       5.752221 
1 1 1 -4  8  9  o 243.4927 4.748808 798.3221       31.13536 798.3221      31.13536 0.000000       0.000000 243.4927 4.748808 ?        ?        ?              ?        
1 1 1 -4  8  10 o 96.00904 3.878791 122.8297       9.349297 127.7004      16.70294 120.6074       11.28231 97.37698 6.370202 94.64111 4.427258 2.735870       7.757583 
1 1 1 -4  8  11 o 182.7385 3.880542 449.6588       19.09439 0.000000      0.000000 449.6588       19.09439 ?        ?        182.7385 3.880542 ?              ?        
1 1 1 -4  8  12 o 475.2985 5.278504 3045.051       67.54725 3032.560      96.16886 3057.213       94.89633 474.3318 7.529546 476.2652 7.399753 -1.933319      10.55701 
1 1 1 -4  8  13 o 286.0697 3.700290 1103.454       28.48300 1062.487      40.45363 1143.729       40.11065 280.7952 5.350377 291.3442 5.112930 -10.54901      7.400580 
1 1 1 -4  8  14 o 338.6860 4.200907 1543.586       38.15272 1583.500      56.90224 1510.987       51.42477 342.6321 6.167625 334.7399 5.705339 7.892151       8.401814 
1 1 1 -4  8  15 o 92.64168 4.546115 115.9911       11.32366 122.8192      15.97474 109.0954       16.05370 95.39304 6.219188 89.89031 6.632524 5.502731       9.092231 
1 1 1 -4  8  16 o 132.6011 3.889436 237.5961       13.83651 242.2261      18.88555 232.2311       20.32972 134.0106 5.233679 131.1917 5.754951 2.818878       7.778872 
1 1 1 -4  8  17 o 98.25412 5.423125 129.2578       14.27708 119.5030      19.06867 141.7023       21.53771 94.07674 7.527568 102.4315 7.808769 -8.354752      10.84625 
1 1 1 -4  8  18 o 96.92451 5.974375 126.2030       15.38891 122.9476      20.08174 130.8344       23.95284 95.43905 7.814332 98.40997 9.039293 -2.970917      11.94875 
1 1 1 -4  8  19 o 186.4020 4.378882 467.7171       21.90979 459.6596      29.71670 477.3138       32.43118 184.6546 5.976639 188.1494 6.401424 -3.494705      8.757765 
1 1 1 -4  8  20 f 374.6096 6.522516 1914.747       61.89454 1954.914      76.07125 1836.074       106.4632 380.6819 7.421213 368.5372 10.72839 12.14474       13.04503 
1 1 1 -4  8  21 o 168.3690 7.616115 407.7095       28.24746 427.3862      32.27054 343.2232       58.42036 177.9344 6.735395 158.8037 13.66218 19.13063       15.23223 
1 1 1 -4  8  22 o 98.51727 12.96345 151.0466       25.29185 159.3300      27.99539 114.2663       58.99146 108.3962 9.591556 88.63834 24.08748 19.75787       25.92691 
1 1 1 -4  8  23 f 146.0140 11.30310 295.4690       31.24563 296.4811      33.84714 289.6337       81.27033 147.9538 8.495961 144.0742 20.94896 3.879547       22.60620 
1 1 1 -4  8  24 o 155.4137 15.92226 420.3011       40.59559 450.3481      44.07327 252.1324       104.2672 182.1583 8.985516 128.6691 30.55052 53.48921       31.84452 
1 1 1 -4  8  25 o 326.2022 18.15636 1335.120       147.2093 1917.456      282.2853 1117.595       172.5265 368.5800 28.44285 283.8245 22.57473 84.75552       36.31273 
1 1 1 -4  8  26 o 77.62584 20.69054 66.86466       39.88417 57.06603      42.09489 152.8706       124.7128 62.35579 21.08799 92.89590 35.60464 -30.54011      41.38107 
1 1 1 -4  8  27 o 99.02357 18.04828 182.3277       39.75663 190.4534      42.36406 122.3464       115.0999 115.3207 13.64291 82.72646 33.41904 32.59425       36.09656 
1 1 1 -4  8  28 o 53.95273 15.39510 37.64871       37.85476 63.92118      42.92510 -54.26950      80.29004 61.53550 21.28226 46.36996 22.25089 15.16554       30.79021 
1 1 1 -4  8  29 o 49.93150 15.98764 29.09872       37.65631 23.82446      41.43818 54.10133       90.22202 44.55490 19.15575 55.30809 25.60225 -10.75319      31.97527 
1 1 1 -4  10 1  o 402.8588 4.396815 2185.534       47.69503 2179.222      67.35786 2191.881       67.54443 402.2754 6.218440 403.4421 6.217631 -1.166779      8.793630 
1 1 1 -4  10 2  o 531.6398 5.701125 3800.430       81.50418 3922.686      119.0238 3692.486       111.8400 539.6739 8.190662 523.6056 7.932487 16.06830       11.40225 
1 1 1 -4  10 3  o 861.6451 9.124094 10005.67       211.6901 10012.57      299.7390 9998.797       299.0124 861.9410 12.91464 861.3492 12.89218 0.5917358      18.24819 
1 1 1 -4  10 4  o 518.0317 5.563590 3613.058       77.58609 3558.060      108.2431 3671.170       111.2659 513.9801 7.821151 522.0834 7.914777 -8.103333      11.12718 
1 1 1 -4  10 5  o 666.9277 7.103104 5991.508       127.5548 5962.049      179.5377 6021.532       181.2541 665.2734 10.02241 668.5821 10.06815 -3.308716      14.20621 
1 1 1 -4  10 6  o 832.0956 8.822031 9315.511       197.4373 9061.567      271.5101 9600.488       287.6232 820.0878 12.29539 844.1034 12.65450 -24.01556      17.64406 
1 1 1 -4  10 7  o 396.0125 4.379286 2111.808       46.69638 2121.792      66.34124 2102.004       65.74016 396.9399 6.206911 395.0850 6.179550 1.854889       8.758572 
1 1 1 -4  10 8  o 513.3121 5.563528 3548.398       76.88857 3510.398      107.7123 3587.878       109.7912 510.5115 7.835675 516.1128 7.900226 -5.601288      11.12706 
1 1 1 -4  10 9  o 283.0004 4.936998 1078.517       37.62127 1078.517      37.62127 0.000000       0.000000 283.0004 4.936998 ?        ?        ?              ?        
1 1 1 -4  10 10 o 402.6461 4.545444 2184.129       49.27902 2178.356      69.98549 2189.806       69.40031 402.1170 6.463565 403.1752 6.392697 -1.058197      9.090889 
1 1 1 -4  10 11 o 286.8220 3.650438 1107.853       28.05163 1113.951      41.87227 1102.888       37.78398 287.5272 5.408343 286.1167 4.904346 1.410492       7.300876 
1 1 1 -4  10 12 o 148.3379 3.516581 302.5466       13.37796 275.8034      22.11728 317.9759       16.79955 143.0411 5.742322 153.6347 4.060925 -10.59355      7.033163 
1 1 1 -4  10 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  10 14 o 291.5297 3.775923 1146.928       29.59481 1137.410      42.97185 1155.516       40.81793 290.3621 5.496178 292.6973 5.179035 -2.335266      7.551846 
1 1 1 -4  10 15 o 145.2287 3.586271 283.6650       13.98728 294.8586      20.68949 274.2422       18.98255 147.8538 5.196776 142.6036 4.943569 5.250168       7.172542 
1 1 1 -4  10 16 o 164.5001 3.624773 364.6441       16.05164 375.7692      22.96653 354.0201       22.44341 166.9526 5.108799 162.0476 5.143549 4.904999       7.249547 
1 1 1 -4  10 17 o 273.4308 5.715442 1007.964       42.08048 1007.964      42.08048 0.000000       0.000000 273.4308 5.715442 ?        ?        ?              ?        
1 1 1 -4  10 18 o 215.8556 3.998278 627.6536       23.23151 647.8770      33.33243 608.5502       32.39619 219.2349 5.646429 212.4762 5.662397 6.758759       7.996555 
1 1 1 -4  10 19 o 398.6818 5.028764 2137.846       53.91065 2017.565      74.02291 2273.708       78.67160 386.7730 7.107659 410.5905 7.115832 -23.81750      10.05753 
1 1 1 -4  10 20 o 239.7576 4.327580 771.4367       27.79402 740.6717      37.16299 810.4887       41.87001 234.3736 5.888689 245.1415 6.343119 -10.76791      8.655161 
1 1 1 -4  10 21 o 250.7927 4.406329 847.3818       29.66109 828.1978      40.17516 870.3676       43.97630 247.7018 6.023447 253.8837 6.432807 -6.181839      8.812657 
1 1 1 -4  10 22 o 298.2525 6.673543 1237.680       47.40891 1275.985      55.85252 1138.934       89.67464 307.2650 6.750660 289.2399 11.51405 18.02515       13.34709 
1 1 1 -4  10 23 o 131.2786 14.93077 267.6248       33.60700 275.5911      36.21705 218.2552       90.16033 142.4005 9.445357 120.1567 28.32838 22.24379       29.86155 
1 1 1 -4  10 24 o 111.8339 17.00019 102.6145       41.17461 59.92000      44.27661 375.6824       111.9757 65.17896 21.62311 158.4888 26.23866 -93.30986      34.00039 
1 1 1 -4  10 25 o 159.1661 14.83589 319.2032       41.44090 298.4983      43.81766 494.6760       127.5608 146.0721 11.14034 172.2601 27.50104 -26.18794      29.67178 
1 1 1 -4  10 26 f 78.07253 18.78093 86.42300       36.34167 81.07854      38.95411 122.3067       100.9370 72.16737 19.55797 83.97769 32.06834 -11.81032      37.56185 
1 1 1 -4  10 27 o 51.48425 16.21573 -10.46387      33.84576 -28.05191     37.02646 78.91370       83.46754 33.98053 15.95034 68.98797 28.23802 -35.00743      32.43145 
1 1 1 -4  10 28 o 48.68354 15.73284 10.75931       36.66606 5.038387      40.59925 36.06769       85.39202 41.14773 18.28556 56.21935 25.60718 -15.07161      31.46569 
1 1 1 -4  10 29 o 70.83577 17.34731 117.9680       37.47236 110.5931      41.57900 149.8675       86.47430 74.59010 20.20268 67.08143 28.20582 7.508675       34.69462 
1 1 1 -4  12 1  f 515.9839 5.564684 3584.956       77.29761 3536.952      107.9597 3635.449       110.7233 512.4421 7.824086 519.5258 7.914956 -7.083618      11.12937 
1 1 1 -4  12 2  o 935.3813 9.912801 11795.31       249.6671 11831.78      354.2881 11759.32       351.8895 936.8155 14.04491 933.9471 13.99267 2.868408       19.82560 
1 1 1 -4  12 3  o 929.0083 9.842543 11635.42       246.2123 11639.48      348.4834 11631.37       347.9110 929.1694 13.92848 928.8472 13.91043 0.3222046      19.68509 
1 1 1 -4  12 4  o 257.3239 3.182806 891.0153       22.03676 906.4521      31.89354 876.9132       30.48362 259.4546 4.565181 255.1932 4.436230 4.261368       6.365612 
1 1 1 -4  12 5  o 380.7441 4.251100 1950.859       43.55054 1987.983      63.04107 1916.968       60.23429 384.2050 6.093646 377.2833 5.929155 6.921692       8.502200 
1 1 1 -4  12 6  o 638.6541 6.826113 5495.668       117.3739 5542.663      167.5356 5450.368       164.4897 641.3322 9.701539 635.9759 9.605384 5.356323       13.65223 
1 1 1 -4  12 7  o 279.5095 3.394831 1051.885       25.54006 1060.852      36.71132 1043.474       35.55464 280.6627 4.857714 278.3563 4.743641 2.306396       6.789662 
1 1 1 -4  12 8  o 125.7805 3.356126 213.0530       11.36339 205.9340      15.96246 220.3677       16.18027 123.6500 4.794266 127.9110 4.697800 -4.260963      6.712251 
1 1 1 -4  12 9  o 209.0360 3.134969 586.8778       17.61794 556.4215      24.11254 621.7582       25.80449 203.2361 4.406143 214.8358 4.460722 -11.59967      6.269939 
1 1 1 -4  12 10 o 128.8290 3.863255 223.8101       13.39340 216.3779      19.02715 231.1094       18.85627 126.7050 5.576948 130.9529 5.347579 -4.247894      7.726510 
1 1 1 -4  12 11 o 114.1101 4.392732 176.3555       13.38227 169.6901      20.07202 181.6892       17.95518 112.1456 6.646993 116.0746 5.744724 -3.928993      8.785463 
1 1 1 -4  12 12 o 248.3319 3.506054 826.2828       23.14431 862.7905      36.04420 800.6703       30.19033 252.9461 5.292052 243.7177 4.600418 9.228348       7.012108 
1 1 1 -4  12 13 o 206.0103 3.528488 572.3053       19.13389 572.0856      30.45118 572.4487       24.59579 205.9442 5.491248 206.0764 4.432505 -0.1321106     7.056975 
1 1 1 -4  12 14 o 186.2488 3.731409 476.7038       18.26923 419.6163      28.06402 518.6887       24.06723 176.3468 5.910154 196.1508 4.556723 -19.80402      7.462818 
1 1 1 -4  12 15 o 90.66875 5.851358 103.0930       13.10600 131.3194      25.09292 92.50449       15.36887 98.54414 9.456645 82.79337 6.893869 15.75076       11.70272 
1 1 1 -4  12 16 o 338.8370 4.314113 1546.413       39.27941 1574.206      57.65038 1522.331       53.66269 341.6608 6.266479 336.0132 5.931065 5.647552       8.628226 
1 1 1 -4  12 17 o 157.1956 5.719815 333.0846       24.21061 0.000000      0.000000 333.0846       24.21061 ?        ?        157.1956 5.719815 ?              ?        
1 1 1 -4  12 18 o 186.8599 4.122088 470.6561       20.73946 470.2848      29.46341 471.0207       29.19844 186.7858 5.858086 186.9340 5.800799 -0.1482544     8.244177 
1 1 1 -4  12 19 o 294.2594 4.318434 1167.722       34.21237 1161.706      48.70628 1173.581       48.06725 293.5069 6.162872 295.0119 6.050990 -1.504944      8.636868 
1 1 1 -4  12 20 o 92.93022 7.458650 119.0425       18.29205 129.1595      24.26844 105.7339       27.83438 97.65871 9.228847 88.20172 11.71982 9.456993       14.91730 
1 1 1 -4  12 21 f 112.6660 7.156135 171.4031       21.17425 168.0175      26.98495 176.8275       34.15668 111.3284 9.001861 114.0036 11.12688 -2.675262      14.31227 
1 1 1 -4  12 22 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12 23 o 80.76862 13.50104 102.8060       28.76276 80.85981      37.24852 135.2183       45.26737 70.13552 19.17421 91.40170 19.01216 -21.26618      27.00208 
1 1 1 -4  12 24 o 247.7440 9.857381 802.2471       49.21595 765.9524      53.57521 998.4417       124.5620 235.8818 8.435018 259.6062 17.81916 -23.72440      19.71476 
1 1 1 -4  12 25 o 59.93491 17.16656 6.367017       30.90084 -10.45041     33.02826 124.4395       87.51453 36.04479 16.21940 83.82504 30.26044 -47.78025      34.33312 
1 1 1 -4  12 26 o 134.4935 12.16065 234.7284       33.46461 215.2252      36.39437 341.4432       85.13197 123.3906 10.95390 145.5965 21.71492 -22.20592      24.32130 
1 1 1 -4  12 27 o 51.86958 14.67219 38.41489       32.09250 55.00037      35.31475 -40.22995      76.90017 57.45940 19.31574 46.27977 22.09061 11.17962       29.34438 
1 1 1 -4  12 28 o 63.60635 17.66593 86.55695       40.27644 62.03470      47.25798 151.6496       76.99476 54.86824 21.66261 72.34447 27.91184 -17.47622      35.33185 
1 1 1 -4  14 1  f 201.0436 2.929137 544.4471       15.85477 552.0810      22.36573 536.7358       22.47876 202.4611 4.102590 199.6261 4.181882 2.835022       5.858274 
1 1 1 -4  14 2  o 272.0464 3.355724 996.8130       24.58022 1012.429      34.92896 981.4926       34.59679 274.1574 4.731537 269.9355 4.759841 4.221954       6.711448 
1 1 1 -4  14 3  o 248.3887 3.213656 830.4036       21.48189 812.9923      29.78271 849.2853       31.01469 245.6779 4.502095 251.0995 4.587100 -5.421585      6.427313 
1 1 1 -4  14 4  o 132.5595 3.258780 236.4361       11.62393 229.5679      16.07921 243.9549       16.82348 130.5458 4.574233 134.5732 4.642733 -4.027390      6.517559 
1 1 1 -4  14 5  o 94.79503 4.152455 122.0576       10.51073 111.2687      15.44594 131.3620       14.34398 90.85550 6.313641 98.73457 5.395319 -7.879066      8.304910 
1 1 1 -4  14 6  o 533.2527 5.786489 3836.254       83.08533 3812.769      117.0987 3860.063       117.9063 531.6096 8.180424 534.8957 8.186239 -3.286072      11.57298 
1 1 1 -4  14 7  o 273.8792 3.461561 1009.203       25.47957 1035.016      37.38497 986.8125       34.81884 277.1388 5.009753 270.6195 4.778282 6.519257       6.923121 
1 1 1 -4  14 8  f 211.1321 4.689549 600.7840       26.66053 600.7840      26.66053 0.000000       0.000000 211.1321 4.689549 ?        ?        ?              ?        
1 1 1 -4  14 9  o 324.2151 3.910911 1417.204       34.13947 1434.079      48.67525 1400.865       47.89518 326.1133 5.543146 322.3169 5.518554 3.796448       7.821822 
1 1 1 -4  14 10 o 413.2024 4.719970 2305.066       52.51512 2312.201      74.31365 2297.949       74.22163 413.8422 6.668843 412.5626 6.681242 1.279572       9.439939 
1 1 1 -4  14 11 o 73.50930 7.352567 74.63268       13.91267 57.08523      19.32107 93.52942       20.05015 63.87454 11.66341 83.14407 8.955770 -19.26953      14.70513 
1 1 1 -4  14 12 o 49.30198 10.02390 33.63832       14.09684 39.62844      20.41807 28.18237       19.48642 52.97304 14.07499 45.63093 14.27616 7.342110       20.04779 
1 1 1 -4  14 13 o 280.3810 3.836155 1051.961       28.64909 1112.813      44.37848 1008.481       37.51317 287.2551 5.737481 273.5068 5.093687 13.74826       7.672309 
1 1 1 -4  14 14 o 166.9928 4.280701 378.6431       18.37701 367.1377      30.75565 385.0317       22.91808 164.9660 6.923840 169.0196 5.035677 -4.053543      8.561402 
1 1 1 -4  14 15 o 456.5096 5.285846 2812.984       64.96014 2761.720      92.24865 2863.408       91.49106 452.3689 7.573278 460.6502 7.376052 -8.281311      10.57169 
1 1 1 -4  14 16 o 492.7654 5.640445 3276.669       74.80640 3263.999      107.3147 3288.646       104.3327 491.8215 8.103422 493.7094 7.848124 -1.887939      11.28089 
1 1 1 -4  14 17 o 285.9923 4.251764 1091.179       32.24056 1166.080      50.88939 1040.958       41.67018 294.0792 6.426575 277.9055 5.568584 16.17365       8.503529 
1 1 1 -4  14 18 o 446.6048 5.352722 2687.535       64.18273 2773.822      95.03892 2615.185       87.02570 453.1379 7.789108 440.0717 7.344136 13.06622       10.70544 
1 1 1 -4  14 19 o 265.5234 4.317029 951.9023       30.86186 944.6313      43.87069 959.0257       43.42327 264.5131 6.159478 266.5338 6.050437 -2.020782      8.634058 
1 1 1 -4  14 20 o 34.77081 10.85928 -10.93391      20.25761 -22.58441     27.82026 2.215353       29.55560 30.74127 14.22549 38.80035 16.41130 -8.059074      21.71855 
1 1 1 -4  14 21 o 310.7760 5.071641 1307.479       42.43472 1281.753      59.96794 1333.280       60.05566 307.6985 7.237863 313.8535 7.106302 -6.154968      10.14328 
1 1 1 -4  14 22 o 62.46290 13.30711 42.84155       28.21925 -3.351128     35.23580 125.4594       47.12317 38.12679 16.98350 86.79900 20.49091 -48.67221      26.61422 
1 1 1 -4  14 23 o 159.3136 9.588898 371.9172       38.62974 421.7838      49.31160 292.7012       62.15140 175.0064 10.46434 143.6209 16.07126 31.38556       19.17780 
1 1 1 -4  14 24 o 100.2873 10.75726 143.6049       28.04679 137.9501      35.10987 153.5766       46.62360 98.44861 13.24452 102.1259 16.95456 -3.677299      21.51452 
1 1 1 -4  14 25 o 48.89551 14.11210 22.87815       27.98082 19.30751      34.24826 30.04592       48.52405 44.94660 18.20413 52.84442 21.56885 -7.897820      28.22421 
1 1 1 -4  14 26 o 107.8785 15.35112 239.2837       35.15698 265.1818      39.23690 133.8205       79.17934 136.1494 10.70275 79.60760 28.77635 56.54182       30.70224 
1 1 1 -4  14 27 o 58.86948 16.59171 60.31263       32.34335 50.02417      35.54534 109.8239       77.97573 52.62598 19.24108 65.11299 27.03555 -12.48701      33.18343 
1 1 1 -4  16 1  o 434.3761 4.856364 2546.307       56.80080 2553.759      80.58201 2538.949       80.07730 435.0060 6.879542 433.7462 6.856309 1.259766       9.712728 
1 1 1 -4  16 2  o 358.3697 4.172826 1732.107       40.26653 1734.188      56.91723 1730.022       56.97376 358.5859 5.894774 358.1536 5.907752 0.4323120      8.345652 
1 1 1 -4  16 3  o 177.1592 3.288582 423.1481       15.66696 451.3369      22.28645 395.6077       22.02866 182.9993 4.522806 171.3191 4.775282 11.68025       6.577164 
1 1 1 -4  16 4  o 226.7371 3.321258 692.7529       20.27001 699.5229      29.11429 686.3842       28.23804 227.8091 4.746263 225.6650 4.647151 2.144104       6.642517 
1 1 1 -4  16 5  o 375.9084 4.335380 1906.070       43.87364 1920.444      62.78013 1892.348       61.33838 377.2874 6.179688 374.5295 6.082230 2.757874       8.670759 
1 1 1 -4  16 6  o 371.1147 4.319637 1858.248       43.16290 1832.868      60.65604 1884.284       61.43451 368.5475 6.112195 373.6819 6.105581 -5.134430      8.639274 
1 1 1 -4  16 7  o 455.1899 5.094287 2797.979       62.41783 2744.071      86.88370 2855.478       89.72936 450.6713 7.159704 459.7086 7.248841 -9.037354      10.18857 
1 1 1 -4  16 8  o 278.2748 5.181322 1044.254       38.82379 1044.254      38.82379 0.000000       0.000000 278.2748 5.181322 ?        ?        ?              ?        
1 1 1 -4  16 9  f 338.9857 4.100026 1550.655       37.42381 1549.305      52.81018 1552.017       53.04108 338.8388 5.788167 339.1326 5.808438 -0.2937927     8.200051 
1 1 1 -4  16 10 o 287.4031 3.803469 1113.025       29.42242 1140.961      42.35450 1086.971       40.90265 290.8835 5.407506 283.9226 5.350176 6.960968       7.606938 
1 1 1 -4  16 11 o 292.2832 3.923028 1150.295       30.83042 1123.498      42.28473 1180.708       45.04794 288.6628 5.440132 295.9037 5.653808 -7.240967      7.846056 
1 1 1 -4  16 12 o 465.8639 5.319535 2927.139       66.69099 2879.316      92.47829 2978.960       96.26633 461.9145 7.435237 469.8133 7.609669 -7.898773      10.63907 
1 1 1 -4  16 13 o 377.6471 4.627574 1922.665       47.04360 1886.438      65.58330 1961.062       67.51827 373.9877 6.512573 381.3065 6.576030 -7.318787      9.255149 
1 1 1 -4  16 14 o 58.87185 10.75535 45.53172       16.26319 59.46517      29.14648 39.23238       19.59766 64.91692 16.60694 52.82677 13.67187 12.09015       21.51071 
1 1 1 -4  16 15 o 187.8241 4.551097 483.7326       22.37461 437.7372      35.13360 515.1144       29.02050 180.1491 7.242811 195.4990 5.512859 -15.34988      9.102194 
1 1 1 -4  16 16 o 141.6871 5.174177 256.1127       18.46786 312.4984      33.82663 232.1690       22.04291 152.1534 8.256454 131.2207 6.238543 20.93269       10.34835 
1 1 1 -4  16 17 o 265.0731 4.461466 956.6327       31.52602 814.9376      45.11901 1091.807       44.06859 245.6702 6.820618 284.4760 5.753076 -38.80586      8.922932 
1 1 1 -4  16 18 o 277.8427 4.561901 1019.752       32.93681 1129.078      55.41880 960.0463       40.95474 288.9998 7.121578 266.6856 5.703235 22.31418       9.123801 
1 1 1 -4  16 19 o 47.92792 12.69451 19.83422       21.87003 39.75530      36.20432 8.388285       27.44287 56.16438 19.53844 39.69146 16.21271 16.47293       25.38902 
1 1 1 -4  16 20 o 76.63248 12.44954 79.35557       26.74404 128.8821      40.77393 41.96010       35.43014 96.60336 15.67498 56.66160 19.34579 39.94176       24.89909 
1 1 1 -4  16 21 o 35.96937 17.16412 -55.17541      46.35414 -55.17541     46.35414 0.000000       0.000000 35.96937 17.16412 ?        ?        ?              ?        
1 1 1 -4  16 22 o 39.79096 12.91446 -16.95427      31.80651 -3.748205     42.91542 -33.04909      47.37723 41.53735 18.60516 38.04456 17.91595 3.492790       25.82892 
1 1 1 -4  16 23 o 109.6846 9.107874 160.5873       25.89394 113.2274      32.75415 239.5124       42.28330 89.03800 13.66179 130.3312 12.04861 -41.29322      18.21575 
1 1 1 -4  16 24 o 141.3318 7.532821 287.2988       27.94815 327.0319      37.57950 238.1235       41.80693 153.3398 9.101495 129.3237 12.00568 24.01608       15.06564 
1 1 1 -4  16 25 o 68.89560 14.20610 81.89365       28.66028 97.45918      38.98458 63.58614       42.27908 76.56157 19.00007 61.22963 21.12463 15.33194       28.41220 
1 1 1 -4  16 26 o 49.87428 13.62002 39.70362       28.45783 63.84474      37.31011 6.122775       44.00415 58.40455 19.85285 41.34401 18.65165 17.06054       27.24003 
1 1 1 -4  18 1  o 292.4580 3.766605 1153.659       29.65856 1150.266      41.61109 1157.162       42.28408 292.0245 5.291835 292.8915 5.361506 -0.8669739     7.533211 
1 1 1 -4  18 2  o 160.9627 3.642586 348.9922       15.66044 345.9493      20.82195 352.9553       23.76267 160.1733 4.827785 161.7521 5.455844 -1.578751      7.285173 
1 1 1 -4  18 3  o 192.6371 3.529300 500.4433       18.25815 500.5193      24.93058 500.3553       26.81402 192.6645 4.805596 192.6098 5.170114 0.5470276E-01  7.058600 
1 1 1 -4  18 4  o 260.3523 3.615908 914.1299       25.34740 918.4755      35.69376 909.7091       36.00150 260.9794 5.079287 259.7253 5.147817 1.254150       7.231817 
1 1 1 -4  18 5  o 230.5316 3.600573 716.4778       22.33997 714.9121      31.10546 718.1457       32.10524 230.2764 5.016535 230.7869 5.166321 -0.5105286     7.201146 
1 1 1 -4  18 6  f 528.8596 5.834422 3774.841       83.02313 3683.223      114.7599 3875.447       120.2578 522.1535 8.162226 535.5657 8.339063 -13.41217      11.66884 
1 1 1 -4  18 7  o 351.1860 4.246761 1663.525       40.15763 1658.308      56.93289 1668.690       56.65110 350.6355 6.030092 351.7366 5.981463 -1.101074      8.493522 
1 1 1 -4  18 8  o 557.3586 6.127532 4194.735       91.93583 4126.586      128.2002 4266.888       131.9131 552.7111 8.614043 562.0062 8.716928 -9.295044      12.25506 
1 1 1 -4  18 9  o 157.0359 4.159550 332.2411       17.58102 345.4998      25.23626 319.7381       24.50644 160.0788 5.854742 153.9931 5.910111 6.085739       8.319099 
1 1 1 -4  18 10 o 79.90173 8.016406 90.17621       16.20505 112.8948      22.47065 65.55661       23.39191 91.40963 9.129359 68.39384 13.17975 23.01579       16.03281 
1 1 1 -4  18 11 o 192.6703 5.693243 500.3925       29.53643 500.3925      29.53643 0.000000       0.000000 192.6703 5.693243 ?        ?        ?              ?        
1 1 1 -4  18 12 o 328.8561 4.324732 1457.059       38.28318 1508.189      54.82832 1408.417       53.47811 334.4845 6.087592 323.2277 6.144465 11.25677       8.649464 
1 1 1 -4  18 13 o 320.0040 4.342555 1379.909       37.39869 1444.334      53.46188 1318.170       52.33558 327.3203 6.065797 312.6876 6.215885 14.63269       8.685109 
1 1 1 -4  18 14 o 317.7731 6.237623 1361.583       53.37276 1361.583      53.37276 0.000000       0.000000 317.7731 6.237623 ?        ?        ?              ?        
1 1 1 -4  18 15 o 256.8950 4.234523 888.6964       28.97991 902.7729      44.49929 878.3296       38.18834 258.6180 6.390148 255.1720 5.557946 3.446045       8.469047 
1 1 1 -4  18 16 o 226.9854 4.475560 703.2148       27.05344 602.7852      39.09480 795.4960       37.47524 211.2056 6.874325 242.7651 5.732906 -31.55946      8.951120 
1 1 1 -4  18 17 o 123.9579 6.531418 198.1701       20.93021 245.0046      36.23574 174.7210       25.63998 134.3327 10.01779 113.5831 8.383410 20.74966       13.06284 
1 1 1 -4  18 18 o 61.41674 13.75737 53.10231       25.81732 37.59136      41.59844 62.81997       32.92597 56.72042 20.80333 66.11306 18.00783 -9.392639      27.51473 
1 1 1 -4  18 19 o 96.55380 10.70082 125.5538       27.24349 146.6920      44.30221 112.6990       34.54801 102.7477 16.01289 90.35989 14.19920 12.38783       21.40164 
1 1 1 -4  18 20 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  18 21 o 116.3207 10.01794 193.8644       30.22696 136.2272      42.66171 251.9669       42.83356 97.85392 16.19111 134.7874 11.80188 -36.93351      20.03588 
1 1 1 -4  18 22 o 73.78201 12.54099 85.76475       25.12312 106.8593      33.79453 59.70428       37.56232 85.01373 15.32681 62.55030 19.85434 22.46343       25.08199 
1 1 1 -4  18 23 o 68.55368 13.54862 75.30423       26.37247 59.09353      36.58300 92.84393       38.05303 60.90755 19.62154 76.19981 18.68837 -15.29226      27.09723 
1 1 1 -4  18 24 o 51.77563 13.11297 34.28320       26.48559 72.67691      37.59061 -3.566542      37.32337 65.11098 19.73276 38.44027 17.27477 26.67071       26.22593 
1 1 1 -4  18 25 o 40.25125 12.72989 3.749555       28.21966 -14.91481     36.89433 30.06368       43.80741 34.19162 16.00860 46.31088 19.79710 -12.11926      25.45978 
1 1 1 -4  20 1  o 415.0659 4.824096 2323.347       53.90754 2366.217      77.05276 2282.246       75.44618 418.8139 6.832564 411.3180 6.812025 7.495972       9.648192 
1 1 1 -4  20 2  o 172.0870 3.936247 401.6894       18.12682 437.4879      25.10644 362.7079       26.19884 180.1608 5.175370 164.0131 5.932260 16.14767       7.872494 
1 1 1 -4  20 3  o 438.7826 5.043198 2597.709       59.58421 2600.445      84.04296 2594.945       84.48842 439.0178 7.109447 438.5473 7.154798 0.4705200      10.08640 
1 1 1 -4  20 4  o 149.7157 4.228470 301.0511       16.99568 287.7818      22.98799 317.0484       25.24068 146.0965 5.843565 153.3349 6.113313 -7.238434      8.456941 
1 1 1 -4  20 5  o 416.8024 4.848284 2342.574       54.39637 2380.511      78.10139 2306.835       75.80612 420.0724 6.904801 413.5323 6.807873 6.540100       9.696568 
1 1 1 -4  20 6  o 65.95776 8.935738 60.48479       15.48101 67.37286      21.50862 53.08072       22.29971 70.55946 11.32072 61.35607 13.82863 9.203392       17.87148 
1 1 1 -4  20 7  o 612.3943 6.703812 5065.421       110.5359 5090.405      157.4489 5041.141       155.2177 613.8737 9.525268 610.9149 9.435764 2.958862       13.40762 
1 1 1 -4  20 8  o 317.5279 4.172728 1358.413       35.66656 1315.241      49.87511 1403.598       51.02481 312.3652 5.929771 322.6906 5.872347 -10.32547      8.345456 
1 1 1 -4  20 9  o 80.19664 8.341619 89.09019       17.33802 73.34987      24.69386 104.3941       24.34910 72.49639 13.13354 87.89688 10.28788 -15.40049      16.68324 
1 1 1 -4  20 10 o 107.0604 6.443799 154.7418       18.56741 153.6994      25.82793 155.8566       26.71089 106.6916 8.990340 107.4292 9.233849 -0.7375946     12.88760 
1 1 1 -4  20 11 o 153.5981 5.198672 320.1790       21.32742 336.4638      28.85652 300.5745       31.66127 157.9510 6.784817 149.2453 7.878517 8.705765       10.39734 
1 1 1 -4  20 12 o 353.6481 4.630557 1688.899       44.06802 1712.104      61.51792 1664.440       63.15760 356.1628 6.414601 351.1334 6.679904 5.029480       9.261113 
1 1 1 -4  20 13 o 215.7014 4.669291 633.7751       26.84898 680.2584      36.39273 578.2576       39.77234 224.5097 6.019996 206.8930 7.139240 17.61670       9.338581 
1 1 1 -4  20 14 o 286.0165 6.237897 1104.848       48.04108 1104.848      48.04108 0.000000       0.000000 286.0165 6.237897 ?        ?        ?              ?        
1 1 1 -4  20 15 f 211.5460 4.858400 605.3640       27.64354 592.0978      39.77993 617.7529       38.44212 209.2799 7.059159 213.8120 6.677162 -4.532043      9.716801 
1 1 1 -4  20 16 o 211.3176 5.235310 616.5201       29.01018 543.4838      44.89405 668.8818       38.01250 200.2027 8.327899 222.4326 6.346652 -22.22986      10.47062 
1 1 1 -4  20 17 o 69.18668 21.60847 67.63139       44.66508 67.63139      44.66508 0.000000       0.000000 69.18668 21.60847 ?        ?        ?              ?        
1 1 1 -4  20 18 o 90.45066 23.92381 118.4553       59.16364 118.4553      59.16364 0.000000       0.000000 90.45066 23.92381 ?        ?        ?              ?        
1 1 1 -4  20 19 o 57.30439 13.60869 50.21849       29.10773 -0.3270000    45.87811 84.27319       37.65761 43.23042 19.30905 71.37837 19.18192 -28.14796      27.21738 
1 1 1 -4  20 20 o 66.35008 11.03260 62.24075       24.67223 -2.437162     35.19181 124.7593       34.59935 39.26769 17.25508 93.43247 13.75266 -54.16478      22.06520 
1 1 1 -4  20 21 o 48.24714 13.00265 25.58237       24.11201 10.09628      33.31263 42.62329       34.94496 41.90384 17.55702 54.59044 19.18403 -12.68660      26.00531 
1 1 1 -4  20 22 o 44.53851 13.15771 2.576747       27.54826 45.82135      43.75956 -25.81325      35.45600 55.66261 21.14849 33.41442 15.66022 22.24819       26.31542 
1 1 1 -4  20 23 o 41.71635 13.12938 2.268789       29.01471 22.26440      46.67909 -10.32082      37.03916 47.12160 20.29562 36.31109 16.66166 10.81051       26.25877 
1 1 1 -4  20 24 o 49.73885 14.37239 46.21015       30.49869 44.65335      45.23385 47.50779       41.29771 49.34958 20.54932 50.12811 20.09944 -0.7785225     28.74478 
1 1 1 -4  22 1  o 261.0433 3.995923 918.0552       28.02550 911.9551      38.32039 925.0698       41.09277 260.1209 5.471056 261.9657 5.825559 -1.844788      7.991845 
1 1 1 -4  22 2  o 222.4632 4.095849 667.9066       24.48176 680.7261      33.72290 653.6218       35.59804 224.7328 5.572821 220.1935 6.003965 4.539291       8.191698 
1 1 1 -4  22 3  o 308.8445 4.237936 1285.004       35.18229 1271.740      48.24004 1300.077       51.42288 307.1536 5.832686 310.5355 6.149810 -3.381927      8.475871 
1 1 1 -4  22 4  o 391.8312 4.770596 2069.384       50.29229 2044.972      69.55812 2096.125       72.80072 389.4218 6.633521 394.2406 6.857897 -4.818756      9.541192 
1 1 1 -4  22 5  o 535.0259 6.009327 3864.066       86.57296 3873.552      122.3685 3854.559       122.4969 535.6859 8.483519 534.3660 8.513399 1.319885       12.01865 
1 1 1 -4  22 6  o 401.4315 4.843595 2173.186       52.35229 2156.953      73.54138 2189.864       74.54343 399.9139 6.829390 402.9490 6.870303 -3.035126      9.687189 
1 1 1 -4  22 7  o 396.9073 4.838717 2125.073       51.70598 2147.452      73.88029 2103.588       72.38910 398.9508 6.877425 394.8638 6.808360 4.087067       9.677435 
1 1 1 -4  22 8  o 210.6917 4.248727 598.7049       24.08718 606.0011      34.80790 592.0004       33.36663 211.9157 6.100021 209.4676 5.915781 2.448074       8.497454 
1 1 1 -4  22 9  o 265.8690 4.259421 952.1397       30.46207 916.0295      41.93969 992.4623       44.31842 260.5476 5.977984 271.1903 6.069133 -10.64276      8.518843 
1 1 1 -4  22 10 o 102.0932 7.362378 143.5702       19.92092 165.7956      27.49387 119.0067       28.90387 110.6232 9.230102 93.56331 11.47274 17.05984       14.72476 
1 1 1 -4  22 11 o 305.4299 4.545858 1260.948       37.35130 1279.642      51.94696 1240.937       53.74433 307.8005 6.267688 303.0592 6.586000 4.741333       9.091717 
1 1 1 -4  22 12 o 411.8987 7.198613 2294.170       79.84039 2294.170      79.84039 0.000000       0.000000 411.8987 7.198613 ?        ?        ?              ?        
1 1 1 -4  22 13 o 73.82227 17.10794 78.20767       33.34216 78.20767      33.34216 0.000000       0.000000 73.82227 17.10794 ?        ?        ?              ?        
1 1 1 -4  22 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  22 15 o 75.07407 13.87855 83.32484       28.24722 98.70081      43.14587 71.79056       37.36916 80.87313 19.93934 69.27499 19.31009 11.59814       27.75710 
1 1 1 -4  22 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  22 17 o 56.42520 13.15620 49.74456       28.91743 -30.19628     53.96411 81.94634       34.25000 41.29425 19.34261 71.55614 17.83831 -30.26189      26.31239 
1 1 1 -4  22 18 o 131.4904 8.237877 216.0422       26.68183 400.2038      46.14007 123.5160       32.70476 169.6804 10.09865 93.30051 13.01798 76.37986       16.47575 
1 1 1 -4  22 19 o 32.39948 10.87197 -33.51572      24.04765 -36.65676     41.26237 -31.90010      29.59286 35.46719 16.70757 29.33178 13.91601 6.135418       21.74393 
1 1 1 -4  22 20 o 77.74635 13.44700 96.84647       27.43226 100.8869      43.96859 94.27131       35.10208 78.00531 20.62024 77.48740 17.26538 0.5179138      26.89400 
1 1 1 -4  22 21 o 48.73759 13.66829 32.12115       27.59353 1.484922      50.36454 45.26148       32.98454 44.39090 19.99683 53.08429 18.63908 -8.693386      27.33658 
1 1 1 -4  22 22 o 38.73402 12.62101 -10.00028      29.31203 21.21791      48.33426 -28.16035      36.86463 45.40586 20.07537 32.06218 15.30161 13.34369       25.24203 
1 1 1 -4  24 1  o 169.8926 4.830827 390.8316       21.88219 396.0038      29.09040 384.0911       33.20918 171.2356 6.309171 168.5496 7.317234 2.685989       9.661654 
1 1 1 -4  24 2  o 324.5759 4.469729 1423.164       39.04338 1480.124      55.31118 1366.595       55.12068 331.0690 6.204560 318.0827 6.435632 12.98636       8.939459 
1 1 1 -4  24 3  o 273.9868 4.276745 1014.176       31.42038 1020.193      42.60522 1007.001       46.52308 274.9154 5.755464 273.0582 6.327467 1.857269       8.553491 
1 1 1 -4  24 4  o 282.8344 4.362401 1081.479       33.18469 1115.568      46.33175 1045.570       47.55253 287.4411 5.986135 278.2276 6.347313 9.213440       8.724803 
1 1 1 -4  24 5  o 422.7139 5.131752 2415.548       58.40215 2475.142      83.24376 2357.782       81.95750 427.8551 7.225561 417.5728 7.289087 10.28235       10.26350 
1 1 1 -4  24 6  o 87.48125 8.903187 108.1889       19.93961 125.7395      27.11434 87.51978       29.42488 96.19689 10.46778 78.76559 14.40460 17.43130       17.80637 
1 1 1 -4  24 7  o 54.79592 11.81753 41.18650       19.47499 52.94907      27.29089 28.98120       27.79975 60.96939 16.30634 48.62245 17.10904 12.34694       23.63505 
1 1 1 -4  24 8  o 183.0199 5.113268 452.8526       25.15253 452.1668      34.52924 453.6279       36.71325 182.8956 7.011329 183.1442 7.444683 -0.2486420     10.22654 
1 1 1 -4  24 9  o 231.1425 4.971869 721.6618       30.92167 760.9432      44.53526 685.0989       42.96660 237.2169 6.972281 225.0680 7.089797 12.14886       9.943738 
1 1 1 -4  24 10 o 234.6722 5.240412 743.4971       33.01480 718.4192      44.69857 773.6013       48.97371 230.3681 7.205894 238.9764 7.610701 -8.608246      10.48082 
1 1 1 -4  24 11 o 128.6599 8.080989 225.6587       27.54751 175.4296      37.82530 282.3900       40.19910 113.2729 12.40146 144.0469 10.36404 -30.77394      16.16198 
1 1 1 -4  24 12 o 346.8885 7.277476 1650.269       67.97576 1650.269      67.97576 0.000000       0.000000 346.8885 7.277476 ?        ?        ?              ?        
1 1 1 -4  24 13 o 273.1162 8.785466 1009.106       64.60940 0.000000      0.000000 1009.106       64.60940 ?        ?        273.1162 8.785466 ?              ?        
1 1 1 -4  24 14 o 40.93202 18.52267 -17.59022      43.78592 0.000000      0.000000 -17.59022      43.78592 ?        ?        40.93202 18.52267 ?              ?        
1 1 1 -4  24 15 o 53.90117 14.10383 30.25118       27.54785 57.72128      43.51416 11.87761       35.58749 63.43763 21.44061 44.36472 18.32955 19.07291       28.20766 
1 1 1 -4  24 16 o 128.0320 8.249531 215.5122       27.37732 289.7091      47.21952 177.9408       33.60140 143.2920 12.23816 112.7719 11.06555 30.52003       16.49906 
1 1 1 -4  24 17 o 37.19250 11.98370 -21.27757      24.48641 7.688882      43.79788 -34.44830      29.53318 45.68308 19.66771 28.70191 13.69734 16.98117       23.96740 
1 1 1 -4  24 18 o 73.66357 13.56668 90.39782       27.14560 76.54571      43.70418 99.09850       34.63710 67.56503 21.41294 79.76211 16.66448 -12.19707      27.13335 
1 1 1 -4  24 19 o 75.86797 13.76223 103.5557       28.76473 75.41571      47.57434 119.7708       36.11352 64.65656 22.40271 87.07936 15.99108 -22.42280      27.52446 
1 1 1 -4  24 20 o 61.33952 14.23853 74.61963       29.44095 42.38953      50.03023 91.69281       36.41320 51.15613 21.47901 71.52290 18.69746 -20.36676      28.47706 
1 1 1 -4  24 21 o 42.60882 13.14118 19.55481       30.20697 -16.41290     50.11529 40.07854       37.85664 37.81871 17.99099 47.39893 19.15950 -9.580219      26.28235 
1 1 1 -4  26 1  f 216.3366 5.104657 638.7649       29.27429 667.4432      38.68738 600.3474       44.77725 222.1787 6.466712 210.4946 7.900109 11.68408       10.20931 
1 1 1 -4  26 2  o 168.1748 6.172085 392.1340       26.71008 415.4002      33.77816 353.3097       43.63402 175.1916 7.160434 161.1580 10.05518 14.03354       12.34417 
1 1 1 -4  26 3  o 135.6746 6.942453 253.1424       24.28471 260.7948      30.51987 239.9356       40.09436 138.7054 8.171579 132.6439 11.22568 6.061539       13.88491 
1 1 1 -4  26 4  o 231.3104 4.907873 722.2300       30.15681 714.1837      39.43766 733.5593       46.79671 229.8500 6.372109 232.7709 7.466263 -2.920837      9.815745 
1 1 1 -4  26 5  o 158.6056 6.003008 340.6847       25.46778 336.7356      34.02443 345.7163       38.40607 157.6257 8.016421 159.5856 8.937640 -1.959900      12.00602 
1 1 1 -4  26 6  o 357.5345 4.989666 1726.639       47.90994 1639.837      64.93620 1830.338       70.97568 347.7583 6.934673 367.3107 7.176167 -19.55243      9.979332 
1 1 1 -4  26 7  o 53.68969 13.59021 41.83538       25.45547 26.40610      34.71454 59.78108       37.43853 46.83250 18.54217 60.54688 19.87367 -13.71437      27.18041 
1 1 1 -4  26 8  o 71.76118 21.49816 73.80308       44.80745 73.80308      44.80745 0.000000       0.000000 71.76118 21.49816 ?        ?        ?              ?        
1 1 1 -4  26 9  o 376.2031 8.257490 1913.183       83.64767 1913.183      83.64767 0.000000       0.000000 376.2031 8.257490 ?        ?        ?              ?        
1 1 1 -4  26 10 o 309.4673 8.092113 1302.690       67.43108 1302.690      67.43108 0.000000       0.000000 309.4673 8.092113 ?        ?        ?              ?        
1 1 1 -4  26 11 o 228.9010 6.087241 725.1958       36.95992 760.1777      49.00837 679.0601       56.28162 235.7839 7.719208 222.0181 9.414448 13.76585       12.17448 
1 1 1 -4  26 12 o 89.17467 12.35777 118.9766       28.52408 114.2819      38.58512 124.6340       42.35640 87.42815 17.00242 90.92117 17.93810 -3.493019      24.71554 
1 1 1 -4  26 13 o 46.72408 12.82376 3.936011       27.16569 56.33582      39.81842 -41.69028      37.15581 61.15427 20.51069 32.29390 15.39828 28.86037       25.64752 
1 1 1 -4  26 14 o 45.66235 12.99675 8.930110       27.38628 -29.35285     39.79441 43.37466       37.74676 35.85020 16.73301 55.47450 19.89142 -19.62429      25.99351 
1 1 1 -4  26 15 o 39.86715 12.57964 -4.533773      27.47512 -2.092854     39.03798 -6.929627      38.67593 40.52012 17.97219 39.21419 17.60652 1.305931       25.15928 
1 1 1 -4  26 16 o 71.56976 13.91094 86.32087       27.73032 92.45435      38.06073 79.38130       40.48459 74.83110 18.88764 68.30843 20.42828 6.522667       27.82189 
1 1 1 -4  26 17 o 49.62918 13.05829 23.30421       27.41556 76.54963      40.52116 -21.64425      37.23044 65.07095 20.61800 34.18742 16.03042 30.88353       26.11659 
1 1 1 -4  26 18 f 60.25460 12.60116 68.87167       27.95553 4.337384      43.89233 112.9181       36.26176 40.23468 18.33897 80.27453 17.28696 -40.03985      25.20232 
1 1 1 -4  28 1  o 57.39071 18.19494 47.52238       31.55311 47.52238      31.55311 0.000000       0.000000 57.39071 18.19494 ?        ?        ?              ?        
1 1 1 -4  28 2  o 125.2123 8.363799 227.0797       26.10937 247.0566      32.35754 189.8011       44.20185 134.2630 8.950258 116.1615 14.13172 18.10155       16.72760 
1 1 1 -4  28 3  o 49.51818 13.24567 28.25225       23.74936 30.50907      29.85287 24.36144       39.19734 49.06610 17.67947 49.97026 19.72884 -0.9041672     26.49134 
1 1 1 -4  28 4  o 80.59286 11.74655 94.45322       24.31086 89.80110      31.52762 101.2762       38.18155 78.51260 15.46333 82.67312 17.68647 -4.160522      23.49310 
1 1 1 -4  28 5  o 43.65676 12.81275 10.62274       24.91221 18.75935      32.65113 -0.7127859     38.53872 45.26074 17.96278 42.05279 18.27580 3.207951       25.62550 
1 1 1 -4  28 6  o 121.4715 9.169094 200.5982       28.04345 118.4051      36.35942 321.2907       44.05948 90.95940 14.84520 151.9837 10.76612 -61.02426      18.33819 
1 1 1 -4  28 7  o 42.96863 17.72461 13.41005       33.20362 13.41005      33.20362 0.000000       0.000000 42.96863 17.72461 ?        ?        ?              ?        
1 1 1 -4  28 8  f 138.0014 7.214266 263.9884       26.36061 260.0993      34.20744 269.6746       41.36255 137.1410 9.263386 138.8617 11.06220 -1.720657      14.42853 
1 1 1 -4  28 9  o 165.6508 6.573933 384.1306       28.62902 407.4077      37.42379 351.2889       44.45253 172.2975 8.066506 159.0040 10.38257 13.29347       13.14787 
1 1 1 -4  28 10 o 62.62907 14.07012 60.52945       26.56162 54.67525      35.59468 67.88570       39.90063 59.70007 19.36747 65.55808 20.41503 -5.858017      28.14023 
1 1 1 -4  28 11 o 69.24868 13.39269 72.90399       26.91953 42.31432      35.48510 114.3743       41.31683 53.62787 19.28027 84.86948 18.59375 -31.24161      26.78538 
1 1 1 -4  28 12 o 53.43773 14.12086 37.60937       27.45218 21.14764      35.52336 62.01671       43.25502 45.35474 18.47673 61.52071 21.35896 -16.16597      28.24172 
1 1 1 -4  28 13 o 173.5568 6.957570 436.7104       31.23916 466.6855      40.02812 390.0088       49.96326 182.7716 8.133417 164.3421 11.29064 18.42953       13.91514 
1 1 1 -4  28 14 o 49.68868 13.82802 20.81682       29.14676 -14.57845     37.12879 77.65752       47.05089 35.38043 16.39398 63.99694 22.27316 -28.61651      27.65604 
1 1 1 -4  28 15 o 53.67535 13.62721 34.89780       29.09905 -12.42781     37.45059 106.9989       46.22548 34.89875 16.27007 72.45195 21.86522 -37.55320      27.25442 
1 1 1 -4  28 16 o 39.00326 12.60734 2.499546       30.29444 19.08184      40.47077 -18.63337      45.68765 41.84850 18.44286 36.15802 17.19422 5.690479       25.21469 
1 1 1 -4  30 1  o 42.83821 12.48410 13.05578       24.57364 30.45172      31.73338 -13.00144      38.83794 47.81794 18.04753 37.85848 17.25392 9.959457       24.96820 
1 1 1 -4  30 2  o 73.48378 12.69205 78.73035       25.46076 46.79767      32.20013 131.9996       41.58900 55.04164 18.44459 91.92592 17.43989 -36.88428      25.38410 
1 1 1 -4  30 3  o 39.26307 12.01063 1.699714       24.28997 18.16532      30.73538 -25.69195      39.64231 42.76482 17.27158 35.76131 16.69470 7.003513       24.02125 
1 1 1 -4  30 4  o 39.47368 11.92138 -1.027511      24.83134 26.14794      32.00775 -42.10681      39.35304 46.12546 17.94037 32.82190 15.70416 13.30357       23.84276 
1 1 1 -4  30 5  o 52.18379 12.56064 40.30385       23.66843 62.43436      30.39220 6.197418       37.72980 62.59890 17.40208 41.76868 18.11756 20.83022       25.12128 
1 1 1 -4  30 6  o 51.05950 13.13893 38.52038       24.08129 49.21286      31.20772 22.78319       37.86051 55.68297 18.13828 46.43604 19.01391 9.246937       26.27786 
1 1 1 -4  30 7  o 262.0280 5.010599 948.4077       35.10799 939.2123      46.88923 960.1406       52.96440 260.9794 6.672421 263.0767 7.476844 -2.097290      10.02120 
1 1 1 -4  30 8  o 64.58667 12.70169 71.87312       24.36467 93.47734      32.31092 43.39565       37.09630 76.54881 16.18189 52.62453 19.58260 23.92427       25.40338 
1 1 1 -4  30 9  o 107.0273 9.243806 173.8848       25.87321 182.8573      33.60427 160.8223       40.54611 111.9639 11.14636 102.0906 14.74959 9.873322       18.48761 
1 1 1 -4  30 10 o 82.00766 12.33502 118.1497       26.74045 143.0351      35.48357 85.44144       40.68026 96.37511 13.67348 67.64020 20.53404 28.73492       24.67004 
1 1 1 -4  30 11 o 36.88058 11.95739 -3.111805      26.47290 -8.473850     34.64220 4.414820       41.04311 34.37024 15.89399 39.39093 17.86892 -5.020699      23.91479 
1 1 1 -4  30 12 o 39.00662 12.40749 7.423626       27.90171 20.75724      35.91603 -12.87196      44.31136 41.35464 17.80724 36.65860 17.28252 4.696045       24.81498 
1 1 1 -4  32 1  o 38.14144 11.90702 10.11924       24.39543 21.50374      29.93254 -12.40367      42.10161 40.25699 16.73572 36.02589 16.94178 4.231094       23.81403 
1 1 1 -4  32 2  o 49.90407 13.18686 47.12226       25.03213 58.47545      31.39682 27.31456       41.47092 55.57769 18.19750 44.23046 19.08990 11.34723       26.37372 
1 1 1 -4  32 3  o 38.04971 11.92230 8.257897       25.03977 22.40053      32.09038 -13.75610      40.03678 41.03634 17.21469 35.06308 16.49906 5.973259       23.84459 
1 1 1 -4  32 4  o 32.93560 10.97271 -15.68964      24.19830 -22.08872     30.68480 -5.164255      39.35353 29.52677 14.05522 36.34443 16.85384 -6.817654      21.94541 
1 1 1 -4  32 5  o 41.69936 12.33291 23.13486       24.34144 36.62441      30.36347 -1.126834      40.72050 45.87436 17.57158 37.52436 17.31017 8.349998       24.66582 
1 1 1 -3  1  1  o 1257.806 26.53089 21360.52       898.5635 21360.52      898.5635 0.000000       0.000000 1257.806 26.53089 ?        ?        ?              ?        
1 1 1 -3  1  2  f 184.2929 4.077832 457.2982       20.23585 457.2982      20.23585 0.000000       0.000000 184.2929 4.077832 ?        ?        ?              ?        
1 1 1 -3  1  3  o 800.0297 8.433786 8610.835       181.4977 8846.251      263.9120 8399.575       250.0052 810.3864 12.09438 789.6730 11.75759 20.71338       16.86757 
1 1 1 -3  1  4  o 1112.724 11.71587 16628.62       350.0443 15939.70      474.0936 17454.32       519.0268 1087.504 16.19011 1137.943 16.93892 -50.43860      23.43175 
1 1 1 -3  1  5  o 722.5082 7.617398 7027.735       148.1312 6906.915      205.8833 7157.407       213.2913 716.0767 10.67771 728.9397 10.86671 -12.86298      15.23480 
1 1 1 -3  1  6  o 1481.369 19.18011 29596.28       718.7430 29864.91      1255.952 29465.47       876.4456 1485.335 31.40257 1477.402 22.03144 7.933350       38.36021 
1 1 1 -3  1  7  o 283.0798 6.228744 1079.208       47.47804 1079.208      47.47804 0.000000       0.000000 283.0798 6.228744 ?        ?        ?              ?        
1 1 1 -3  1  8  o 933.6431 14.08669 11750.56       354.1387 0.000000      0.000000 11750.56       354.1387 ?        ?        933.6431 14.08669 ?              ?        
1 1 1 -3  1  9  o 524.5803 11.20295 3707.010       158.2442 3707.010      158.2442 0.000000       0.000000 524.5803 11.20295 ?        ?        ?              ?        
1 1 1 -3  1  10 o 633.2158 13.48842 5402.856       229.9832 5402.856      229.9832 0.000000       0.000000 633.2158 13.48842 ?        ?        ?              ?        
1 1 1 -3  1  11 o 333.7489 7.923277 1474.376       68.42028 1594.080      115.8097 1410.191       84.80256 343.9439 12.50472 323.5539 9.733723 20.39005       15.84655 
1 1 1 -3  1  12 o 172.1272 6.751582 446.6436       23.32829 475.3752      26.03252 329.5051       52.56376 187.8904 5.145508 156.3640 12.48436 31.52638       13.50316 
1 1 1 -3  1  13 o 583.9777 10.17816 4606.632       159.8005 4469.528      230.3247 4733.884       221.8950 575.5497 14.86190 592.4056 13.91057 -16.85590      20.35632 
1 1 1 -3  1  14 o 283.8474 9.330132 1106.478       68.00982 1027.568      112.6885 1151.687       85.29507 275.5865 15.18583 292.1082 10.84418 -16.52179      18.66026 
1 1 1 -3  1  15 o 421.3182 9.698383 2441.684       107.8930 2195.834      164.6551 2626.676       142.8294 402.1249 15.20655 440.5114 12.04141 -38.38647      19.39677 
1 1 1 -3  1  16 o 223.1569 9.167768 676.4450       55.05839 647.6090      77.47821 705.8630       78.25626 218.3195 13.17964 227.9943 12.74711 -9.674835      18.33554 
1 1 1 -3  1  17 o 186.1832 10.33110 472.3174       51.60027 477.1984      76.50366 468.2437       69.89140 186.9681 15.19607 185.3983 14.00022 1.569809       20.66220 
1 1 1 -3  1  18 o 240.2343 9.322617 784.5774       60.17851 773.1968      87.63414 794.7331       82.78339 238.5087 13.64538 241.9598 12.70623 -3.451035      18.64523 
1 1 1 -3  1  19 o 149.2747 14.80030 310.6569       58.37404 269.8300      87.57984 343.2932       78.30356 139.9866 23.23455 158.5628 18.33989 -18.57619      29.60061 
1 1 1 -3  1  20 o 287.7118 9.288663 1121.908       71.92145 1137.508      100.5095 1105.537       102.9593 289.7969 12.88042 285.6267 13.38700 4.170258       18.57733 
1 1 1 -3  1  21 o 74.84545 20.47783 42.92590       61.19526 -3.061182     86.20567 89.64023       86.88464 64.30374 27.63730 85.38716 30.22492 -21.08342      40.95566 
1 1 1 -3  1  22 o 98.18939 21.41348 138.7332       62.81746 158.9140      85.38995 114.9294       92.73898 104.2977 29.23140 92.08105 31.29974 12.21668       42.82696 
1 1 1 -3  1  23 o 185.8011 13.51104 477.6090       66.85513 471.7641      88.07037 485.5573       102.7020 184.8452 17.69449 186.7569 20.42297 -1.911682      27.02208 
1 1 1 -3  1  24 o 374.3055 11.15618 1930.293       112.1287 1917.951      152.7993 1944.694       165.0569 373.3228 15.20034 375.2881 16.33374 -1.965240      22.31236 
1 1 1 -3  1  25 o 347.7291 13.65163 1779.262       127.5418 1775.959      186.2617 1782.178       175.0065 346.3923 19.96972 349.0658 18.61931 -2.673492      27.30327 
1 1 1 -3  1  26 o 59.01344 20.89791 -300.5089      132.9319 -346.4342     225.4025 -276.0173      164.6046 62.79702 31.44448 55.22987 27.53424 7.567150       41.79581 
1 1 1 -3  1  27 o 292.9434 15.87320 1306.871       121.2198 1489.986      202.1662 1204.081       151.4686 304.3014 24.67296 281.5853 19.97695 22.71613       31.74639 
1 1 1 -3  1  28 o 78.21183 21.34756 112.3107       60.89105 94.79818      74.56947 147.3541       105.4849 72.75572 27.61582 83.66794 32.56132 -10.91222      42.69512 
1 1 1 -3  1  29 o 44.19298 15.08301 -34.24160      46.15672 -34.50961     53.08503 -33.41121      93.44282 38.81619 18.47979 49.56977 23.84295 -10.75359      30.16602 
1 1 1 -3  1  30 o 50.02168 16.15820 37.12650       51.07685 -15.41508     76.55435 79.28039       68.57047 43.65952 21.14236 56.38385 24.44076 -12.72433      32.31641 
1 1 1 -3  3  1  o 326.0770 7.034442 1431.801       61.76369 0.000000      0.000000 1431.801       61.76369 ?        ?        326.0770 7.034442 ?              ?        
1 1 1 -3  3  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  3  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  6  o 301.6334 4.955379 1225.155       40.24758 1225.155      40.24758 0.000000       0.000000 301.6334 4.955379 ?        ?        ?              ?        
1 1 1 -3  3  7  o 766.3296 8.168894 7908.470       168.4752 7742.072      233.7175 8088.463       243.0780 757.9510 11.45161 774.7081 11.65264 -16.75708      16.33779 
1 1 1 -3  3  8  o 411.5200 4.595065 2275.745       50.85894 2181.422      69.91290 2381.769       74.12236 402.4824 6.451000 420.5576 6.545462 -18.07526      9.190129 
1 1 1 -3  3  9  o 739.8332 7.912891 7373.903       157.6324 7375.213      223.5695 7372.608       222.2877 739.8972 11.22168 739.7692 11.15927 0.1280518      15.82578 
1 1 1 -3  3  10 o 1029.681 10.93618 14271.74       302.9064 13879.92      417.1143 14708.92       440.5985 1014.765 15.26533 1044.598 15.66429 -29.83270      21.87236 
1 1 1 -3  3  11 o 888.0623 9.494720 10618.63       226.9162 10374.75      314.5491 10883.28       327.6687 877.4454 13.31328 898.6791 13.54088 -21.23376      18.98944 
1 1 1 -3  3  12 o 547.1085 7.599572 4018.848       104.7780 3992.760      127.2252 4073.845       184.7206 544.4351 8.678479 549.7818 12.47790 -5.346680      15.19914 
1 1 1 -3  3  13 o 808.3443 10.84485 8715.133       218.4299 8545.491      261.8572 9103.187       396.0450 795.9839 12.21735 820.7047 17.92149 -24.72083      21.68971 
1 1 1 -3  3  14 o 537.5743 7.706753 3926.936       105.2712 3975.560      129.4837 3832.136       180.7999 542.8121 8.858947 532.3364 12.61330 10.47571       15.41351 
1 1 1 -3  3  15 o 271.8166 5.903233 1009.179       37.23474 1020.559      43.02361 975.2217       74.32131 275.1188 5.807686 268.5145 10.27927 6.604309       11.80647 
1 1 1 -3  3  16 o 162.2626 7.900838 379.6745       25.75070 392.2703      28.48089 323.2641       60.27259 170.5045 6.203465 154.0208 14.53306 16.48370       15.80168 
1 1 1 -3  3  17 o 171.6841 8.274754 430.7270       30.22712 453.0251      34.16753 350.4354       64.83577 183.1613 6.927818 160.2069 15.02969 22.95435       16.54951 
1 1 1 -3  3  18 o 224.9750 7.194669 687.0955       37.29334 689.0293      42.85786 681.0654       75.68208 225.9383 7.044613 224.0117 12.54697 1.926636       14.38934 
1 1 1 -3  3  19 o 67.09724 15.09382 56.03878       25.49513 54.17956      28.10909 64.66351       60.54179 62.00378 16.53347 72.19070 25.25743 -10.18693      30.18764 
1 1 1 -3  3  20 o 169.6605 8.110484 381.9706       30.88204 376.1663      34.93140 402.7420       66.08024 166.9760 7.769240 172.3449 14.23934 -5.368835      16.22097 
1 1 1 -3  3  21 o 272.6300 7.235031 1043.459       46.13928 1087.185      53.98252 924.9209       88.88161 283.9109 7.061350 261.3491 12.63012 22.56183       14.47006 
1 1 1 -3  3  22 o 153.7048 11.08353 384.0392       33.20044 422.9482      37.29550 235.4753       72.87659 176.9033 7.829557 130.5064 20.73829 46.39688       22.16706 
1 1 1 -3  3  23 o 216.4880 8.527875 676.6374       41.48230 712.2911      47.83793 568.5634       83.28773 229.4368 7.743297 203.5392 15.19671 25.89760       17.05575 
1 1 1 -3  3  24 o 222.3966 10.19328 667.1864       47.34446 659.6544      52.34167 701.0775       111.0287 220.4697 8.816885 224.3234 18.38135 -3.853668      20.38655 
1 1 1 -3  3  25 o 372.4996 10.20435 2043.092       84.27966 2038.951      95.72304 2057.371       177.7553 381.4023 9.320726 363.5968 18.15596 17.80551       20.40869 
1 1 1 -3  3  26 o 46.15138 16.39797 -81.99292      52.24822 -78.32947     55.97549 -106.7854      145.6172 35.87209 17.52901 56.43067 27.71836 -20.55859      32.79594 
1 1 1 -3  3  27 f 172.3684 14.05214 424.2278       48.63926 411.7972      53.23904 486.9828       119.6212 171.3884 11.53627 173.3483 25.62743 -1.959885      28.10428 
1 1 1 -3  3  28 o 102.5352 17.98879 188.7903       42.32708 189.7313      46.65820 184.4161       100.5975 112.8434 15.35566 92.22698 32.53598 20.61641       35.97758 
1 1 1 -3  3  29 o 53.39200 16.08834 42.49490       39.00264 52.63956      43.53953 1.286023       87.75272 55.18958 21.06489 51.59441 24.32302 3.595169       32.17668 
1 1 1 -3  3  30 o 69.15372 14.52684 114.7613       33.28236 130.2977      37.51178 57.28360       72.15105 86.02780 16.79636 52.27965 23.70650 33.74815       29.05367 
1 1 1 -3  5  1  o 963.6705 14.39744 12515.90       373.5917 12515.90      373.5917 0.000000       0.000000 963.6705 14.39744 ?        ?        ?              ?        
1 1 1 -3  5  2  o 732.2659 7.738425 7223.341       152.5784 7253.947      216.7323 7193.268       214.8371 733.8026 10.96885 730.7291 10.91866 3.073486       15.47685 
1 1 1 -3  5  3  o 294.3327 3.228672 1166.418       25.58599 1171.422      36.47579 1161.571       35.89922 294.9539 4.592690 293.7115 4.539215 1.242462       6.457343 
1 1 1 -3  5  4  o 510.0017 5.434647 3501.388       74.59746 3562.062      107.4755 3444.985       103.6234 514.2606 7.761452 505.7428 7.609297 8.517761       10.86929 
1 1 1 -3  5  5  o 174.6580 3.252631 410.7401       15.29701 0.000000      0.000000 410.7401       15.29701 ?        ?        174.6580 3.252631 ?              ?        
1 1 1 -3  5  6  o 114.7070 2.621909 178.0071       7.949225 172.6116      12.39663 181.7750       10.35946 113.2226 4.066185 116.1913 3.311158 -2.968719      5.243819 
1 1 1 -3  5  7  o 366.1117 4.068447 1803.738       40.06814 1829.887      58.13974 1780.083       55.29690 368.6361 5.857223 363.5872 5.648183 5.048920       8.136893 
1 1 1 -3  5  8  o 912.6316 9.676503 11222.79       237.7759 11136.10      333.9057 11311.97       338.6768 909.0593 13.64106 916.2039 13.72808 -7.144653      19.35301 
1 1 1 -3  5  9  o 639.4438 9.735315 5507.460       167.6239 5507.460      167.6239 0.000000       0.000000 639.4438 9.735315 ?        ?        ?              ?        
1 1 1 -3  5  10 o 991.1566 10.51965 13189.63       279.9177 12600.99      378.5882 13899.46       415.7422 966.8864 14.54147 1015.427 15.20519 -48.54053      21.03930 
1 1 1 -3  5  11 o 399.0090 4.574179 2142.082       49.12179 2061.630      68.34263 2228.062       70.65233 391.2654 6.486894 406.7526 6.450788 -15.48715      9.148357 
1 1 1 -3  5  12 o 511.8141 5.697940 3528.318       78.51904 3465.356      110.3388 3592.913       111.7602 507.1882 8.079337 516.4401 8.036815 -9.251862      11.39588 
1 1 1 -3  5  13 o 233.3878 3.495933 733.4440       21.96561 714.4213      30.78395 753.1751       31.35197 230.3054 4.964058 236.4702 4.923852 -6.164825      6.991866 
1 1 1 -3  5  14 o 364.5942 4.479449 1792.008       43.95907 1726.772      61.91548 1858.318       62.42265 357.8964 6.424784 371.2921 6.243717 -13.39563      8.958898 
1 1 1 -3  5  15 o 299.9135 5.451096 1181.816       39.02809 1145.672      45.31939 1285.563       76.78128 291.4709 5.774380 308.3561 9.247396 -16.88513      10.90219 
1 1 1 -3  5  16 o 154.0235 6.482783 331.0775       21.55325 338.1029      24.25714 304.7296       46.97592 158.2949 5.691010 149.7520 11.64982 8.542877       12.96557 
1 1 1 -3  5  17 o 132.7911 8.052341 244.2672       21.36621 246.7596      23.45262 232.0992       51.81900 135.2002 6.442146 130.3819 14.76007 4.818329       16.10468 
1 1 1 -3  5  18 o 138.6014 9.224353 272.3051       23.63274 276.9814      25.55650 244.7057       62.08771 143.2893 6.623753 133.9134 17.21861 9.375885       18.44871 
1 1 1 -3  5  19 o 119.7444 9.448478 190.8076       23.75694 188.6430      26.28601 200.4603       55.50899 118.2012 8.258845 121.2876 16.99666 -3.086388      18.89696 
1 1 1 -3  5  20 o 264.5316 6.640415 957.6459       42.34835 974.0491      50.04545 916.2811       79.47235 268.7565 6.915479 260.3068 11.33828 8.449738       13.28083 
1 1 1 -3  5  21 o 137.8909 9.997987 248.6001       29.24217 243.0244      32.37169 273.3270       68.17065 134.1500 8.961716 141.6317 17.87531 -7.481689      19.99597 
1 1 1 -3  5  22 o 116.3469 11.25180 147.1399       29.53993 120.5851      32.70961 264.5791       68.78753 94.10573 12.90850 138.5881 18.43319 -44.48238      22.50360 
1 1 1 -3  5  23 o 405.9491 7.525702 2278.346       74.17168 2331.886      88.23956 2149.431       136.9239 415.0828 7.894874 396.8154 12.81467 18.26736       15.05140 
1 1 1 -3  5  24 o 253.9335 9.430149 805.2738       51.26397 758.6082      56.53072 1021.288       121.6262 236.3898 8.881213 271.4771 16.63836 -35.08730      18.86030 
1 1 1 -3  5  25 o 104.6710 23.20260 105.8032       59.84462 70.05296      65.66289 281.1373       145.4164 74.26958 26.27716 135.0724 38.24857 -60.80281      46.40520 
1 1 1 -3  5  26 o 140.1090 18.58548 318.0310       52.37062 325.4758      58.10468 285.7981       120.9025 152.2575 14.17258 127.9604 34.36304 24.29713       37.17096 
1 1 1 -3  5  27 o 170.4698 14.02754 443.0013       48.82476 447.5926      54.24129 423.3958       112.0861 178.9561 11.25641 161.9835 25.69788 16.97261       28.05509 
1 1 1 -3  5  28 o 90.08121 17.88073 155.5775       44.48656 164.9062      52.40129 131.5021       84.18175 100.1284 20.13369 80.03398 29.55531 20.09445       35.76146 
1 1 1 -3  5  29 o 53.24368 16.06552 46.12705       42.94007 67.23290      49.32784 -19.90111      87.24795 58.62750 22.41083 47.85986 23.02515 10.76764       32.13103 
1 1 1 -3  7  1  o 902.3265 9.542083 10975.99       231.8407 10963.04      327.5179 10989.00       328.2277 901.7934 13.48791 902.8597 13.50117 -1.066345      19.08417 
1 1 1 -3  7  2  o 939.4004 9.924773 11896.58       251.0271 11985.99      357.7124 11809.82       352.3601 942.8727 14.08956 935.9281 13.98173 6.944580       19.84955 
1 1 1 -3  7  3  o 638.7424 6.773519 5495.802       116.4905 5453.097      163.5255 5539.804       165.9869 636.2248 9.545344 641.2601 9.612941 -5.035339      13.54704 
1 1 1 -3  7  4  o 695.0003 7.361428 6501.050       137.6602 6353.053      190.3049 6663.488       199.3734 686.7166 10.29175 703.2840 10.52818 -16.56738      14.72286 
1 1 1 -3  7  5  o 507.9742 5.427309 3474.846       74.23213 3451.972      104.4056 3498.230       105.5641 506.2841 7.658544 509.6643 7.692168 -3.380249      10.85462 
1 1 1 -3  7  6  o 795.9604 8.432039 8534.392       180.7051 8601.464      257.5907 8469.397       253.5679 799.0374 11.97236 792.8835 11.87686 6.153809       16.86408 
1 1 1 -3  7  7  o 312.1514 5.078619 1312.022       42.68686 1312.022      42.68686 0.000000       0.000000 312.1514 5.078619 ?        ?        ?              ?        
1 1 1 -3  7  8  f 194.0303 2.778531 507.1881       14.39194 504.7331      21.80445 509.0833       19.15795 193.6129 4.182418 194.4476 3.659005 -0.8346558     5.557062 
1 1 1 -3  7  9  f 351.6791 5.557951 1665.383       52.63136 0.000000      0.000000 1665.383       52.63136 ?        ?        351.6791 5.557951 ?              ?        
1 1 1 -3  7  10 o 628.2816 6.742338 5317.544       114.0609 5321.455      161.9242 5313.693       160.6958 628.5096 9.567895 628.0535 9.502204 0.4560547      13.48468 
1 1 1 -3  7  11 o 845.5167 9.001120 9632.410       204.8369 9443.807      284.5594 9835.238       295.0942 836.9420 12.62682 854.0916 12.83136 -17.14960      18.00224 
1 1 1 -3  7  12 o 951.4619 10.14096 12228.81       259.8070 12173.87      366.6497 12284.23       368.2004 949.3147 14.34359 953.6090 14.33939 -4.294312      20.28192 
1 1 1 -3  7  13 o 198.0326 3.174674 528.4398       16.92017 524.2182      24.25887 532.4391       23.61172 197.2600 4.567180 198.8051 4.410793 -1.545044      6.349348 
1 1 1 -3  7  14 o 38.49723 8.575727 19.84783       9.995065 22.67688      13.63128 16.55805       14.69939 40.51841 11.78554 36.47606 12.46088 4.042343       17.15145 
1 1 1 -3  7  15 o 95.40578 4.944146 119.3067       12.49222 103.5247      15.99724 143.9709       19.99851 87.56559 6.784663 103.2460 7.193516 -15.68037      9.888292 
1 1 1 -3  7  16 o 254.8214 5.666466 876.0169       38.88047 876.0169      38.88047 0.000000       0.000000 254.8214 5.666466 ?        ?        ?              ?        
1 1 1 -3  7  17 o 147.5911 8.009795 350.4547       22.27448 380.1787      24.69274 220.6101       51.60931 167.9132 5.461361 127.2689 15.05991 40.64429       16.01959 
1 1 1 -3  7  18 o 84.54518 11.84450 140.3751       20.24563 161.7025      22.22533 36.40462       49.07208 109.4619 7.540531 59.62851 22.45683 49.83335       23.68901 
1 1 1 -3  7  19 o 182.1819 6.984294 449.8188       27.20930 450.7292      30.36971 446.1147       61.25679 182.8453 6.168413 181.5186 12.53284 1.326614       13.96859 
1 1 1 -3  7  20 o 271.7889 6.212004 968.2518       38.94060 942.3049      44.45056 1053.882       80.75058 264.3723 6.244215 279.2054 10.74084 -14.83310      12.42401 
1 1 1 -3  7  21 o 261.4236 6.599022 967.0181       41.04436 1021.368      48.67243 833.2307       76.36465 275.0674 6.571438 247.7797 11.44572 27.28773       13.19804 
1 1 1 -3  7  22 o 292.4778 6.806279 1162.397       46.55135 1164.632      53.87997 1155.818       92.45147 293.5700 6.816043 291.3856 11.78318 2.184418       13.61256 
1 1 1 -3  7  23 o 82.36363 16.47159 90.49815       30.45645 88.14784      33.08241 103.5645       78.00314 78.66039 16.15976 86.06687 28.70742 -7.406479      32.94319 
1 1 1 -3  7  24 o 62.70294 16.53541 47.92476       37.50097 70.04620      40.60741 -80.28978      97.76139 69.73839 20.35787 55.66750 26.06216 14.07089       33.07082 
1 1 1 -3  7  25 o 211.4023 32.57605 692.8981       149.2137 725.7147      340.0540 685.0728       166.0535 203.4774 58.77260 219.3272 28.11721 -15.84984      65.15210 
1 1 1 -3  7  26 o 102.5215 17.76617 211.1865       40.83070 226.9454      43.38157 88.88365       120.8538 126.6331 12.72257 78.41001 33.17656 48.22305       35.53234 
1 1 1 -3  7  27 o 161.4958 12.81992 390.4883       42.55675 387.3990      47.15641 404.0474       98.79118 165.9901 10.55055 157.0015 23.36851 8.988678       25.63984 
1 1 1 -3  7  28 o 51.29353 16.29358 17.06464       40.15697 15.35087      45.26190 23.40234       87.04060 45.98621 19.89531 56.60085 25.80890 -10.61464      32.58716 
1 1 1 -3  7  29 o 50.37618 15.62816 42.88523       36.22924 42.14558      40.29583 46.00495       82.75654 48.72398 19.74186 52.02839 24.23255 -3.304409      31.25632 
1 1 1 -3  9  1  o 569.8342 6.078867 4373.342       93.27258 4365.955      131.7899 4380.755       132.0252 569.3521 8.596421 570.3163 8.597211 -0.9642334     12.15773 
1 1 1 -3  9  2  o 279.6603 3.183167 1052.674       23.96303 1068.609      34.40364 1037.659       33.39648 281.7149 4.535354 277.6058 4.467749 4.109131       6.366335 
1 1 1 -3  9  3  o 202.5966 2.597663 552.6104       14.16367 553.7917      20.36952 551.5046       19.70777 202.8060 3.730067 202.3872 3.616355 0.4187622      5.195327 
1 1 1 -3  9  4  o 543.6282 5.808288 3976.779       84.96895 3888.990      117.6604 4072.458       122.8350 537.3654 8.131623 549.8911 8.295876 -12.52570      11.61658 
1 1 1 -3  9  5  o 660.6855 7.026789 5873.669       124.9097 5739.495      172.5859 6021.266       181.0132 652.7734 9.818824 668.5975 10.05454 -15.82410      14.05358 
1 1 1 -3  9  6  o 475.0919 5.131548 3039.759       65.64536 3027.910      92.55315 3051.754       93.12257 474.1604 7.249074 476.0234 7.265128 -1.862976      10.26310 
1 1 1 -3  9  7  o 327.5803 3.727100 1444.501       32.86824 1465.137      47.08725 1424.892       45.90087 329.8610 5.301381 325.2996 5.240273 4.561371       7.454200 
1 1 1 -3  9  8  o 338.9712 3.881967 1547.234       35.43150 1545.691      50.25137 1548.759       49.96526 338.8030 5.508296 339.1394 5.471502 -0.3364258     7.763934 
1 1 1 -3  9  9  o 556.8365 8.538682 4176.789       128.0271 4176.789      128.0271 0.000000       0.000000 556.8365 8.538682 ?        ?        ?              ?        
1 1 1 -3  9  10 o 255.5129 3.278821 880.3882       22.51975 854.2956      32.52058 904.4277       31.21500 251.8685 4.795138 259.1574 4.473179 -7.288910      6.557643 
1 1 1 -3  9  11 o 194.7994 3.031101 513.4729       15.82070 477.9846      23.01464 545.2667       21.78377 188.3839 4.537086 201.2148 4.020589 -12.83089      6.062201 
1 1 1 -3  9  12 o 249.5028 4.778708 838.7106       32.10475 838.7106      32.10475 0.000000       0.000000 249.5028 4.778708 ?        ?        ?              ?        
1 1 1 -3  9  13 o 192.3991 3.121567 499.2771       16.15799 482.9287      23.06419 515.0342       22.64332 189.2988 4.524879 195.4994 4.301416 -6.200531      6.243133 
1 1 1 -3  9  14 o 108.7921 3.854111 158.0994       11.23580 141.5375      15.07219 178.8156       16.85681 102.4403 5.464146 115.1440 5.436892 -12.70375      7.708222 
1 1 1 -3  9  15 o 134.5965 3.723183 243.5186       13.47147 228.7846      18.44344 260.3697       19.72405 130.2467 5.258861 138.9463 5.271883 -8.699524      7.446366 
1 1 1 -3  9  16 o 324.3906 5.808857 1419.186       50.73906 0.000000      0.000000 1419.186       50.73906 ?        ?        324.3906 5.808857 ?              ?        
1 1 1 -3  9  17 o 352.5821 4.585585 1676.669       43.51423 1676.507      62.50866 1676.820       60.61197 352.5559 6.584590 352.6082 6.383848 -0.5230713E-01 9.171169 
1 1 1 -3  9  18 o 331.9249 4.520323 1485.616       40.39536 1451.818      56.92434 1519.902       57.33320 328.1180 6.442947 335.7318 6.342060 -7.613831      9.040647 
1 1 1 -3  9  19 o 196.3795 6.713951 582.8884       29.91435 656.7468      35.45605 400.4422       55.72599 220.7269 5.965566 172.0320 12.02999 48.69485       13.42790 
1 1 1 -3  9  20 o 137.1223 8.139871 231.7232       23.44431 219.4212      25.71021 292.4315       57.11380 127.5114 7.488124 146.7331 14.45538 -19.22169      16.27974 
1 1 1 -3  9  21 f 212.0036 6.631406 566.7294       30.91187 538.4938      34.43557 683.9006       70.14853 199.7008 6.403894 224.3063 11.61432 -24.60556      13.26281 
1 1 1 -3  9  22 o 231.6199 7.035302 689.9702       35.63747 664.3620      39.72949 795.4263       80.62325 221.7277 6.654413 241.5122 12.39761 -19.78452      14.07060 
1 1 1 -3  9  23 o 140.1147 15.83854 360.6821       37.90397 396.5797      41.54609 182.4500       92.57440 170.8931 9.028640 109.3364 30.36316 61.55668       31.67708 
1 1 1 -3  9  24 o 42.30779 15.31341 -160.7383      43.57900 -170.3605     47.21047 -105.3127      113.3070 25.91913 13.14766 58.69645 27.66119 -32.77732      30.62683 
1 1 1 -3  9  25 o 104.9347 19.39357 151.0420       39.09977 142.9066      41.33686 220.1593       120.4877 100.2563 15.31237 109.6130 35.63670 -9.356659      38.78715 
1 1 1 -3  9  26 o 70.75727 16.41910 87.28667       36.63881 104.3563      38.89785 -46.99802      109.1003 82.83017 17.95795 58.68437 27.49290 24.14580       32.83820 
1 1 1 -3  9  27 o 56.68322 16.45291 41.92587       35.17897 46.40262      38.67459 20.46572       84.67606 55.31637 20.09363 58.05008 26.05836 -2.733704      32.90581 
1 1 1 -3  9  28 o 59.59496 16.96499 62.39410       36.77317 58.42247      41.04324 78.55721       82.79797 57.13583 20.70818 62.05410 26.87777 -4.918270      33.92998 
1 1 1 -3  11 1  o 382.9680 4.215393 1973.865       43.45002 2009.491      62.58213 1940.711       60.37262 386.3018 6.016449 379.6343 5.905969 6.667419       8.430785 
1 1 1 -3  11 2  o 266.7643 3.162520 957.6125       22.70878 936.4500      31.60999 980.1840       32.64516 263.7205 4.451405 269.8081 4.493455 -6.087585      6.325041 
1 1 1 -3  11 3  o 372.2579 4.127954 1865.987       41.37698 1856.659      58.39227 1875.395       58.64027 371.3235 5.840090 373.1924 5.835524 -1.868835      8.255907 
1 1 1 -3  11 4  o 964.9907 10.21415 12548.94       265.3743 12662.15      378.7632 12439.78       371.9221 969.2603 14.51256 960.7213 14.37710 8.539001       20.42830 
1 1 1 -3  11 5  o 534.0445 5.739326 3840.904       82.52447 3868.463      117.6510 3814.211       115.7858 535.9292 8.152761 532.1598 8.080344 3.769409       11.47865 
1 1 1 -3  11 6  o 455.9393 4.954036 2798.207       60.79336 2846.741      87.55389 2753.022       84.47817 459.7535 7.072403 452.1250 6.939091 7.628479       9.908072 
1 1 1 -3  11 7  o 546.7157 5.888195 4026.408       86.68151 4022.580      122.4596 4030.252       122.7131 546.4554 8.322519 546.9760 8.331807 -0.5205078     11.77639 
1 1 1 -3  11 8  o 1035.736 10.97976 14476.62       306.1346 14677.64      439.0054 14286.33       427.1188 1042.714 15.63585 1028.758 15.41885 13.95520       21.95952 
1 1 1 -3  11 9  o 346.2015 4.013018 1610.025       37.33799 1544.872      50.91944 1685.803       54.91435 338.6500 5.584049 353.7531 5.765038 -15.10315      8.026036 
1 1 1 -3  11 10 o 171.0963 3.221532 396.7634       14.73693 369.2353      21.69838 420.3339       20.07814 165.5465 4.867702 176.6460 4.221202 -11.09958      6.443063 
1 1 1 -3  11 11 o 321.5216 3.893934 1390.427       33.58489 1426.839      49.97777 1360.445       45.35103 325.3376 5.705047 317.7056 5.301257 7.632019       7.787868 
1 1 1 -3  11 12 o 226.8902 3.355108 694.9008       20.28816 686.4872      30.88749 701.2852       26.90632 225.6615 5.083253 228.1188 4.380360 -2.457321      6.710217 
1 1 1 -3  11 13 o 194.5536 3.366895 508.0574       17.17688 520.5182      27.79149 500.3551       21.84996 196.4426 5.254033 192.6645 4.211778 3.778091       6.733791 
1 1 1 -3  11 14 o 308.6965 5.600090 1285.668       46.54897 1285.668      46.54897 0.000000       0.000000 308.6965 5.600090 ?        ?        ?              ?        
1 1 1 -3  11 15 o 85.00805 5.251002 98.41438       11.89805 90.08551      17.65703 105.3416       16.10291 81.66463 8.029717 88.35146 6.768733 -6.686829      10.50200 
1 1 1 -3  11 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  11 17 o 159.6811 4.048790 342.6099       17.34344 331.5872      23.38247 356.0909       25.85871 156.8419 5.536624 162.5202 5.909027 -5.678360      8.097580 
1 1 1 -3  11 18 o 54.77779 10.20664 41.05966       15.23956 33.47052      20.08799 51.34986       23.39117 49.21299 14.30487 60.34260 14.56270 -11.12961      20.41327 
1 1 1 -3  11 19 o 164.3528 4.695682 362.3060       20.42174 353.9598      26.39028 374.7639       32.24216 162.0300 6.048745 166.6756 7.184038 -4.645676      9.391364 
1 1 1 -3  11 20 o 248.7143 4.449045 834.9111       29.70375 833.9359      40.44144 836.0534       43.77072 248.5817 6.041907 248.8468 6.532332 -0.2650757     8.898089 
1 1 1 -3  11 21 o 40.42173 12.79049 -8.003155      21.25426 -9.211910     23.21627 -1.744868      52.82641 30.79225 13.74593 50.05122 21.57396 -19.25897      25.58097 
1 1 1 -3  11 22 o 104.7923 15.42860 187.5556       30.84267 200.6565      33.40388 111.8182       80.31590 121.4225 10.21679 88.16219 29.11672 33.26030       30.85719 
1 1 1 -3  11 23 o 151.3844 14.33565 384.8914       38.53083 395.8663      42.16370 329.3109       94.88555 168.1674 9.311370 134.6014 27.11719 33.56593       28.67130 
1 1 1 -3  11 24 o 39.10740 14.18788 -125.8868      40.25985 -128.6595     43.48008 -109.2213      106.5988 26.32742 13.26655 51.88738 25.08352 -25.55997      28.37577 
1 1 1 -3  11 25 f 80.26633 17.49027 94.49873       32.55486 89.78176      35.02568 124.4372       88.24102 76.70036 17.36344 83.83230 30.36691 -7.131943      34.98054 
1 1 1 -3  11 26 o 42.48846 13.98826 -12.09620      31.88240 -2.459527     34.94755 -59.91588      77.84963 38.56879 17.06056 46.40813 22.17257 -7.839336      27.97652 
1 1 1 -3  11 27 o 72.91348 16.98974 86.22359       32.55153 74.25832      36.17538 137.1294       74.61659 65.98390 19.20134 79.84305 28.03415 -13.85915      33.97948 
1 1 1 -3  11 28 o 43.06905 13.42414 15.11008       33.83978 43.23167      38.39670 -82.71865      71.61552 48.89069 19.45526 37.24741 18.50199 11.64329       26.84829 
1 1 1 -3  13 1  o 269.1979 3.267828 975.8307       23.68642 978.7592      33.65739 972.9572       33.34018 269.5979 4.636396 268.7979 4.606369 0.7999268      6.535656 
1 1 1 -3  13 2  o 226.6864 2.980454 691.4325       18.18435 709.3380      26.19946 674.7889       25.25941 229.5157 4.239323 223.8570 4.190533 5.658722       5.960908 
1 1 1 -3  13 3  o 653.5837 6.987186 5755.715       122.9449 5817.375      175.8562 5696.763       171.9503 657.0031 9.940467 650.1643 9.821923 6.838745       13.97437 
1 1 1 -3  13 4  o 455.7003 4.981145 2797.426       61.12075 2782.393      86.29936 2812.556       86.57690 454.4716 7.052083 456.9289 7.036716 -2.457306      9.962291 
1 1 1 -3  13 5  o 562.6647 6.065708 4261.033       91.79515 4380.851      133.6919 4154.163       126.2623 570.1294 8.708598 555.2001 8.445803 14.92932       12.13142 
1 1 1 -3  13 6  o 462.2960 5.053235 2879.675       62.89837 2850.487      88.28195 2909.766       89.63697 459.9182 7.128661 464.6737 7.164001 -4.755493      10.10647 
1 1 1 -3  13 7  o 291.2599 3.495918 1142.794       27.41007 1146.334      39.24627 1139.423       38.29848 291.6982 4.996677 290.8217 4.890704 0.8764954      6.991836 
1 1 1 -3  13 8  o 282.3479 3.483512 1068.639       26.40129 1007.500      35.65348 1142.864       39.28413 273.4558 4.842073 291.2399 5.009367 -17.78409      6.967025 
1 1 1 -3  13 9  o 128.6923 3.730537 222.5762       12.90784 236.9791      18.87320 209.9186       17.69282 132.5919 5.286220 124.7928 5.265313 7.799103       7.461075 
1 1 1 -3  13 10 o 165.8632 4.932773 370.8375       22.03051 0.000000      0.000000 370.8375       22.03051 ?        ?        165.8632 4.932773 ?              ?        
1 1 1 -3  13 11 o 279.6520 3.667186 1054.774       27.60690 1023.649      38.94383 1086.214       39.14101 275.4988 5.249712 283.8051 5.121868 -8.306305      7.334372 
1 1 1 -3  13 12 o 47.56435 8.905910 33.90238       11.64783 20.14687      20.36007 40.59474       14.20139 41.25499 14.62831 53.87373 10.16236 -12.61874      17.81182 
1 1 1 -3  13 13 o 126.2619 4.270734 213.9960       13.53046 218.0792      24.07698 212.1112       16.35774 127.0906 7.035669 125.4332 4.843144 1.657372       8.541469 
1 1 1 -3  13 14 o 164.9442 4.019135 377.8578       17.04168 326.1490      27.54139 409.9383       21.69326 155.4826 6.578406 174.4057 4.619347 -18.92314      8.038270 
1 1 1 -3  13 15 o 227.5422 4.913487 697.7811       30.10476 0.000000      0.000000 697.7811       30.10476 ?        ?        227.5422 4.913487 ?              ?        
1 1 1 -3  13 16 o 516.2909 5.802138 3594.311       80.61707 3502.084      111.7634 3694.343       116.3972 509.4019 8.148088 523.1799 8.262438 -13.77792      11.60428 
1 1 1 -3  13 17 o 439.2567 5.148834 2582.749       60.54878 2781.225      91.77049 2429.743       80.57543 454.0623 7.505925 424.4512 7.050039 29.61115       10.29767 
1 1 1 -3  13 18 o 343.0414 4.498123 1586.555       41.52819 1599.259      59.78745 1574.711       57.72622 344.3602 6.447831 341.7226 6.273589 2.637634       8.996245 
1 1 1 -3  13 19 f 146.7672 4.946371 290.2418       19.44593 284.2353      26.07845 297.7642       29.18432 145.0825 6.675491 148.4518 7.300971 -3.369308      9.892742 
1 1 1 -3  13 20 o 87.87066 8.335602 106.9731       19.24376 115.0847      25.23353 95.69751       29.75044 92.05048 10.18049 83.69083 13.20177 8.359650       16.67120 
1 1 1 -3  13 21 o 43.27837 12.66475 2.338297       24.02665 -11.68250     30.51280 25.21859       38.97863 35.24225 15.74364 51.31448 19.84242 -16.07223      25.32951 
1 1 1 -3  13 22 o 40.40344 12.68233 -8.115892      27.41975 -0.6943160    35.56486 -18.99246      43.05454 40.57904 17.59581 40.22784 18.26893 0.3512001      25.36467 
1 1 1 -3  13 23 o 48.60633 16.44602 -58.21498      45.79501 -49.57148     50.51468 -98.09392      108.5038 39.58779 18.59775 57.62487 27.12950 -18.03709      32.89203 
1 1 1 -3  13 24 o 197.2275 9.424455 542.0557       38.99507 535.4970      43.24254 570.6078       90.22370 197.3831 8.136129 197.0719 17.00249 0.3112335      18.84891 
1 1 1 -3  13 25 o 59.42973 16.55775 36.69401       30.34589 27.99358      33.14571 81.76473       75.44044 47.81611 18.34860 71.04334 27.56748 -23.22723      33.11551 
1 1 1 -3  13 26 o 201.7152 9.970379 652.4850       40.85542 686.3284      45.87927 522.8436       89.79485 222.2759 7.665504 181.1544 18.40853 41.12146       19.94076 
1 1 1 -3  13 27 o 108.5341 15.12753 190.8993       33.81334 172.4099      37.19151 279.0307       81.19842 105.6680 13.07124 111.4002 27.28574 -5.732208      30.25506 
1 1 1 -3  15 1  o 229.7640 3.156448 707.3515       19.47113 763.5676      28.91236 660.6945       26.33976 238.0712 4.510176 221.4568 4.417121 16.61432       6.312895 
1 1 1 -3  15 2  o 242.9027 3.245992 794.1666       21.22078 825.0278      30.52992 765.3190       29.51713 247.4644 4.581730 238.3409 4.599305 9.123505       6.491984 
1 1 1 -3  15 3  o 113.0909 3.710306 172.5941       11.26726 188.1943      15.98631 157.1953       15.88282 118.1804 5.023651 108.0014 5.461540 10.17906       7.420612 
1 1 1 -3  15 4  o 252.6356 3.327187 859.5685       22.62457 873.8613      32.55453 846.2162       31.46522 254.6641 4.747448 250.6071 4.662877 4.056992       6.654373 
1 1 1 -3  15 5  o 385.3437 4.384983 2002.449       45.49354 2003.234      64.83653 2001.688       63.84998 385.4133 6.247549 385.2741 6.154709 0.1392517      8.769966 
1 1 1 -3  15 6  o 62.92949 6.799716 53.29413       11.46627 56.12421      17.24489 51.05145       15.35129 64.40981 9.943175 61.44917 9.277812 2.960640       13.59943 
1 1 1 -3  15 7  o 173.1887 4.773731 404.2934       22.26183 404.2934      22.26183 0.000000       0.000000 173.1887 4.773731 ?        ?        ?              ?        
1 1 1 -3  15 8  o 558.2241 6.101751 4213.562       91.71545 4226.010      130.0444 4201.243       129.3687 559.0416 8.639015 557.4066 8.619331 1.635010       12.20350 
1 1 1 -3  15 9  o 167.7719 3.588595 379.3048       16.19685 402.8605      23.23973 357.0560       22.58587 172.8374 4.993555 162.7065 5.155237 10.13100       7.177190 
1 1 1 -3  15 10 o 208.1786 4.854380 584.3490       27.21154 584.3490      27.21154 0.000000       0.000000 208.1786 4.854380 ?        ?        ?              ?        
1 1 1 -3  15 11 o 443.7153 5.060751 2654.870       60.41004 2733.777      87.72965 2583.718       83.30720 449.9626 7.240801 437.4681 7.072171 12.49451       10.12150 
1 1 1 -3  15 12 o 111.3930 5.233820 168.6271       15.58828 149.1208      22.39527 186.9595       21.71098 105.0808 7.914977 117.7052 6.850155 -12.62444      10.46764 
1 1 1 -3  15 13 o 109.4525 5.380637 167.6331       14.85703 143.4559      24.91199 180.9790       18.50877 103.0498 8.977967 115.8553 5.933054 -12.80551      10.76127 
1 1 1 -3  15 14 o 366.3168 4.516459 1809.774       44.46963 1806.520      64.82320 1812.667       61.11923 365.9875 6.577802 366.6461 6.190810 -0.6585999     9.032918 
1 1 1 -3  15 15 o 131.1185 5.553751 249.7575       18.04733 176.6469      29.24771 294.7103       22.93403 114.3688 9.497316 147.8682 5.759998 -33.49938      11.10750 
1 1 1 -3  15 16 o 393.1261 7.026739 2084.467       74.38222 2084.467      74.38222 0.000000       0.000000 393.1261 7.026739 ?        ?        ?              ?        
1 1 1 -3  15 17 o 68.25243 9.979688 59.22892       17.87329 96.79110      29.69395 37.88818       22.38193 84.36186 13.07189 52.14298 15.08318 32.21888       19.95938 
1 1 1 -3  15 18 o 160.8237 5.052192 347.4541       21.54238 361.2920      33.82776 338.0136       27.94054 163.4530 7.685937 158.1944 6.559341 5.258636       10.10438 
1 1 1 -3  15 19 o 74.24341 9.925278 79.77063       18.95626 95.83164      25.39930 59.57583       28.48099 83.92144 11.23998 64.56537 16.36177 19.35607       19.85056 
1 1 1 -3  15 20 o 180.8968 7.439671 443.1470       36.23831 443.1470      36.23831 0.000000       0.000000 180.8968 7.439671 ?        ?        ?              ?        
1 1 1 -3  15 21 o 267.5123 7.949770 989.5850       57.26400 0.000000      0.000000 989.5850       57.26400 ?        ?        267.5123 7.949770 ?              ?        
1 1 1 -3  15 22 f 44.10914 13.92695 -31.59231      36.97634 13.78186      47.94062 -98.22416      58.09520 51.19746 21.22325 37.02082 18.03922 14.17664       27.85390 
1 1 1 -3  15 23 o 65.54992 14.04688 67.90632       26.82804 74.93118      33.11737 54.49548       45.75779 69.97947 17.59395 61.12037 21.90233 8.859100       28.09375 
1 1 1 -3  15 24 f 103.3453 9.511103 145.0783       25.74352 117.3421      32.23873 193.8868       42.76632 90.54318 13.22327 116.1475 13.67441 -25.60432      19.02221 
1 1 1 -3  15 25 o 139.6295 13.55197 353.7712       35.06125 384.9209      39.45493 236.8132       76.45214 165.7537 8.840050 113.5053 25.62180 52.24841       27.10393 
1 1 1 -3  15 26 o 59.81078 15.49402 70.80654       32.18553 75.73433      36.76402 54.63619       66.59736 64.17812 19.52903 55.44342 24.05984 8.734699       30.98804 
1 1 1 -3  17 1  o 476.9264 5.300484 3073.891       68.06911 3075.101      96.30373 3072.684       96.22485 477.0197 7.497620 476.8330 7.494413 0.1867676      10.60097 
1 1 1 -3  17 2  o 163.4122 3.455318 359.8157       15.17403 355.8090      20.76463 364.4074       22.22874 162.4441 4.747194 164.3804 5.022055 -1.936310      6.910636 
1 1 1 -3  17 3  o 110.2133 4.331476 163.0959       12.76854 156.9443      16.96743 171.1286       19.38869 107.8423 5.843103 112.5842 6.395693 -4.741905      8.662952 
1 1 1 -3  17 4  o 210.5843 3.378939 597.8303       19.15751 606.3784      27.34847 589.5947       26.84419 212.0612 4.789482 209.1073 4.767577 2.953888       6.757878 
1 1 1 -3  17 5  o 81.76785 6.036040 90.60183       13.13122 73.21008      18.21261 109.4305       18.95003 73.54958 9.196207 89.98613 7.820797 -16.43655      12.07208 
1 1 1 -3  17 6  o 366.9614 4.300430 1817.148       42.49174 1815.865      60.29762 1818.413       59.88925 366.8297 6.104532 367.0932 6.058835 -0.2635803     8.600860 
1 1 1 -3  17 7  o 207.8750 3.475692 582.2823       19.43769 592.9582      28.18512 572.5995       26.84212 209.6852 4.991932 206.0647 4.837598 3.620483       6.951384 
1 1 1 -3  17 8  o 119.5237 4.494841 192.0692       14.44015 205.5623      21.18454 180.3591       19.73530 123.4300 6.374043 115.6174 6.339240 7.812599       8.989682 
1 1 1 -3  17 9  o 535.2427 5.915380 3868.715       85.22177 3941.998      122.5990 3800.196       118.5467 540.1302 8.429563 530.3552 8.301167 9.774963       11.83076 
1 1 1 -3  17 10 o 731.4764 7.905993 7242.548       155.7162 7277.652      220.9396 7207.900       219.4995 733.2341 11.19045 729.7187 11.17107 3.515442       15.81199 
1 1 1 -3  17 11 o 289.5466 3.998046 1129.365       31.14542 1109.544      43.03647 1151.161       45.13066 286.8870 5.571119 292.2063 5.735864 -5.319275      7.996093 
1 1 1 -3  17 12 o 146.2265 4.694259 288.0391       18.47101 279.5790      25.56088 297.2850       26.72168 143.9835 6.592948 148.4694 6.684108 -4.485870      9.388517 
1 1 1 -3  17 13 o 199.3540 4.178392 536.6753       22.37558 518.8938      32.46110 552.7723       30.88536 196.1925 6.144655 202.5155 5.663839 -6.323059      8.356785 
1 1 1 -3  17 14 o 279.7944 4.152086 1035.462       30.66325 1152.607      49.44890 962.2750       39.08521 292.3853 6.280840 267.2035 5.432340 25.18179       8.304173 
1 1 1 -3  17 15 f 196.3205 4.410913 525.8627       22.66558 492.7469      35.98658 547.6373       29.18079 191.0927 6.993799 201.5484 5.376930 -10.45570      8.821825 
1 1 1 -3  17 16 o 57.71983 11.88217 44.77601       18.32533 50.71997      33.88846 42.31962       21.78525 60.71255 18.79915 54.72710 14.53741 5.985447       23.76435 
1 1 1 -3  17 17 o 119.7097 6.526096 193.1345       19.87168 197.8394      34.46201 190.7909       24.32248 120.6609 10.60696 118.7585 7.606064 1.902390       13.05219 
1 1 1 -3  17 18 o 194.7262 6.640466 512.4149       34.81821 0.000000      0.000000 512.4149       34.81821 ?        ?        194.7262 6.640466 ?              ?        
1 1 1 -3  17 19 o 43.43990 12.64988 -2.551640      26.73754 -43.73331     39.88738 31.05224       36.03116 34.53625 16.31707 52.34355 19.33470 -17.80730      25.29975 
1 1 1 -3  17 20 o 35.77644 12.26558 -81.32945      36.35934 -80.09191     54.52064 -82.32068      48.79434 37.39808 18.04471 34.15481 16.61824 3.243263       24.53115 
1 1 1 -3  17 21 o 143.0697 8.459719 293.7188       32.48728 269.0270      43.97485 323.3880       48.20371 136.4906 11.96515 149.6488 11.96255 -13.15817      16.91944 
1 1 1 -3  17 22 o 115.2962 8.180508 185.4344       24.60915 181.4077      31.05768 192.2278       40.34010 114.1985 10.10009 116.3939 12.87132 -2.195412      16.36102 
1 1 1 -3  17 23 o 49.50655 13.35830 26.13501       25.31152 7.979570      33.06833 51.82101       39.33302 40.72055 17.29843 58.29255 20.36029 -17.57199      26.71661 
1 1 1 -3  17 24 o 38.46786 12.21621 -5.191096      26.28183 -11.57654     35.63646 2.423672       38.91592 36.09125 16.47910 40.84447 18.03836 -4.753223      24.43242 
1 1 1 -3  17 25 o 82.86531 13.29657 123.7071       28.71359 131.7124      37.22910 111.9535       45.11091 89.28342 16.07687 76.44720 21.18323 12.83623       26.59314 
1 1 1 -3  19 1  o 281.1351 3.778698 1065.709       28.60019 1069.295      40.12096 1062.004       40.78064 281.6200 5.290838 280.6503 5.396414 0.9697266      7.557397 
1 1 1 -3  19 2  o 213.6822 3.602204 616.2657       20.64777 624.2510      28.10734 606.9052       30.43169 215.2007 4.850570 212.1637 5.326863 3.036972       7.204408 
1 1 1 -3  19 3  o 124.5544 4.572009 207.9898       15.13187 201.5603      19.71922 217.1983       23.59897 122.2464 5.990600 126.8625 6.908383 -4.616127      9.144017 
1 1 1 -3  19 4  o 290.5475 3.846763 1137.563       30.08524 1115.743      41.89523 1160.796       43.23007 287.6746 5.408535 293.4205 5.471572 -5.745880      7.693527 
1 1 1 -3  19 5  o 294.7082 3.889323 1170.220       30.85202 1194.937      44.38754 1147.119       42.91254 297.7145 5.537040 291.7019 5.463381 6.012543       7.778647 
1 1 1 -3  19 6  o 84.34171 6.436748 95.69631       14.57999 90.59612      19.76455 101.7851       21.59530 81.89146 8.963241 86.79197 9.240520 -4.900513      12.87350 
1 1 1 -3  19 7  o 235.2157 5.207973 745.7302       32.98515 745.7302      32.98515 0.000000       0.000000 235.2157 5.207973 ?        ?        ?              ?        
1 1 1 -3  19 8  o 218.9795 5.454924 646.4063       32.16441 646.4063      32.16441 0.000000       0.000000 218.9795 5.454924 ?        ?        ?              ?        
1 1 1 -3  19 9  o 339.4051 6.060253 1553.061       55.38503 1553.061      55.38503 0.000000       0.000000 339.4051 6.060253 ?        ?        ?              ?        
1 1 1 -3  19 10 o 406.8635 4.808123 2231.445       52.66203 2266.041      75.51572 2198.693       73.47685 409.9283 6.841417 403.7987 6.757752 6.129669       9.616246 
1 1 1 -3  19 11 o 309.7818 5.909291 1293.581       49.29180 1293.581      49.29180 0.000000       0.000000 309.7818 5.909291 ?        ?        ?              ?        
1 1 1 -3  19 12 o 479.1251 5.536985 3097.154       71.42924 3144.562      101.6419 3050.896       100.4019 482.7487 7.819310 475.5015 7.841634 7.247131       11.07397 
1 1 1 -3  19 13 o 149.4500 5.370181 302.4483       21.53162 312.0258      29.50738 291.5407       31.48982 152.0111 7.208949 146.8888 7.961560 5.122314       10.74036 
1 1 1 -3  19 14 o 59.92471 11.48103 50.65062       19.51556 34.69543      27.73340 66.30061       27.46686 51.52274 17.11424 68.32668 15.30877 -16.80394      22.96205 
1 1 1 -3  19 15 o 119.0932 6.370122 190.4278       19.77872 199.3433      32.63357 185.2512       24.86639 121.1841 10.00082 117.0023 7.892870 4.181801       12.74024 
1 1 1 -3  19 16 o 53.07480 12.26895 36.64026       18.97433 38.60611      34.97566 35.82041       22.58701 55.32010 19.20634 50.82949 15.27171 4.490608       24.53790 
1 1 1 -3  19 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  19 18 o 40.98758 12.72644 0.2442749      25.80803 -4.894678     44.91612 2.777066       31.53295 43.24506 19.22464 38.73009 16.68119 4.514973       25.45288 
1 1 1 -3  19 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  19 20 o 59.51781 13.89570 50.22213       26.06825 59.87868      37.31003 41.01189       36.43761 63.67596 19.72679 55.35966 19.57591 8.316292       27.79141 
1 1 1 -3  19 21 o 42.64735 12.57831 7.453399       24.32241 -5.861611     32.59125 24.19102       36.54072 37.09642 16.43904 48.19827 19.04241 -11.10184      25.15662 
1 1 1 -3  19 22 o 42.34293 12.71667 7.366948       25.89131 -8.837242     36.43855 23.89038       36.79575 37.67512 16.98679 47.01074 18.92890 -9.335625      25.43333 
1 1 1 -3  19 23 o 58.99576 13.21178 56.18121       26.14175 22.20942      37.38820 88.67457       36.56558 45.32280 18.76150 72.66871 18.60673 -27.34591      26.42355 
1 1 1 -3  19 24 o 69.32898 13.27088 92.15120       29.01617 139.6167      40.45964 41.88603       41.63575 89.44591 17.42527 49.21205 20.02062 40.23386       26.54177 
1 1 1 -3  21 1  o 602.2359 6.622979 4897.886       107.3934 4943.558      152.8991 4853.415       150.8756 605.0027 9.385646 599.4691 9.346929 5.533569       13.24596 
1 1 1 -3  21 2  o 583.7424 6.449143 4601.438       101.3670 4605.278      142.8958 4597.547       143.8177 583.9940 9.087150 583.4909 9.153662 0.5031128      12.89829 
1 1 1 -3  21 3  o 614.9786 6.750603 5108.280       111.7854 5112.924      157.9815 5103.624       158.1956 615.2608 9.535943 614.6965 9.557634 0.5643311      13.50121 
1 1 1 -3  21 4  o 357.8487 4.420524 1726.383       42.59455 1733.820      60.34823 1718.999       60.12796 358.6169 6.249574 357.0805 6.253555 1.536377       8.841047 
1 1 1 -3  21 5  o 300.9145 4.075359 1220.450       33.02045 1215.207      46.51292 1225.778       46.88524 300.2635 5.752911 301.5654 5.773927 -1.301880      8.150719 
1 1 1 -3  21 6  o 237.1704 3.938457 758.1235       25.14855 757.6942      35.85183 758.5394       35.28578 237.1022 5.615550 237.2386 5.523712 -0.1363678     7.876915 
1 1 1 -3  21 7  o 194.2141 4.253813 508.5555       22.24175 501.8362      31.60235 515.1506       31.30889 192.9400 6.082943 195.4883 5.947898 -2.548294      8.507626 
1 1 1 -3  21 8  o 127.5236 5.539242 220.5340       18.92127 198.9385      27.15090 240.9252       26.38305 121.4058 8.305418 133.6414 7.331633 -12.23560      11.07848 
1 1 1 -3  21 9  o 571.7976 6.372467 4407.849       97.97498 4277.620      134.3165 4555.930       143.2275 562.8171 8.862955 580.7781 9.158678 -17.96094      12.74493 
1 1 1 -3  21 10 o 654.2870 10.18178 5799.682       179.3806 5799.682      179.3806 0.000000       0.000000 654.2870 10.18178 ?        ?        ?              ?        
1 1 1 -3  21 11 o 251.0393 4.413927 851.8685       29.76412 871.2504      40.97247 830.2117       43.31040 254.0924 5.988487 247.9862 6.486063 6.106140       8.827853 
1 1 1 -3  21 12 o 130.0041 6.322244 232.2340       21.77809 253.7024      29.23841 205.4812       32.63918 136.9355 7.929654 123.0727 9.849044 13.86281       12.64449 
1 1 1 -3  21 13 o 36.10466 10.96379 -8.841703      20.68815 13.93027      28.24682 -35.19165      30.38498 42.26112 16.72791 29.94821 14.17728 12.31291       21.92757 
1 1 1 -3  21 14 o 116.5753 11.37045 185.0367       35.69172 185.0367      35.69172 0.000000       0.000000 116.5753 11.37045 ?        ?        ?              ?        
1 1 1 -3  21 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  21 16 o 84.91637 13.52372 103.6590       30.92225 0.000000      0.000000 103.6590       30.92225 ?        ?        84.91637 13.52372 ?              ?        
1 1 1 -3  21 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  21 18 o 130.0886 9.717777 232.6794       34.04000 0.000000      0.000000 232.6794       34.04000 ?        ?        130.0886 9.717777 ?              ?        
1 1 1 -3  21 19 o 33.53125 10.81772 -23.48979      23.19480 -59.46787     35.76735 2.621145       30.47046 28.85284 14.08007 38.20966 16.42693 -9.356813      21.63545 
1 1 1 -3  21 20 o 85.11198 11.35219 110.1082       24.84310 102.0590      38.93915 115.6336       32.26217 80.62966 18.34805 89.59431 13.37303 -8.964653      22.70438 
1 1 1 -3  21 21 o 65.80299 14.14327 69.39825       26.98825 91.28288      43.10243 55.28521       34.61325 73.18176 20.85898 58.42421 19.10580 14.75755       28.28654 
1 1 1 -3  21 22 o 48.14458 13.56558 32.22760       28.12746 3.749747      44.95205 50.55194       36.05870 42.05740 18.92375 54.23175 19.44201 -12.17435      27.13116 
1 1 1 -3  21 23 o 36.17215 12.02278 -18.89622      30.10970 13.75817      44.87704 -45.63044      40.60573 41.71478 18.82577 30.62951 14.95924 11.08527       24.04555 
1 1 1 -3  23 1  o 293.7324 4.150367 1163.344       32.80453 1150.954      45.46839 1176.794       47.37558 292.1105 5.780682 295.3543 5.957004 -3.243835      8.300734 
1 1 1 -3  23 2  o 149.9553 5.023149 301.4438       19.94322 292.2799      25.76534 315.1396       31.49865 147.1668 6.501934 152.7438 7.658523 -5.576950      10.04630 
1 1 1 -3  23 3  o 200.3265 4.388667 541.5999       23.51247 542.1981      31.48272 540.8455       35.35672 200.4782 5.832057 200.1749 6.559627 0.3033295      8.777334 
1 1 1 -3  23 4  f 461.2496 5.394443 2874.517       66.97861 2866.855      93.52748 2882.584       95.96360 460.6379 7.540431 461.8614 7.716342 -1.223511      10.78889 
1 1 1 -3  23 5  o 401.7217 4.896521 2178.585       52.93462 2161.137      73.47865 2197.412       76.32410 400.0678 6.820939 403.3755 7.026981 -3.307739      9.793041 
1 1 1 -3  23 6  o 235.3708 4.161619 746.9000       26.31894 738.4102      35.96859 756.6841       38.61318 233.9476 5.709805 236.7939 6.055940 -2.846298      8.323237 
1 1 1 -3  23 7  o 84.72035 8.286233 97.69319       18.88123 101.0936      26.40837 94.13719       27.00583 86.25436 11.37044 83.18634 12.05653 3.068024       16.57247 
1 1 1 -3  23 8  o 60.85188 11.50656 52.72944       19.32885 59.69755      27.06502 45.47606       27.61347 64.69819 15.69602 57.00557 16.82969 7.692616       23.01312 
1 1 1 -3  23 9  f 175.9437 4.949627 419.1783       23.40731 403.0695      33.69667 434.1998       32.53952 172.6456 7.248499 179.2418 6.741996 -6.596191      9.899255 
1 1 1 -3  23 10 o 144.0784 5.946721 282.0009       22.99019 295.5608      31.73507 267.0247       33.35118 147.7769 7.975343 140.3798 8.823143 7.397156       11.89344 
1 1 1 -3  23 11 o 411.8320 7.378078 2294.763       81.81760 2294.763      81.81760 0.000000       0.000000 411.8320 7.378078 ?        ?        ?              ?        
1 1 1 -3  23 12 o 176.5962 6.096456 423.7959       28.90207 384.3739      40.71916 463.8220       41.03000 168.2475 8.988075 184.9448 8.239029 -16.69727      12.19291 
1 1 1 -3  23 13 o 219.7339 7.656277 654.5912       45.29998 654.5912      45.29998 0.000000       0.000000 219.7339 7.656277 ?        ?        ?              ?        
1 1 1 -3  23 14 o 26.54250 13.40817 -151.7139      46.00778 0.000000      0.000000 -151.7139      46.00778 ?        ?        26.54250 13.40817 ?              ?        
1 1 1 -3  23 15 o 74.55589 21.26168 81.38107       44.77079 0.000000      0.000000 81.38107       44.77079 ?        ?        74.55589 21.26168 ?              ?        
1 1 1 -3  23 16 o 124.5776 8.793300 212.2845       27.50875 226.1237      49.23040 206.0019       33.17030 126.7875 14.42028 122.3678 10.06697 4.419685       17.58660 
1 1 1 -3  23 17 o 47.46224 13.49974 22.17535       25.00398 16.15309      46.10785 24.68419       29.75994 49.08895 20.61591 45.83553 17.43433 3.253418       26.99947 
1 1 1 -3  23 18 o 53.28042 13.86401 37.53048       25.30787 51.07020      42.39850 30.03614       31.54367 58.46170 21.06890 48.09914 18.02623 10.36256       27.72803 
1 1 1 -3  23 19 o 45.86777 12.95294 16.86617       27.93842 -43.48085     48.65984 46.54326       34.12349 37.00895 17.63960 54.72659 18.97258 -17.71764      25.90588 
1 1 1 -3  23 20 o 51.18431 13.28661 40.68103       27.83407 -15.78798     50.92032 64.74325       33.23944 40.90530 19.03734 61.46333 18.53957 -20.55803      26.57322 
1 1 1 -3  23 21 o 37.43234 12.03142 -5.324952      28.84504 -62.91544     50.31947 22.86153       35.20311 32.69928 16.10706 42.16540 17.87687 -9.466122      24.06283 
1 1 1 -3  25 1  o 251.3792 6.132185 853.3840       41.50763 853.3840      41.50763 0.000000       0.000000 251.3792 6.132185 ?        ?        ?              ?        
1 1 1 -3  25 2  o 467.9520 5.588093 2956.273       70.23944 2869.870      95.49207 3058.126       103.6794 460.5800 7.699790 475.3241 8.100639 -14.74414      11.17619 
1 1 1 -3  25 3  o 209.2622 4.885037 592.2612       27.23124 594.6086      36.01587 589.1283       41.60824 209.8069 6.375154 208.7176 7.403498 1.089325       9.770075 
1 1 1 -3  25 4  o 328.1654 4.614965 1453.563       40.72272 1429.149      55.93158 1481.104       59.40662 325.2605 6.386199 331.0704 6.663940 -5.809937      9.229931 
1 1 1 -3  25 5  o 58.55475 12.54872 48.33579       21.78624 56.94174      28.72001 36.67176       33.43564 63.14047 16.65319 53.96902 18.77639 9.171448       25.09744 
1 1 1 -3  25 6  o 328.0585 4.764486 1454.845       42.06258 1438.924      58.36035 1472.056       60.67828 326.2117 6.644081 329.9052 6.830629 -3.693481      9.528973 
1 1 1 -3  25 7  o 278.6316 4.731604 1036.571       35.21711 946.8126      46.36688 1158.952       54.14098 264.5963 6.507897 292.6669 6.870195 -28.07059      9.463208 
1 1 1 -3  25 8  o 238.3433 5.164425 765.0674       32.99389 729.7804      44.21902 809.3875       49.55663 232.2166 7.071841 244.4701 7.528226 -12.25351      10.32885 
1 1 1 -3  25 9  o 305.5295 5.091947 1259.824       41.80104 1379.920      61.01693 1153.612       57.38161 319.2281 7.098489 291.8310 7.302270 27.39703       10.18389 
1 1 1 -3  25 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  25 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  25 12 o 220.2728 8.883862 664.9188       52.69217 664.9188      52.69217 0.000000       0.000000 220.2728 8.883862 ?        ?        ?              ?        
1 1 1 -3  25 13 o 74.68105 12.92423 81.94513       26.19426 109.4480      38.79752 58.90694       35.50908 86.15864 17.32387 63.20345 19.18401 22.95519       25.84846 
1 1 1 -3  25 14 o 76.77020 12.55055 88.57700       25.08528 101.8004      39.59918 79.71365       32.42001 81.18155 18.52428 72.35885 16.93861 8.822701       25.10110 
1 1 1 -3  25 15 o 62.20763 13.54067 51.13412       25.65463 92.25560      41.98069 26.62402       32.41066 76.79230 20.07654 47.62294 18.17502 29.16936       27.08134 
1 1 1 -3  25 16 o 44.57066 12.73748 -5.160708      27.07239 54.68593      41.83932 -48.26392      35.50746 59.24239 20.97381 29.89894 14.45936 29.34344       25.47496 
1 1 1 -3  25 17 o 51.36965 13.69309 33.53952       26.08861 59.94485      41.26221 15.95374       33.67345 60.08496 20.86110 42.65434 17.74308 17.43063       27.38617 
1 1 1 -3  25 18 o 60.36757 14.17480 66.50203       27.87087 47.42842      45.03023 78.34604       35.48436 53.69799 21.16324 67.03716 18.86311 -13.33916      28.34960 
1 1 1 -3  25 19 o 60.33010 14.51114 74.19911       28.00098 72.16434      46.79715 75.33387       34.94722 57.98919 21.90915 62.67101 19.03369 -4.681828      29.02227 
1 1 1 -3  27 1  o 211.7221 6.083449 606.0196       33.78214 601.3160      43.07236 613.5377       54.45502 210.8079 7.588019 212.6363 9.510802 -1.828400      12.16690 
1 1 1 -3  27 2  f 166.0842 6.916561 385.5083       29.67289 421.9144      38.14528 329.7201       47.21986 176.5318 8.024807 155.6366 11.26755 20.89514       13.83312 
1 1 1 -3  27 3  o 107.9048 11.04364 165.2973       30.04514 177.7988      38.58660 146.0461       47.88310 114.2803 12.53954 101.5293 18.18264 12.75108       22.08729 
1 1 1 -3  27 4  f 165.5554 7.704918 366.0388       34.04803 308.9791      45.28512 440.2391       51.64086 150.9125 11.14415 180.1983 10.64289 -29.28578      15.40984 
1 1 1 -3  27 5  o 197.9405 9.345382 530.2437       49.80984 530.2437      49.80984 0.000000       0.000000 197.9405 9.345382 ?        ?        ?              ?        
1 1 1 -3  27 6  o 268.1653 5.902714 965.3367       42.44469 862.9796      57.29980 1089.788       63.18208 252.5263 8.426808 283.8043 8.267830 -31.27803      11.80543 
1 1 1 -3  27 7  o 191.9584 6.507074 513.6327       33.23926 564.3028      45.32676 454.6827       48.89005 202.7353 8.303133 181.1815 10.02128 21.55377       13.01415 
1 1 1 -3  27 8  f 55.67981 13.37322 39.61762       27.14334 72.56027      36.92307 0.8804393      40.03894 68.61802 19.21844 42.74159 18.60170 25.87643       26.74644 
1 1 1 -3  27 9  o 277.5233 5.267715 1042.470       39.03968 992.8870      51.50412 1109.430       59.85251 269.9940 7.084423 285.0526 7.797834 -15.05856      10.53543 
1 1 1 -3  27 10 o 215.8298 5.952948 643.1691       34.37596 656.1509      46.37899 627.3426       51.20897 218.5546 7.880940 213.1051 8.924190 5.449463       11.90590 
1 1 1 -3  27 11 o 106.2036 10.06418 162.2833       28.54069 177.9451      39.43934 145.0639       41.35394 112.1047 13.06540 100.3025 15.31164 11.80219       20.12836 
1 1 1 -3  27 12 o 155.5998 7.158446 340.6436       29.66735 387.7520      41.37791 290.8076       42.55893 167.2460 9.188177 143.9535 10.97956 23.29253       14.31689 
1 1 1 -3  27 13 o 123.0652 12.12588 216.9958       40.18204 216.9958      40.18204 0.000000       0.000000 123.0652 12.12588 ?        ?        ?              ?        
1 1 1 -3  27 14 o 104.0089 10.99373 157.1782       29.41482 123.3247      37.38115 212.2243       47.66663 89.02551 16.19032 118.9924 14.87688 -29.96687      21.98745 
1 1 1 -3  27 15 o 71.05943 13.69548 91.06393       28.34089 113.7964      37.38012 60.32854       43.46467 83.40788 17.21452 58.71099 21.30551 24.69690       27.39095 
1 1 1 -3  27 16 o 57.61397 14.23288 62.53038       27.56410 71.78952      37.84988 52.07473       40.22116 61.71523 19.96643 53.51271 20.28894 8.202526       28.46575 
1 1 1 -3  27 17 o 46.49283 13.37056 34.99306       28.07236 7.486973      42.68107 55.96444       37.26786 39.83769 18.12941 53.14796 19.65737 -13.31028      26.74113 
1 1 1 -3  29 1  o 120.8456 7.966537 201.0715       25.23440 190.6932      31.87093 218.5094       41.31224 117.1803 10.10082 124.5110 12.32218 -7.330711      15.93307 
1 1 1 -3  29 2  f 71.78143 12.80493 75.68774       24.52549 59.70815      31.41752 100.6169       39.24129 62.60415 17.79621 80.95870 18.41630 -18.35455      25.60986 
1 1 1 -3  29 3  f 84.00137 11.60631 109.0710       24.40067 120.8516      30.59660 88.48726       40.44370 92.64868 12.26452 75.35406 19.70805 17.29462       23.21262 
1 1 1 -3  29 4  o 72.44806 13.56385 81.06111       26.67130 80.97006      35.05146 81.18632       41.10564 72.78979 17.98735 72.10633 20.30682 0.6834564      27.12770 
1 1 1 -3  29 5  o 73.14222 12.06644 72.20031       25.11787 34.52539      32.08383 131.8527       40.37142 50.80609 18.32508 95.47835 15.70311 -44.67226      24.13288 
1 1 1 -3  29 6  o 79.28777 12.08788 99.07941       25.03153 115.5182      32.18182 73.90127       39.82789 90.03966 13.27374 68.53588 20.20583 21.50378       24.17577 
1 1 1 -3  29 7  o 185.4550 5.817114 476.5147       28.64387 482.1397      37.66247 468.7968       44.11574 187.1797 7.472514 183.7303 8.917219 3.449356       11.63423 
1 1 1 -3  29 8  o 115.0855 8.459868 185.5804       25.93264 163.8992      33.78804 216.6607       40.45415 107.2122 11.70403 122.9588 12.21856 -15.74667      16.91974 
1 1 1 -3  29 9  o 91.23140 11.49287 131.4495       25.99293 142.9426      32.76176 111.9245       42.70164 99.62950 12.21225 82.83329 19.47319 16.79621       22.98574 
1 1 1 -3  29 10 o 34.55727 11.48826 -27.20325      26.28608 -34.17545     33.38779 -15.83551      42.63240 30.54332 14.57271 38.57123 17.76390 -8.027912      22.97651 
1 1 1 -3  29 11 o 51.77852 14.13313 35.28867       27.33739 19.37108      34.08091 64.01019       45.78004 43.25703 17.90992 60.30000 21.86815 -17.04296      28.26626 
1 1 1 -3  29 12 o 103.4279 10.92834 162.8016       29.35212 145.1426      36.30297 196.1395       49.88025 97.15228 13.87733 109.7035 16.88591 -12.55126      21.85668 
1 1 1 -3  29 13 o 97.37483 12.08410 159.8206       29.81906 149.5739      37.30278 177.9586       49.62999 96.42148 14.36760 98.32818 19.43384 -1.906700      24.16820 
1 1 1 -3  29 14 o 42.19638 13.11879 7.994222       29.67941 -24.10501     38.72519 53.68978       46.20439 32.79116 15.65879 51.60160 21.05263 -18.81044      26.23759 
1 1 1 -3  31 1  o 56.88325 13.93916 53.37796       25.74983 44.19367      33.42004 66.79593       40.39498 52.27802 18.71973 61.48847 20.65847 -9.210453      27.87832 
1 1 1 -3  31 2  o 50.74388 12.56725 38.44588       24.97061 66.08121      31.67795 -6.904803      40.58044 62.70736 17.88522 38.78040 17.65961 23.92696       25.13449 
1 1 1 -3  31 3  o 142.8223 7.186702 301.8100       26.49741 336.6552      34.46625 251.4503       41.43473 154.7294 8.272518 130.9151 11.75416 23.81432       14.37340 
1 1 1 -3  31 4  o 74.86813 12.79534 98.13435       25.61647 111.2155      33.06326 78.49043       40.51693 83.80832 15.21150 65.92794 20.57896 17.88038       25.59069 
1 1 1 -3  31 5  o 127.0525 7.835967 231.1210       26.31420 210.5253      33.60119 263.7851       42.31569 120.5438 10.35205 133.5612 11.76625 -13.01735      15.67193 
1 1 1 -3  31 6  o 114.6842 8.755089 197.0926       26.15489 194.8781      33.11896 200.7627       42.63504 115.3923 10.65900 113.9761 13.89216 1.416245       17.51018 
1 1 1 -3  31 7  o 73.68233 13.05433 98.12610       25.76049 102.8060      33.68643 91.53492       39.97779 77.89294 16.57038 69.47173 20.17635 8.421219       26.10866 
1 1 1 -3  31 8  o 41.32819 12.49387 10.74949       25.24107 -13.32533     32.53144 47.16686       40.01068 32.27913 15.08734 50.37724 19.91883 -18.09811      24.98775 
1 1 1 -3  31 9  o 81.73611 12.72716 120.9286       26.75869 117.0978      34.30842 126.8781       42.75591 82.42570 16.03524 81.04652 19.76851 1.379189       25.45433 
1 1 1 -2  0  1  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  3  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  7  o 400.7746 10.07250 2167.465       108.5427 0.000000      0.000000 2167.465       108.5427 400.7746 10.07250 400.7746 10.07250 -0.000000      0.000000 
1 1 1 -2  0  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  9  o 342.9727 11.21182 1589.243       103.2919 1589.243      103.2919 0.000000       0.000000 342.9727 11.21182 342.9727 11.21182 -0.000000      0.000000 
1 1 1 -2  0  10 o 758.8803 16.69097 7769.963       340.6934 0.000000      0.000000 7769.963       340.6934 758.8803 16.69097 758.8803 16.69097 -0.000000      0.000000 
1 1 1 -2  0  11 o 100.7111 16.24787 152.7258       35.58809 164.4297      64.63157 147.6332       42.63326 100.8946 27.51847 100.5275 17.28313 -0.000000      0.000000 
1 1 1 -2  0  12 o 184.3674 10.76439 496.9090       47.18129 392.4342      81.49822 549.5753       57.86407 167.5933 18.65048 201.1414 10.75398 -0.000000      0.000000 
1 1 1 -2  0  13 o 253.8022 8.874544 870.4128       58.10984 889.4094      96.39977 859.5701       72.82922 255.7089 14.09858 251.8955 10.78240 -0.000000      0.000000 
1 1 1 -2  0  14 o 112.5098 20.24774 201.1515       50.43907 202.7667      87.26140 200.3411       61.81103 109.1806 33.88853 115.8391 22.16871 -0.000000      0.000000 
1 1 1 -2  0  15 o 107.2915 23.78002 185.8694       52.41451 216.0271      113.7650 177.7428       59.05578 106.8934 41.51123 107.6896 23.21153 -0.000000      0.000000 
1 1 1 -2  0  16 o 363.8666 10.47875 1834.173       93.42439 1726.597      168.3051 1882.081       112.3172 355.0800 17.70343 372.6533 11.21629 -0.000000      0.000000 
1 1 1 -2  0  17 o 119.9578 26.09862 207.3167       59.63705 317.2296      144.6024 184.7899       65.46376 131.7783 45.30725 108.1373 25.91919 -0.000000      0.000000 
1 1 1 -2  0  18 o 389.3080 11.14642 2058.213       105.8033 2074.416      195.8253 2051.533       125.7354 389.5067 18.77049 389.1093 12.02660 -0.000000      0.000000 
1 1 1 -2  0  19 o 91.21052 30.55804 145.9167       70.09872 204.9751      168.8103 133.6111       77.05640 99.11049 50.42550 83.31055 34.53180 -0.000000      0.000000 
1 1 1 -2  0  20 o 66.74832 28.66341 49.47029       70.18140 111.7079      182.3452 38.64757       76.03899 81.93820 48.33197 51.55844 30.82831 -0.000000      0.000000 
1 1 1 -2  0  21 o 79.65423 30.81385 114.7813       76.74879 104.8191      203.8823 116.4261       82.84249 83.24140 50.12354 76.06705 35.85532 -0.000000      0.000000 
1 1 1 -2  0  22 o 68.25369 29.43367 68.63509       78.18836 49.37229      212.5264 71.65044       84.08566 75.48517 47.95530 61.02222 34.14167 -0.000000      0.000000 
1 1 1 -2  0  23 o 198.9985 29.40072 577.6234       91.10823 689.2037      257.3349 561.6326       97.41817 197.6176 55.84426 200.3794 18.41268 -0.000000      0.000000 
1 1 1 -2  0  24 o 180.3891 39.87062 665.9363       121.7456 549.4773      405.5487 677.4712       127.6325 142.4568 76.57705 218.3214 22.24005 -0.000000      0.000000 
1 1 1 -2  0  25 o 77.57178 37.50535 10.85331       147.7310 -325.8949     547.6782 37.27774       153.4178 90.08138 62.75830 65.06218 41.08527 -0.000000      0.000000 
1 1 1 -2  0  26 o 64.58492 39.43663 80.43719       129.9832 0.000000      0.000000 80.43719       129.9832 64.58492 39.43663 64.58492 39.43663 -0.000000      0.000000 
1 1 1 -2  0  27 o 37.04476 26.37556 -126.6701      114.8708 0.000000      0.000000 -126.6701      114.8708 37.04476 26.37556 37.04476 26.37556 -0.000000      0.000000 
1 1 1 -2  0  28 o 46.88349 20.71675 40.77057       55.86543 65.65091      71.08345 0.5771201      90.34789 51.78773 30.35103 41.97925 28.20548 -0.000000      0.000000 
1 1 1 -2  0  29 o 58.96776 20.63348 43.01495       47.90436 -33.47041     58.18771 203.8982       84.39126 28.82357 20.16422 89.11195 36.00508 -0.000000      0.000000 
1 1 1 -2  2  1  o 330.6566 7.448958 1.150769       3.995990 -0.4395438    3.996552 5651.829       238.2289 13.78679 5.938333 647.5264 13.66324 -633.7396      14.89792 
1 1 1 -2  2  2  o 9.693461 4.708881 -6.795478      3.876318 -6.795478     3.876318 0.000000       0.000000 9.693461 4.708881 ?        ?        ?              ?        
1 1 1 -2  2  3  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  4  o 640.1860 6.804041 5519.730       117.2819 5551.621      166.9447 5488.653       164.7994 642.0107 9.657104 638.3613 9.587504 3.649414       13.60808 
1 1 1 -2  2  5  o 303.7324 3.428342 1241.766       28.03334 1222.236      39.17682 1262.259       40.13065 301.2859 4.829108 306.1788 4.867631 -4.892883      6.856685 
1 1 1 -2  2  6  o 679.2667 7.236507 6216.144       132.3573 6194.084      186.6425 6238.459       187.7252 678.0550 10.22262 680.4785 10.24530 -2.423523      14.47301 
1 1 1 -2  2  7  o 678.5886 7.257964 6201.531       132.5731 6091.962      184.5617 6318.333       190.5553 672.4030 10.19362 684.7743 10.33452 -12.37134      14.51593 
1 1 1 -2  2  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  9  o 693.5573 10.51113 6441.039       195.1177 6121.491      259.5875 6856.035       295.8268 673.9426 14.30466 713.1719 15.40494 -39.22931      21.02226 
1 1 1 -2  2  10 o 659.0425 8.866864 5766.998       144.9782 5637.449      173.0653 6071.821       265.4704 646.9179 9.935218 671.1670 14.68933 -24.24908      17.73373 
1 1 1 -2  2  11 o 832.7194 10.48614 9209.110       200.1526 9087.950      228.5161 9608.322       414.7985 821.3686 10.33226 844.0703 18.25051 -22.70166      20.97229 
1 1 1 -2  2  12 o 550.6255 12.64655 4086.923       187.5046 0.000000      0.000000 4086.923       187.5046 ?        ?        550.6255 12.64655 ?              ?        
1 1 1 -2  2  13 o 204.6200 7.451598 567.5032       40.38896 547.4727      62.44690 581.9081       52.95644 201.4697 11.51113 207.7703 9.465684 -6.300629      14.90320 
1 1 1 -2  2  14 o 491.5136 12.60337 3268.467       166.8036 3268.467      166.8036 0.000000       0.000000 491.5136 12.60337 ?        ?        ?              ?        
1 1 1 -2  2  15 o 150.9388 9.583924 309.5588       38.91604 307.5902      56.15107 311.3784       53.98405 150.4461 13.86097 151.4314 13.23933 -0.9853210     19.16785 
1 1 1 -2  2  16 o 162.6995 9.331626 360.4260       40.67036 360.9503      60.68143 359.9984       54.80030 162.7135 13.84997 162.6856 12.50980 0.2786255E-01  18.66325 
1 1 1 -2  2  17 o 346.6601 7.217733 1631.022       67.13223 1649.353      91.45428 1609.604       98.85576 348.8848 9.735059 344.4354 10.65886 4.449402       14.43547 
1 1 1 -2  2  18 o 195.1506 10.78837 493.7660       53.21234 590.0327      96.43835 451.6277       63.80433 207.8800 17.22875 182.4212 12.98947 25.45872       21.57675 
1 1 1 -2  2  19 o 139.3925 16.19349 302.6625       51.50932 204.2010      91.91150 347.7463       62.19381 118.7748 28.99219 160.0101 14.43498 -41.23528      32.38697 
1 1 1 -2  2  20 o 130.0409 16.23941 241.6852       50.63469 221.3394      90.97085 250.8178       60.94849 124.2342 27.87921 135.8476 16.66202 -11.61335      32.47881 
1 1 1 -2  2  21 f 90.50249 19.27285 117.6815       53.54108 55.79057      87.15864 155.1910       67.85283 76.85352 29.68431 104.1515 24.58888 -27.29794      38.54570 
1 1 1 -2  2  22 o 120.6694 17.34572 216.2599       54.49105 160.1237      82.78870 259.1678       72.37988 104.4039 28.60346 136.9348 19.63002 -32.53085      34.69143 
1 1 1 -2  2  23 o 64.34451 19.30983 -11.66828      57.73587 61.93099      96.85922 -52.23158      71.90694 79.08890 31.08041 49.60012 22.92350 29.48877       38.61966 
1 1 1 -2  2  24 o 338.8685 12.21173 1609.624       108.3703 1522.554      171.8366 1667.124       139.6416 329.8766 19.34554 347.8604 14.90825 -17.98373      24.42347 
1 1 1 -2  2  25 f 81.23549 26.16437 -69.56007      122.2442 -138.5709     209.2326 -33.79501      150.6261 83.43176 38.74940 79.03921 35.16789 4.392555       52.32874 
1 1 1 -2  2  26 o 73.97886 23.83277 -2.226610      99.40746 -12.69993     174.9228 2.769283       120.8122 78.26140 36.02064 69.69632 31.21726 8.565079       47.66554 
1 1 1 -2  2  27 o 179.6441 21.19532 566.9020       91.68443 524.0481      157.3590 588.9266       112.8109 164.0481 36.55818 195.2400 21.45848 -31.19189      42.39064 
1 1 1 -2  2  28 o 53.21243 17.71928 -24.97071      66.56149 -67.48345     97.76584 11.76093       90.87570 49.64425 24.00461 56.78060 26.07049 -7.136349      35.43856 
1 1 1 -2  2  29 o 43.41096 14.79499 -24.25158      48.45323 -29.90383     59.51654 -13.14246      83.43854 39.92135 19.15672 46.90057 22.55188 -6.979221      29.58998 
1 1 1 -2  4  1  o 1713.607 36.24683 39767.14       1672.494 0.000000      0.000000 39767.14       1672.494 ?        ?        1713.607 36.24683 ?              ?        
1 1 1 -2  4  2  f 832.0176 8.772429 9325.153       196.5115 9408.033      280.4213 9245.177       275.4635 835.6471 12.46249 828.3880 12.34943 7.259094       17.54486 
1 1 1 -2  4  3  o 1457.480 15.37449 28591.07       602.2742 29708.06      884.5175 27625.54       822.3636 1483.905 22.13690 1431.055 21.34146 52.84985       30.74899 
1 1 1 -2  4  4  o 714.5808 7.569647 6878.394       145.6471 6899.218      206.7375 6857.874       205.2231 715.6537 10.72835 713.5079 10.68179 2.145813       15.13929 
1 1 1 -2  4  5  o 323.4925 5.079544 1409.150       44.24583 1409.150      44.24583 0.000000       0.000000 323.4925 5.079544 ?        ?        ?              ?        
1 1 1 -2  4  6  o 195.8864 2.444727 516.6684       12.88403 516.3935      18.60415 516.9218       17.86017 195.8359 3.528044 195.9368 3.385213 -0.1009216     4.889454 
1 1 1 -2  4  7  f 765.9598 8.128289 7894.523       167.4645 8116.248      243.6979 7696.141       230.5129 776.1284 11.66097 755.7913 11.32687 20.33710       16.25658 
1 1 1 -2  4  8  o 506.6641 7.782063 3457.115       106.1691 3457.115      106.1691 0.000000       0.000000 506.6641 7.782063 ?        ?        ?              ?        
1 1 1 -2  4  9  o 1060.244 11.22999 15137.83       320.3741 14797.24      443.0611 15511.06       463.8052 1047.770 15.70414 1072.717 16.05710 -24.94678      22.45998 
1 1 1 -2  4  10 o 1056.103 11.19880 15036.82       318.4395 15135.92      453.7347 14940.63       447.0233 1059.525 15.90404 1052.681 15.77067 6.844238       22.39760 
1 1 1 -2  4  11 o 824.5791 12.47002 9162.985       276.8745 9162.985      276.8745 0.000000       0.000000 824.5791 12.47002 ?        ?        ?              ?        
1 1 1 -2  4  12 o 532.1115 7.321535 3784.897       97.34406 3734.065      117.1220 3898.453       175.0564 526.4756 8.261841 537.7473 12.08973 -11.27173      14.64307 
1 1 1 -2  4  13 o 394.7744 5.890528 2079.604       57.94231 2045.512      69.50632 2157.265       104.9055 389.6209 6.625194 399.9278 9.741667 -10.30688      11.78106 
1 1 1 -2  4  14 o 96.70256 8.246080 127.2667       17.49250 127.8521      19.70952 125.0951       37.96295 97.35722 7.518384 96.04791 14.67873 1.309303       16.49216 
1 1 1 -2  4  15 o 137.1079 7.134820 261.8421       21.43005 267.5218      24.24485 241.5539       45.82259 140.8169 6.394130 133.3988 12.75687 7.418060       14.26964 
1 1 1 -2  4  16 o 148.1571 6.891927 311.7658       23.40072 326.4051      27.15620 269.5445       46.11848 155.4930 6.485965 140.8212 12.16252 14.67183       13.78385 
1 1 1 -2  4  17 o 92.45509 11.51233 140.4356       22.17060 157.8506      25.36432 84.04982       45.64003 108.0484 8.718092 76.86176 21.31031 31.18668       23.02465 
1 1 1 -2  4  18 o 119.8196 9.970314 208.6893       25.48659 218.7428      28.80224 172.4097       54.71402 127.2700 8.404594 112.3691 18.08290 14.90089       19.94063 
1 1 1 -2  4  19 o 100.9556 11.78504 158.0523       25.13902 172.5228      28.86913 112.6583       51.13188 112.9974 9.488160 88.91383 21.57600 24.08352       23.57009 
1 1 1 -2  4  20 o 352.7755 6.464802 1661.984       54.40189 1641.158      63.40435 1720.100       105.9176 348.8639 6.749625 356.6870 11.02802 -7.823090      12.92960 
1 1 1 -2  4  21 o 109.6720 11.14065 136.2373       26.72339 119.6585      29.39165 215.3103       64.18920 93.96989 11.61587 125.3741 19.01387 -31.40425      22.28129 
1 1 1 -2  4  22 o 248.0464 6.833592 807.5997       39.25627 783.2214      44.87517 887.0712       81.02336 240.7543 6.922273 255.3385 11.78448 -14.58424      13.66718 
1 1 1 -2  4  23 o 80.67739 15.23791 105.6347       32.90612 123.2716      36.66542 32.61589       74.60431 94.88978 14.35006 66.46500 26.88590 28.42477       30.47582 
1 1 1 -2  4  24 o 243.3701 9.371172 763.4883       49.56805 732.2881      55.12049 895.3683       113.3244 232.3180 8.811440 254.4223 16.54189 -22.10429      18.74234 
1 1 1 -2  4  25 o 294.7380 17.92114 1172.380       139.6755 1483.479      223.8564 974.0528       178.7358 325.5377 25.53788 263.9384 25.14928 61.59927       35.84229 
1 1 1 -2  4  26 o 110.5049 19.58628 175.7053       45.58487 159.4626      49.53032 265.6453       116.5516 102.6157 18.61097 118.3941 34.46913 -15.77837      39.17255 
1 1 1 -2  4  27 o 66.12466 18.84264 50.08056       41.73742 37.12951      46.18041 107.8375       97.52311 54.43697 21.43903 77.81234 30.99271 -23.37537      37.68528 
1 1 1 -2  4  28 o 51.58377 15.46322 26.36699       39.89954 53.57904      46.85770 -45.39540      76.09370 57.44432 21.87020 45.72322 21.86639 11.72109       30.92644 
1 1 1 -2  4  29 o 45.41665 14.71293 18.00378       40.39260 33.02484      47.02795 -24.24622      78.87135 46.91232 20.28788 43.92097 21.31392 2.991344       29.42586 
1 1 1 -2  6  1  o 795.0433 8.401912 8516.524       179.8461 8435.456      252.0079 8600.666       256.7397 791.1915 11.82903 798.8951 11.93493 -7.703674      16.80382 
1 1 1 -2  6  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  6  3  o 400.2390 4.299304 2157.244       46.33240 2166.371      65.85986 2148.301       65.19304 401.0768 6.098316 399.4012 6.061895 1.675568       8.598607 
1 1 1 -2  6  4  o 149.3021 2.126701 299.7087       8.541309 309.3503      12.42045 291.0584       11.76468 151.5768 3.043136 147.0274 2.971657 4.549408       4.253401 
1 1 1 -2  6  5  o 551.0740 5.884689 4090.191       87.31512 4113.877      124.3130 4067.129       122.6678 552.6475 8.353820 549.5004 8.290473 3.147095       11.76938 
1 1 1 -2  6  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  6  7  o 549.2977 5.877368 4063.587       86.93042 4045.237      122.7691 4082.038       123.1079 548.0539 8.319219 550.5415 8.304483 -2.487610      11.75474 
1 1 1 -2  6  8  o 674.0613 10.11740 6120.082       183.6334 0.000000      0.000000 6120.082       183.6334 ?        ?        674.0613 10.11740 ?              ?        
1 1 1 -2  6  9  o 719.7936 7.663163 6978.479       148.4881 7060.433      212.8285 6900.751       207.2697 723.9062 10.91853 715.6810 10.75556 8.225220       15.32633 
1 1 1 -2  6  10 o 230.0074 3.014461 710.3274       18.64330 669.5898      25.59136 756.3970       27.21466 223.0001 4.261918 237.0148 4.264264 -14.01471      6.028921 
1 1 1 -2  6  11 o 891.3804 13.38933 10712.95       321.3700 0.000000      0.000000 10712.95       321.3700 ?        ?        891.3804 13.38933 ?              ?        
1 1 1 -2  6  12 o 481.8822 5.360335 3115.434       69.36068 2955.090      93.91807 3307.818       102.8742 468.3086 7.447897 495.4558 7.711135 -27.14719      10.72067 
1 1 1 -2  6  13 o 56.24916 7.029148 42.48324       10.33238 37.04461      13.47063 50.25592       16.10381 51.49198 10.07630 61.00634 9.803257 -9.514359      14.05830 
1 1 1 -2  6  14 o 533.2078 7.347253 3894.641       100.8212 4015.909      126.4226 3682.759       167.1083 545.1816 8.611925 521.2341 11.90644 23.94751       14.69451 
1 1 1 -2  6  15 o 324.0656 5.489407 1397.043       43.44221 1367.662      51.28444 1471.683       81.74136 318.3712 5.982304 329.7599 9.205780 -11.38870      10.97881 
1 1 1 -2  6  16 o 208.3653 5.582005 597.0987       26.97770 607.3755      31.21640 566.7769       53.62061 212.1904 5.463536 204.5402 9.735754 7.650146       11.16401 
1 1 1 -2  6  17 o 279.0339 5.807524 1074.552       39.01340 1104.281      46.19880 1000.648       72.83969 286.1307 5.996292 271.9371 9.947554 14.19366       11.61505 
1 1 1 -2  6  18 o 121.4843 8.964421 216.3491       22.86392 227.6395      25.73921 174.1149       49.78209 129.8828 7.359699 113.0858 16.34865 16.79707       17.92884 
1 1 1 -2  6  19 o 278.3827 6.049600 1024.299       41.10002 995.9022      48.42174 1097.482       77.73410 271.7678 6.616966 284.9975 10.12948 -13.22968      12.09920 
1 1 1 -2  6  20 o 387.9331 6.595065 2055.587       65.47286 2109.748      81.44653 1956.659       110.0759 395.4377 7.649113 380.4285 10.74572 15.00928       13.19013 
1 1 1 -2  6  21 o 225.3831 7.216810 713.0549       38.08990 740.8743      44.56213 637.6049       73.38754 234.2169 7.065850 216.5494 12.58583 17.66743       14.43362 
1 1 1 -2  6  22 o 138.1642 13.14321 351.9243       33.64309 420.8899      38.89129 146.8700       67.06110 176.3219 8.191489 100.0066 24.97750 76.31525       26.28642 
1 1 1 -2  6  23 o 49.22849 15.91165 -30.12521      34.41004 -37.80842     37.68756 8.373511       84.36258 34.24017 16.07858 64.21682 27.46273 -29.97665      31.82330 
1 1 1 -2  6  24 o 195.1739 10.84880 451.8029       46.79568 389.2076      51.62913 739.9359       110.7695 166.8077 11.49464 223.5401 18.40269 -56.73241      21.69759 
1 1 1 -2  6  25 o 55.23907 18.91576 -75.37489      54.27198 -95.03120     58.84480 36.55417       140.4198 36.55838 17.88720 73.91975 33.33574 -37.36137      37.83151 
1 1 1 -2  6  26 o 71.33897 18.33760 82.95747       43.64624 96.25319      47.58440 12.46020       109.5708 77.39534 21.86695 65.28262 29.44328 12.11272       36.67520 
1 1 1 -2  6  27 o 70.11751 17.97778 82.45141       40.97492 81.46886      47.63449 85.24695       80.34830 69.57547 22.38750 70.65955 28.13541 -1.084076      35.95555 
1 1 1 -2  6  28 o 73.91565 17.45403 118.0015       44.02747 134.7200      50.47767 64.83792       90.01375 86.22824 21.74444 61.60305 27.30847 24.62519       34.90807 
1 1 1 -2  6  29 o 45.43654 14.81066 21.98552       36.91209 24.91865      40.78319 8.698119       86.80318 43.43163 18.83764 47.44145 22.85971 -4.009827      29.62133 
1 1 1 -2  8  1  o 551.3708 5.873778 4092.728       87.17739 4027.383      121.4270 4162.237       125.2361 546.8325 8.246649 555.9092 8.366473 -9.076721      11.74756 
1 1 1 -2  8  2  o 1032.940 10.90583 14382.85       303.3252 14437.85      430.6198 14328.70       427.3323 1034.897 15.45302 1030.983 15.39327 3.914185       21.81166 
1 1 1 -2  8  3  o 781.2979 8.269315 8223.793       173.9671 8204.008      245.5241 8243.739       246.5322 780.3547 11.68473 782.2411 11.70441 -1.886475      16.53863 
1 1 1 -2  8  4  o 1184.542 12.49830 18916.63       398.6271 18811.93      560.6624 19023.66       566.8766 1181.232 17.62718 1187.852 17.72323 -6.619995      24.99661 
1 1 1 -2  8  5  o 1044.314 11.02557 14700.88       310.0364 14666.18      437.5253 14735.87       439.3961 1043.077 15.57770 1045.550 15.60731 -2.472900      22.05114 
1 1 1 -2  8  6  o 1221.624 12.89878 20117.44       424.1956 19858.66      592.1644 20390.20       607.9536 1213.569 18.12151 1229.678 18.36097 -16.10901      25.79757 
1 1 1 -2  8  7  o 330.2829 3.727287 1468.686       33.14573 1449.114      46.52715 1488.855       47.23106 328.0490 5.267255 332.5168 5.275101 -4.467743      7.454574 
1 1 1 -2  8  8  f 394.0692 4.363416 2091.162       46.29362 2089.207      66.01021 2093.054       64.94100 393.8872 6.223803 394.2511 6.117342 -0.3638306     8.726831 
1 1 1 -2  8  9  o 266.7073 4.667961 957.8201       33.52320 957.8201      33.52320 0.000000       0.000000 266.7073 4.667961 ?        ?        ?              ?        
1 1 1 -2  8  10 o 292.9208 3.478367 1155.023       27.41275 1165.137      39.65475 1145.766       37.93722 294.1475 5.006645 291.6942 4.830080 2.453247       6.956735 
1 1 1 -2  8  11 o 304.7050 5.087900 1250.499       41.74472 0.000000      0.000000 1250.499       41.74472 ?        ?        304.7050 5.087900 ?              ?        
1 1 1 -2  8  12 o 223.9764 3.141783 675.3011       18.93234 637.6243      26.41717 715.0869       27.14648 217.5562 4.509532 230.3967 4.375764 -12.84050      6.283566 
1 1 1 -2  8  13 o 160.1028 3.148689 345.2968       13.56929 358.5852      19.37163 332.4956       19.01313 163.1273 4.410177 157.0782 4.495255 6.049118       6.297379 
1 1 1 -2  8  14 o 78.15003 6.560271 82.42685       13.80493 82.42685      13.80493 0.000000       0.000000 78.15003 6.560271 ?        ?        ?              ?        
1 1 1 -2  8  15 o 211.2734 4.992235 601.8615       28.40032 0.000000      0.000000 601.8615       28.40032 ?        ?        211.2734 4.992235 ?              ?        
1 1 1 -2  8  16 o 621.0067 13.99365 5244.561       233.9973 0.000000      0.000000 5244.561       233.9973 ?        ?        621.0067 13.99365 ?              ?        
1 1 1 -2  8  17 o 443.7543 8.286577 2666.169       98.34151 2670.449      147.9879 2662.785       131.6016 443.9240 12.38039 443.5845 11.01796 0.3395081      16.57315 
1 1 1 -2  8  18 o 90.70715 11.77230 146.1209       20.49060 163.7936      22.72275 69.19524       47.40730 110.1742 7.659454 71.24014 22.26390 38.93401       23.54461 
1 1 1 -2  8  19 o 189.1410 6.522630 485.4927       28.06433 487.6314      32.07537 478.5099       57.95848 190.1839 6.263463 188.0981 11.44324 2.085785       13.04526 
1 1 1 -2  8  20 o 419.5337 6.623004 2345.021       68.09110 2298.316      80.60030 2461.440       127.2534 412.6761 7.253439 426.3913 11.08352 -13.71524      13.24601 
1 1 1 -2  8  21 f 104.9385 12.19337 172.0300       25.04444 182.9105      27.92264 127.2644       56.63758 116.2167 8.922873 93.66033 22.69571 22.55633       24.38673 
1 1 1 -2  8  22 o 74.53874 15.66585 68.61601       26.77985 63.77543      29.14963 94.80785       67.80585 66.79739 16.34093 82.28008 26.73292 -15.48269      31.33170 
1 1 1 -2  8  23 o 76.79102 17.57714 83.35538       35.12192 88.29697      38.08914 55.29482       90.76457 78.12097 18.40897 75.46105 29.94884 2.659920       35.15427 
1 1 1 -2  8  24 o 150.6445 27.38556 377.3302       110.4568 206.8524      222.0932 433.3563       127.3200 125.8254 47.68314 175.4636 26.94798 -49.63821      54.77112 
1 1 1 -2  8  25 o 77.93900 17.95275 91.55809       37.19757 94.70676      40.57769 74.98586       93.09251 79.36150 19.19773 76.51649 30.34224 2.845009       35.90549 
1 1 1 -2  8  26 o 64.65353 17.74482 48.74379       35.31079 42.30195      38.69185 80.84527       86.37282 55.45294 20.10501 73.85412 29.24557 -18.40118      35.48964 
1 1 1 -2  8  27 o 54.51967 16.02711 37.30960       36.88867 48.48591      41.34402 -6.323328      81.69034 56.06702 20.71096 52.97232 24.46487 3.094704       32.05423 
1 1 1 -2  8  28 o 46.44943 15.17470 10.09488       37.85170 8.083179      42.60611 17.62963       82.45647 41.62642 18.59909 51.27245 23.98248 -9.646038      30.34939 
1 1 1 -2  10 1  o 673.8220 7.162340 6115.105       129.9405 6161.754      185.2564 6069.931       182.3064 676.3499 10.17228 671.2942 10.08569 5.055725       14.32468 
1 1 1 -2  10 2  o 324.6151 3.633155 1418.858       31.75653 1413.129      44.81466 1424.637       45.00699 323.9568 5.137473 325.2733 5.138641 -1.316406      7.266310 
1 1 1 -2  10 3  o 134.5671 3.490255 243.8134       12.64677 0.000000      0.000000 243.8134       12.64677 ?        ?        134.5671 3.490255 ?              ?        
1 1 1 -2  10 4  o 711.0157 7.550293 6809.824       144.5326 6738.546      202.3613 6884.047       206.5014 707.2209 10.62647 714.8105 10.72874 -7.589661      15.10059 
1 1 1 -2  10 5  o 706.8240 7.511025 6724.423       142.8529 6576.137      197.6036 6886.763       206.7560 698.6737 10.50357 714.9743 10.73950 -16.30060      15.02205 
1 1 1 -2  10 6  o 1015.194 10.73622 13881.79       293.3156 14177.44      423.5414 13609.32       406.5988 1025.561 15.33737 1004.827 15.02767 20.73450       21.47244 
1 1 1 -2  10 7  o 718.1399 7.653732 6947.270       147.9785 6875.642      207.0911 7021.999       211.5257 714.3613 10.76615 721.9185 10.88157 -7.557251      15.30746 
1 1 1 -2  10 8  f 580.7669 8.841830 4543.859       138.2698 4543.859      138.2698 0.000000       0.000000 580.7669 8.841830 ?        ?        ?              ?        
1 1 1 -2  10 9  o 339.3958 3.910670 1547.583       35.63664 1599.504      52.76452 1504.035       48.32346 344.6136 5.686253 334.1779 5.370279 10.43570       7.821341 
1 1 1 -2  10 10 o 559.3386 6.058810 4207.353       91.09139 4039.171      124.3917 4401.831       133.7636 547.3299 8.440319 571.3473 8.694696 -24.01740      12.11762 
1 1 1 -2  10 11 o 75.04939 4.641007 74.99240       8.778032 78.58980      15.59502 73.32407       10.62018 76.33347 7.587306 73.76530 5.346829 2.568161       9.282015 
1 1 1 -2  10 12 o 400.2217 4.538971 2158.621       48.88705 2094.026      67.75691 2228.759       70.60445 393.9871 6.386872 406.4562 6.451117 -12.46909      9.077942 
1 1 1 -2  10 13 o 121.4732 3.499461 198.8004       11.43460 202.1036      16.60554 195.8216       15.76882 122.4289 5.037158 120.5174 4.859214 1.911476       6.998922 
1 1 1 -2  10 14 o 83.35934 4.945774 94.63393       10.94981 99.45331      14.56640 88.37228       16.60354 85.84371 6.301737 80.87496 7.624358 4.968750       9.891548 
1 1 1 -2  10 15 f 34.13089 9.009470 6.850023       11.93467 -5.201071     15.67227 23.48550       18.41350 25.80925 11.42026 42.45254 13.93771 -16.64329      18.01894 
1 1 1 -2  10 16 o 448.8580 5.216553 2717.619       63.03323 2663.100      87.96465 2775.159       90.36887 444.2363 7.353783 453.4796 7.400782 -9.243347      10.43311 
1 1 1 -2  10 17 o 105.0669 5.521485 141.9931       15.06732 124.4787      18.57239 175.7156       25.77089 96.05413 7.180727 114.0796 8.389539 -18.02546      11.04297 
1 1 1 -2  10 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10 19 f 423.5167 6.564915 2408.516       69.37923 2385.352      83.46924 2460.288       124.7871 420.4930 7.371982 426.5403 10.86491 -6.047302      13.12983 
1 1 1 -2  10 20 o 159.3943 7.150626 334.4466       25.13614 327.3633      28.20395 361.7964       55.42005 155.7037 6.727096 163.0849 12.62030 -7.381226      14.30125 
1 1 1 -2  10 21 o 104.3960 11.64562 153.5305       24.07977 154.0678      26.57452 151.0654       56.92409 106.5860 9.259382 102.2059 21.37160 4.380043       23.29123 
1 1 1 -2  10 22 o 217.8571 8.290648 681.8026       40.44283 712.3106      46.47113 586.5641       82.10747 229.3358 7.525372 206.3784 14.77526 22.95735       16.58130 
1 1 1 -2  10 23 o 157.2414 11.81021 336.9435       38.41171 314.9583      42.06065 447.4136       94.28286 149.0797 10.47789 165.4030 21.16928 -16.32327      23.62042 
1 1 1 -2  10 24 o 161.0634 13.88636 373.5573       43.14510 357.6785      46.73099 465.2723       112.3093 158.7589 10.93160 163.3680 25.53084 -4.609161      27.77271 
1 1 1 -2  10 25 o 65.99322 17.33445 63.18781       33.96060 67.08706      36.29143 35.72382       96.31526 65.79401 19.25683 66.19243 28.82892 -0.3984222     34.66890 
1 1 1 -2  10 26 o 79.16542 18.21154 80.61729       33.98681 63.29605      36.73039 183.7409       89.62209 62.76841 19.59394 95.56242 30.70373 -32.79401      36.42309 
1 1 1 -2  10 27 o 73.28986 16.30637 104.8539       34.07877 109.1423      37.45572 84.23669       82.12622 81.38651 17.60357 65.19321 27.45368 16.19329       32.61274 
1 1 1 -2  10 28 o 38.07256 13.08081 -20.00944      31.56764 -24.02454     34.89055 -1.891262      74.11684 31.24915 14.90603 44.89597 21.49977 -13.64682      26.16161 
1 1 1 -2  12 1  o 553.0466 5.937755 4119.713       88.42342 4117.230      125.0389 4122.197       125.0603 552.8798 8.399066 553.2133 8.395440 -0.3334961     11.87551 
1 1 1 -2  12 2  o 745.4650 7.926653 7484.827       159.0597 7599.224      228.4626 7377.215       221.5838 750.9860 11.29796 739.9440 11.12131 11.04193       15.85331 
1 1 1 -2  12 3  o 465.5029 5.065506 2918.308       63.49119 2928.684      90.23018 2908.131       89.35638 466.3220 7.185923 464.6838 7.141421 1.638184       10.13101 
1 1 1 -2  12 4  o 302.7054 3.535273 1233.133       28.79824 1254.212      41.58453 1213.708       39.92015 305.1889 5.060340 300.2219 4.938175 4.967041       7.070546 
1 1 1 -2  12 5  o 369.9813 4.131881 1842.981       41.15258 1863.397      59.00019 1823.638       57.42870 371.9754 5.890549 367.9873 5.795792 3.988129       8.263762 
1 1 1 -2  12 6  o 336.1572 5.448232 1521.847       49.31527 1521.847      49.31527 0.000000       0.000000 336.1572 5.448232 ?        ?        ?              ?        
1 1 1 -2  12 7  o 211.8270 4.184200 604.2623       23.86586 604.2623      23.86586 0.000000       0.000000 211.8270 4.184200 ?        ?        ?              ?        
1 1 1 -2  12 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12 9  o 324.3371 3.846637 1416.885       33.58513 1387.128      46.84746 1448.350       48.17339 320.8362 5.422747 327.8380 5.457132 -7.001892      7.693275 
1 1 1 -2  12 10 o 129.1070 3.644842 226.6945       12.14965 217.4570      20.08163 232.0281       15.25926 126.9907 5.872777 131.2232 4.318563 -4.232498      7.289684 
1 1 1 -2  12 11 o 147.3167 3.460403 295.1826       13.22604 282.4597      21.60011 302.8140       16.72879 144.7282 5.542675 149.9051 4.144430 -5.176926      6.920806 
1 1 1 -2  12 12 o 85.58524 5.222091 98.46848       11.24466 100.4315      19.90868 97.54888       13.62626 86.15272 8.582032 85.01777 5.952283 1.134949       10.44418 
1 1 1 -2  12 13 o 184.9643 3.406051 462.8296       16.78986 450.4300      25.45744 472.3752       22.33640 182.7421 5.173599 187.1865 4.431547 -4.444382      6.812102 
1 1 1 -2  12 14 o 151.1471 3.599661 307.4275       14.59888 314.4029      21.67413 301.6348       19.75143 152.7063 5.271099 149.5878 4.903646 3.118561       7.199321 
1 1 1 -2  12 15 o 407.2560 4.774257 2236.446       52.33820 2269.173      75.16119 2205.639       72.92427 410.1411 6.805766 404.3710 6.697438 5.770081       9.548514 
1 1 1 -2  12 16 o 199.4154 3.643393 536.1652       19.51898 539.2409      26.75786 532.6672       28.53587 200.0342 4.967795 198.7966 5.330878 1.237579       7.286786 
1 1 1 -2  12 17 o 349.9559 4.426919 1651.042       41.71447 1667.776      59.10458 1634.433       58.88239 351.7242 6.240732 348.1876 6.280421 3.536560       8.853837 
1 1 1 -2  12 18 o 222.1945 4.152053 666.9202       24.69706 679.1688      33.35318 652.0522       36.74675 224.4743 5.518071 219.9146 6.205567 4.559708       8.304106 
1 1 1 -2  12 19 o 136.4665 5.419824 257.7998       19.30370 282.6984      25.19588 222.4144       30.03683 144.7124 6.466068 128.2205 8.699880 16.49194       10.83965 
1 1 1 -2  12 20 o 107.9106 8.601340 157.7542       24.99273 157.7542      24.99273 0.000000       0.000000 107.9106 8.601340 ?        ?        ?              ?        
1 1 1 -2  12 21 o 155.4361 14.75870 341.3850       59.02948 331.6480      98.21021 346.8922       73.85982 152.6942 23.88640 158.1780 17.34119 -5.483795      29.51740 
1 1 1 -2  12 22 o 65.09976 17.13227 41.15355       30.85776 33.22839      33.51284 85.30785       79.10312 51.79598 18.72155 78.40355 28.69778 -26.60757      34.26455 
1 1 1 -2  12 23 o 61.29217 18.66245 8.731775       44.61296 6.631401      49.37642 18.06898       104.1069 50.40578 21.26011 72.17856 30.67827 -21.77277      37.32490 
1 1 1 -2  12 24 o 96.04053 16.80864 136.3746       34.20458 130.4325      37.12433 169.7552       87.99077 95.33185 14.46230 96.74922 30.34738 -1.417374      33.61728 
1 1 1 -2  12 25 o 102.6494 16.06323 206.7523       34.10571 222.2253      36.90664 116.2641       89.25108 125.6441 10.90885 79.65476 30.21765 45.98935       32.12646 
1 1 1 -2  12 26 o 90.74673 13.75495 184.6724       32.76143 219.7446      36.49594 39.13021       74.34599 123.7430 10.95319 57.75044 25.23534 65.99257       27.50990 
1 1 1 -2  12 27 o 45.75362 14.42383 22.95886       32.66565 26.82307      36.77765 8.519103       71.09412 44.31078 18.49676 47.19646 22.13724 -2.885677      28.84766 
1 1 1 -2  14 1  o 243.5089 3.125659 798.5862       20.49351 809.9722      29.04842 787.3035       28.91644 245.2373 4.398986 241.7804 4.441608 3.456863       6.251317 
1 1 1 -2  14 2  o 600.4368 6.460270 4860.726       104.4431 4888.881      148.5995 4833.238       146.8261 602.1522 9.164899 598.7213 9.107414 3.430908       12.92054 
1 1 1 -2  14 3  o 477.7600 5.221040 3076.375       67.16579 3081.723      95.16328 3071.067       94.81123 478.1732 7.390959 477.3468 7.376364 0.8263855      10.44208 
1 1 1 -2  14 4  o 266.2097 3.327392 954.0197       23.84272 932.7588      33.18007 976.7194       34.28444 263.1456 4.682717 269.2738 4.728458 -6.128204      6.654784 
1 1 1 -2  14 5  o 376.2615 4.253649 1907.752       43.08630 1923.462      61.68409 1892.786       60.20914 377.7704 6.064036 374.7525 5.966705 3.017975       8.507298 
1 1 1 -2  14 6  f 138.3598 3.228861 258.5413       11.99728 239.6603      17.10713 276.8148       16.82969 133.3727 4.763509 143.3470 4.360178 -9.974289      6.457722 
1 1 1 -2  14 7  o 229.4815 3.211052 708.5906       19.80998 726.5270      28.98506 692.8683       27.13722 232.1988 4.635867 226.7643 4.444340 5.434479       6.422104 
1 1 1 -2  14 8  o 530.7048 5.801867 3803.291       82.89117 3752.094      115.7585 3857.168       118.7503 527.0507 8.156751 534.3589 8.253125 -7.308228      11.60373 
1 1 1 -2  14 9  o 354.9036 4.176935 1697.750       39.89751 1741.109      57.51755 1657.540       55.38979 359.2632 5.945719 350.5441 5.868184 8.719086       8.353870 
1 1 1 -2  14 10 o 441.2441 4.984680 2621.505       59.06833 2744.025      87.43446 2518.639       80.11510 450.6640 7.205207 431.8242 6.890075 18.83972       9.969360 
1 1 1 -2  14 11 o 305.2169 3.830323 1257.055       31.45842 1244.329      45.19371 1269.016       43.81611 303.7058 5.526389 306.7280 5.305142 -3.022156      7.660647 
1 1 1 -2  14 12 o 207.9400 4.611195 582.7847       25.81873 0.000000      0.000000 582.7847       25.81873 ?        ?        207.9400 4.611195 ?              ?        
1 1 1 -2  14 13 o 203.3409 3.663170 552.5350       19.57483 578.9410      31.64003 536.1605       24.91551 207.2189 5.670536 199.4630 4.638996 7.755844       7.326340 
1 1 1 -2  14 14 o 214.6929 3.831348 621.6100       21.62629 620.0958      34.51629 622.5886       27.74812 214.4485 5.977475 214.9373 4.794446 -0.4888000     7.662696 
1 1 1 -2  14 15 o 81.00098 7.035815 87.38594       14.86355 93.61930      24.62628 83.81395       18.64202 83.20950 10.99113 78.79247 8.786682 4.417038       14.07163 
1 1 1 -2  14 16 o 256.8005 3.928035 885.8846       27.09578 929.5646      40.04450 848.9974       36.79930 262.6144 5.662926 250.9865 5.445099 11.62791       7.856070 
1 1 1 -2  14 17 o 263.3826 4.037891 935.2469       28.62929 934.3524      40.02179 936.1845       40.97075 263.2578 5.645883 263.5075 5.774276 -0.2496948     8.075783 
1 1 1 -2  14 18 o 82.99017 8.015300 93.49629       17.84774 93.10712      24.21935 93.95879       26.40281 82.83064 10.85896 83.14969 11.79251 -0.3190460     16.03060 
1 1 1 -2  14 19 o 139.8427 5.481919 262.3934       20.26123 253.4453      26.05778 276.0749       32.22098 136.9131 7.068202 142.7722 8.381304 -5.859100      10.96384 
1 1 1 -2  14 20 o 147.7648 6.613601 303.1577       25.06382 320.5426      31.55514 273.4428       41.25436 153.8500 7.617092 141.6795 10.81382 12.17049       13.22720 
1 1 1 -2  14 21 o 77.97238 13.35337 84.44809       26.94037 69.05801      33.41105 113.0510       45.54862 68.60562 17.89815 87.33914 19.82185 -18.73352      26.70674 
1 1 1 -2  14 22 o 75.36166 30.40857 44.96814       95.17740 0.000000      0.000000 44.96814       95.17740 ?        ?        75.36166 30.40857 ?              ?        
1 1 1 -2  14 23 o 54.43599 16.27332 13.11678       32.00873 3.793604      35.20297 57.60941       76.90266 41.20231 17.68343 67.66967 27.32362 -26.46736      32.54664 
1 1 1 -2  14 24 o 166.8254 9.333522 391.5651       32.23611 388.6778      35.65729 404.4824       75.42045 168.1548 7.875094 165.4961 16.92458 2.658646       18.66704 
1 1 1 -2  14 25 o 145.5204 11.46978 319.6726       33.11565 318.5224      36.40162 325.1944       79.75824 150.7536 8.967467 140.2873 21.11416 10.46626       22.93956 
1 1 1 -2  14 26 o 52.04204 14.36353 47.61164       31.05069 62.63348      34.44127 -17.61180      71.76611 58.89532 19.04534 45.18875 21.50626 13.70657       28.72707 
1 1 1 -2  16 1  o 128.5748 3.579567 223.3373       12.34348 228.9939      16.84938 216.7854       18.13396 130.3439 4.800759 126.8058 5.310925 3.538109       7.159135 
1 1 1 -2  16 2  o 186.8974 3.214363 471.2481       16.15882 485.6260      22.56819 456.1235       23.14683 189.8310 4.415158 183.9638 4.672783 5.867142       6.428726 
1 1 1 -2  16 3  o 240.6631 3.353312 780.1258       21.71639 766.9944      30.08047 794.4201       31.38423 238.5527 4.682920 242.7736 4.800945 -4.220825      6.706625 
1 1 1 -2  16 4  o 231.3343 3.310157 721.3034       20.61921 721.1937      29.15914 721.4131       29.16080 231.3167 4.681491 231.3519 4.681046 -0.3521729E-01 6.620313 
1 1 1 -2  16 5  o 180.7671 3.346026 439.9414       16.26489 450.2474      23.72821 430.8071       22.33867 182.7574 4.821773 178.7767 4.640481 3.980667       6.692051 
1 1 1 -2  16 6  o 164.5523 3.421615 364.3051       15.10402 373.8320      22.47199 356.4550       20.39882 166.5015 5.012335 162.6031 4.659001 3.898361       6.843230 
1 1 1 -2  16 7  o 346.2996 4.119685 1618.193       38.41445 1607.877      54.27013 1628.551       54.38252 345.1918 5.838711 347.4074 5.813489 -2.215546      8.239369 
1 1 1 -2  16 8  o 95.95518 5.415116 126.3852       13.70674 153.4949      19.22541 98.36059       19.54711 106.6273 6.696125 85.28301 8.512098 21.34434       10.83023 
1 1 1 -2  16 9  o 371.0174 4.376950 1856.682       43.71123 1898.267      62.85745 1817.740       60.82660 375.0328 6.224494 367.0019 6.155195 8.030945       8.753900 
1 1 1 -2  16 10 o 202.5639 5.117909 553.1732       27.91503 553.1732      27.91503 0.000000       0.000000 202.5639 5.117909 ?        ?        ?              ?        
1 1 1 -2  16 11 o 185.2994 3.877856 462.8872       19.34779 468.3210      27.39299 457.4780       27.33093 186.3857 5.458126 184.2131 5.509986 2.172607       7.755713 
1 1 1 -2  16 12 o 415.7191 4.834968 2325.756       53.99347 2409.088      79.66711 2254.961       73.43023 422.5698 7.001598 408.8683 6.669728 13.70157       9.669935 
1 1 1 -2  16 13 o 273.5212 5.292594 1008.285       38.98011 0.000000      0.000000 1008.285       38.98011 ?        ?        273.5212 5.292594 ?              ?        
1 1 1 -2  16 14 o 410.7400 6.710481 2274.880       74.21710 0.000000      0.000000 2274.880       74.21710 ?        ?        410.7400 6.710481 ?              ?        
1 1 1 -2  16 15 o 363.5452 4.578147 1783.523       44.73865 1755.766      64.92284 1808.624       61.73729 360.8314 6.682052 366.2589 6.260024 -5.427521      9.156294 
1 1 1 -2  16 16 o 261.2350 6.501386 921.2244       45.73205 921.2244      45.73205 0.000000       0.000000 261.2350 6.501386 ?        ?        ?              ?        
1 1 1 -2  16 17 o 350.0545 4.639562 1641.217       43.39388 1764.484      66.45676 1549.598       57.29406 361.3667 6.829795 338.7423 6.281404 22.62442       9.279123 
1 1 1 -2  16 18 o 137.7687 5.979780 256.7901       22.17084 268.2683      31.90347 246.0696       30.83255 140.7468 8.418137 134.7906 8.495059 5.956238       11.95956 
1 1 1 -2  16 19 o 173.3539 7.870603 407.2537       36.73880 407.2537      36.73880 0.000000       0.000000 173.3539 7.870603 ?        ?        ?              ?        
1 1 1 -2  16 20 o 41.28378 12.53339 -17.62621      27.69940 -60.83757     36.37930 41.98260       42.72780 28.51012 13.97366 54.05743 20.81059 -25.54730      25.06678 
1 1 1 -2  16 21 o 40.94492 12.70611 -60.88047      34.20060 29.35907      45.06386 -183.4622      52.52218 54.40784 21.25238 27.48200 13.93258 26.92585       25.41221 
1 1 1 -2  16 22 o 125.3535 8.290193 223.5984       26.71285 231.5333      33.57276 209.9071       44.10025 129.2635 9.645568 121.4436 13.48600 7.819923       16.58039 
1 1 1 -2  16 23 o 88.52959 10.87881 113.5089       24.19624 108.0635      29.90507 123.8309       41.17324 87.12299 12.74761 89.93618 17.63214 -2.813187      21.75762 
1 1 1 -2  16 24 o 94.47644 15.20058 136.4464       30.34507 128.2123      33.26858 177.2162       74.02789 93.51443 13.21211 95.43846 27.38012 -1.924034      30.40116 
1 1 1 -2  16 25 o 60.90448 17.90272 71.68810       53.28476 6.064161      80.17197 123.6138       71.31525 49.87070 23.42882 71.93826 27.07618 -22.06756      35.80544 
1 1 1 -2  18 1  o 236.6230 3.515293 754.9965       22.39157 752.7333      31.28296 757.3741       32.06442 236.2636 4.917311 236.9824 5.024858 -0.7188263     7.030587 
1 1 1 -2  18 2  o 149.6653 3.804607 300.6558       15.11104 293.5890      19.65675 310.8659       23.62745 147.5484 4.947590 151.7821 5.781132 -4.233643      7.609214 
1 1 1 -2  18 3  o 90.12062 5.470611 106.3753       13.06444 89.63960      16.79813 131.9940       20.78349 81.43301 7.660852 98.80824 7.811637 -17.37522      10.94122 
1 1 1 -2  18 4  o 138.7239 4.024627 257.3257       14.89065 243.9406      19.54657 275.8361       22.98622 134.4783 5.398026 142.9695 5.970913 -8.491241      8.049254 
1 1 1 -2  18 5  o 344.2359 4.142336 1598.417       38.39356 1597.674      54.59179 1599.144       54.00634 344.1530 5.891045 344.3187 5.825065 -0.1656799     8.284672 
1 1 1 -2  18 6  o 326.2709 4.039206 1435.572       35.48516 1439.599      50.39002 1431.611       49.97969 326.7233 5.727710 325.8185 5.696846 0.9048767      8.078411 
1 1 1 -2  18 7  o 220.2857 3.630571 654.2623       21.52538 650.8585      30.86257 657.4863       30.03717 219.7232 5.216424 220.8483 5.051050 -1.125107      7.261142 
1 1 1 -2  18 8  o 366.4231 4.403382 1810.258       43.44011 1785.386      60.80995 1836.176       62.07684 363.8555 6.206722 368.9906 6.247854 -5.135071      8.806764 
1 1 1 -2  18 9  o 478.5709 5.393123 3091.001       69.49675 3109.769      98.56414 3072.445       98.00474 480.0157 7.625707 477.1260 7.628349 2.889709       10.78625 
1 1 1 -2  18 10 o 415.6031 4.881921 2330.053       54.62661 2336.030      76.73569 2323.913       77.78233 416.1500 6.848006 415.0564 6.959700 1.093597       9.763842 
1 1 1 -2  18 11 o 238.5506 5.438280 766.9412       34.93216 766.9412      34.93216 0.000000       0.000000 238.5506 5.438280 ?        ?        ?              ?        
1 1 1 -2  18 12 o 99.93202 6.505115 134.9258       17.48903 137.1008      24.35194 132.6092       25.13298 100.7712 8.974568 99.09279 9.419300 1.678459       13.01023 
1 1 1 -2  18 13 o 255.6087 5.871640 880.7422       40.41276 880.7422      40.41276 0.000000       0.000000 255.6087 5.871640 ?        ?        ?              ?        
1 1 1 -2  18 14 o 230.3396 4.175569 710.8275       25.48258 743.2993      40.15807 688.9384       32.97111 234.6733 6.355151 226.0059 5.417893 8.667374       8.351138 
1 1 1 -2  18 15 o 165.0359 4.955723 377.5465       20.96413 334.6836      34.38680 402.9020       26.44762 157.2862 8.119284 172.7857 5.684542 -15.49948      9.911447 
1 1 1 -2  18 16 o 235.4224 5.418406 748.0551       34.34811 0.000000      0.000000 748.0551       34.34811 ?        ?        235.4224 5.418406 ?              ?        
1 1 1 -2  18 17 o 31.25892 14.92873 -46.10548      35.21837 -46.10548     35.21837 0.000000       0.000000 31.25892 14.92873 ?        ?        ?              ?        
1 1 1 -2  18 18 o 71.68579 12.58271 79.23541       26.02660 32.98622      43.18520 105.6155       32.61530 55.63662 21.04031 87.73495 13.80592 -32.09833      25.16541 
1 1 1 -2  18 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 20 o 109.7276 10.12390 177.3996       28.07993 127.1083      39.60760 228.2196       39.81523 92.03822 16.59222 127.4171 11.60482 -35.37885      20.24780 
1 1 1 -2  18 21 o 33.10711 10.88609 -25.05239      23.02303 -32.70864     30.03633 -14.14665      35.84815 29.42783 13.97851 36.78640 16.69218 -7.358564      21.77218 
1 1 1 -2  18 22 o 88.25270 10.62051 115.0769       24.32068 111.2675      31.70781 120.5209       37.90527 87.71790 13.42439 88.78749 16.46107 -1.069588      21.24103 
1 1 1 -2  18 23 o 55.39673 12.96307 48.00071       25.79871 76.34436      33.73340 8.064152       40.04216 68.15529 18.08297 42.63817 18.57878 25.51712       25.92614 
1 1 1 -2  18 24 o 122.6260 8.959290 225.5637       29.34121 195.5806      38.80165 265.6043       44.83968 113.1945 12.73038 132.0574 12.61003 -18.86287      17.91858 
1 1 1 -2  20 1  o 363.8657 4.398675 1783.765       43.05379 1750.516      59.35447 1820.684       62.54529 360.3003 6.117942 367.4311 6.321721 -7.130737      8.797350 
1 1 1 -2  20 2  o 127.9406 4.685539 221.7373       15.94453 227.2957      21.11890 214.3690       24.31542 129.8332 6.040906 126.0480 7.164114 3.785225       9.371078 
1 1 1 -2  20 3  o 436.6803 5.015004 2572.306       58.95243 2553.902      82.29855 2591.701       84.48716 435.0851 7.024810 438.2755 7.159128 -3.190399      10.03001 
1 1 1 -2  20 4  o 181.7803 3.999517 446.8311       19.50611 465.5737      26.83834 425.8448       28.39942 185.8456 5.363152 177.7151 5.934741 8.130539       7.999034 
1 1 1 -2  20 5  o 609.5706 6.671010 5021.036       109.4910 5056.131      155.7698 4986.764       153.9338 611.6701 9.457637 607.4709 9.410771 4.199158       13.34202 
1 1 1 -2  20 6  o 84.41646 7.139863 96.29438       16.22664 98.09145      23.20363 94.57438       22.70052 85.18641 10.11585 83.64651 10.07870 1.539902       14.27973 
1 1 1 -2  20 7  o 577.5392 6.369073 4503.703       99.04648 4490.562      139.8090 4516.943       140.3382 576.6942 9.003393 578.3843 9.011065 -1.690125      12.73815 
1 1 1 -2  20 8  o 536.4429 5.979765 3883.808       86.37521 3874.765      121.9358 3892.915       122.3714 535.8170 8.451450 537.0688 8.461876 -1.251770      11.95953 
1 1 1 -2  20 9  o 295.3865 4.189634 1171.654       33.22012 1122.465      44.90467 1231.120       49.37331 288.5734 5.778989 302.1997 6.067570 -13.62637      8.379268 
1 1 1 -2  20 10 o 414.2566 6.935467 2314.471       77.36215 2314.471      77.36215 0.000000       0.000000 414.2566 6.935467 ?        ?        ?              ?        
1 1 1 -2  20 11 o 436.7159 5.181216 2574.835       60.90315 2587.808      85.05418 2561.184       87.24784 437.8625 7.213973 435.5693 7.438991 2.293243       10.36243 
1 1 1 -2  20 12 o 475.1421 5.525532 3050.159       70.65900 3020.262      98.19659 3082.260       101.7521 472.7517 7.714005 477.5325 7.913288 -4.780762      11.05106 
1 1 1 -2  20 13 o 53.86248 11.69328 38.64767       19.48684 55.94152      27.55424 21.34298       27.56287 62.65769 16.20904 45.06728 16.85819 17.59041       23.38657 
1 1 1 -2  20 14 o 76.53265 9.846033 84.33916       18.77241 72.57942      31.12122 91.06534       23.53648 71.21881 16.54455 81.84650 10.67967 -10.62769      19.69207 
1 1 1 -2  20 15 o 310.5008 6.257155 1302.779       52.31462 0.000000      0.000000 1302.779       52.31462 ?        ?        310.5008 6.257155 ?              ?        
1 1 1 -2  20 16 o 58.68399 13.07061 50.08146       23.53896 18.34863      44.71987 62.24276       27.68446 51.48782 20.81987 65.88016 15.80812 -14.39234      26.14122 
1 1 1 -2  20 17 o 81.63341 22.54339 101.5909       51.18698 101.5909      51.18698 0.000000       0.000000 81.63341 22.54339 ?        ?        ?              ?        
1 1 1 -2  20 18 o 27.11915 9.675432 -137.8147      32.30179 -161.9267     51.68282 -122.3583      41.37943 28.26737 14.27134 25.97092 13.06847 2.296448       19.35086 
1 1 1 -2  20 19 o 42.29071 12.24080 5.737823       23.77357 -19.28706     33.33509 31.63978       33.91422 34.35710 15.78037 50.22432 18.71708 -15.86722      24.48161 
1 1 1 -2  20 20 o 77.17952 11.59147 90.09489       23.71654 70.94819      34.94266 106.4492       32.29419 67.92558 18.57175 86.43346 13.87584 -18.50789      23.18294 
1 1 1 -2  20 21 o 70.83900 13.13804 78.31706       25.72877 107.4855      39.35075 56.53662       34.00398 82.13419 18.26524 59.54381 18.88952 22.59037       26.27609 
1 1 1 -2  20 22 o 41.57135 12.71064 7.576626       27.04563 -13.70334     39.85302 25.74379       36.82301 37.12988 17.12700 46.01282 18.78583 -8.882942      25.42129 
1 1 1 -2  20 23 o 38.32814 12.40445 0.6764176      28.83178 -4.929356     40.83489 6.249043       40.71397 37.22091 17.22771 39.43538 17.85183 -2.214470      24.80890 
1 1 1 -2  22 1  o 921.2094 9.920039 11492.43       245.8585 11229.75      339.3881 11782.49       356.6464 910.2260 13.84727 932.1929 14.20852 -21.96692      19.84008 
1 1 1 -2  22 2  o 274.2657 4.157934 1014.992       30.61324 1027.824      41.84343 1000.213       44.90596 276.1469 5.627347 272.3845 6.122632 3.762390       8.315867 
1 1 1 -2  22 3  o 577.3832 6.408674 4501.097       99.62834 4474.443      139.8828 4528.537       141.9310 575.6558 9.024393 579.1106 9.101909 -3.454773      12.81735 
1 1 1 -2  22 4  o 266.9695 4.039683 959.5754       29.00051 940.2966      39.82888 981.3301       42.30925 264.1249 5.600223 269.8140 5.823545 -5.689056      8.079367 
1 1 1 -2  22 5  o 165.9296 4.645116 372.1282       20.59578 378.6594      27.61355 363.9394       30.91969 167.5915 6.119090 164.2677 6.990362 3.323837       9.290233 
1 1 1 -2  22 6  o 150.6005 4.926275 305.7259       19.96544 300.4974      27.68246 311.3940       28.82287 149.2626 6.887637 151.9384 7.045084 -2.675812      9.852551 
1 1 1 -2  22 7  o 418.8574 4.974363 2367.391       56.09410 2324.986      78.48763 2411.665       80.19810 415.0263 7.023316 422.6884 7.046288 -7.662048      9.948726 
1 1 1 -2  22 8  o 342.2864 4.465589 1581.056       41.15408 1562.505      57.73122 1600.222       58.68175 340.2473 6.301338 344.3256 6.329224 -4.078308      8.931177 
1 1 1 -2  22 9  o 441.1331 5.211993 2626.858       61.86451 2560.731      85.52888 2699.418       89.59174 435.3330 7.296386 446.9332 7.444610 -11.60013      10.42399 
1 1 1 -2  22 10 o 339.5477 4.574841 1557.488       41.80773 1561.495      58.28101 1553.240       60.00687 340.0155 6.365682 339.0798 6.572273 0.9356689      9.149682 
1 1 1 -2  22 11 o 137.5016 6.019447 257.7899       22.09096 271.5368      29.84716 241.1367       32.85109 141.6472 7.825493 133.3559 9.148587 8.291245       12.03889 
1 1 1 -2  22 12 o 108.0406 7.772746 159.4972       22.49770 148.0985      32.70167 169.7402       30.99963 104.2921 11.64488 111.7891 10.29850 -7.496948      15.54549 
1 1 1 -2  22 13 o 174.7866 8.644594 414.5667       40.68517 414.5667      40.68517 0.000000       0.000000 174.7866 8.644594 ?        ?        ?              ?        
1 1 1 -2  22 14 o 66.27748 12.47711 63.54814       25.63788 17.13977      38.20401 101.5718       34.58100 48.13423 19.32065 84.42074 15.79322 -36.28651      24.95422 
1 1 1 -2  22 15 o 132.7884 11.35513 239.7392       40.60090 0.000000      0.000000 239.7392       40.60090 ?        ?        132.7884 11.35513 ?              ?        
1 1 1 -2  22 16 o 34.34122 11.45477 -55.35215      30.40446 -137.8018     50.38506 -8.135017      38.12915 29.07285 14.60102 39.60959 17.65382 -10.53673      22.90954 
1 1 1 -2  22 17 o 50.30305 13.45466 30.55941       24.43770 25.08279      41.28083 33.51418       30.32170 50.44363 20.14135 50.16248 17.84480 0.2811508      26.90931 
1 1 1 -2  22 18 o 40.24392 12.52966 -3.670604      25.10150 4.402633      42.74917 -7.918809      31.01035 44.84529 19.36851 35.64255 15.90066 9.202740       25.05933 
1 1 1 -2  22 19 o 108.3225 9.655915 176.7931       25.76904 152.3456      44.60314 189.0417       31.57117 100.6723 16.45401 115.9727 10.11001 -15.30038      19.31183 
1 1 1 -2  22 20 o 110.8654 11.23091 203.4788       28.28698 152.5192      49.84147 227.6920       34.35611 95.23098 20.06990 126.4998 10.08627 -31.26884      22.46183 
1 1 1 -2  22 21 o 75.90495 13.53478 108.6360       28.34534 80.57413      45.27662 126.7237       36.35022 63.95217 21.86925 87.85773 15.95296 -23.90556      27.06956 
1 1 1 -2  22 22 f 82.92197 14.21523 133.4379       31.18942 143.0385      47.52564 126.1752       41.33620 84.28522 21.01375 81.55870 19.14974 2.726524       28.43045 
1 1 1 -2  24 1  o 233.9697 4.297804 738.8388       27.02541 735.9246      37.06559 742.1466       39.48881 233.4962 5.895324 234.4432 6.255369 -0.9470062     8.595609 
1 1 1 -2  24 2  o 211.5884 4.476559 600.1271       25.27364 573.6307      33.26295 636.3168       38.87409 206.1366 5.992695 217.0402 6.651760 -10.90363      8.953117 
1 1 1 -2  24 3  o 249.9402 4.302294 842.8327       28.85249 836.3015      39.12107 850.6223       42.72368 248.9074 5.836997 250.9729 6.322057 -2.065491      8.604588 
1 1 1 -2  24 4  o 147.5291 5.200957 290.7744       20.48693 268.8457      26.93505 320.8735       31.55645 141.0304 7.092862 154.0276 7.608623 -12.99721      10.40191 
1 1 1 -2  24 5  o 132.8489 5.631399 238.7186       20.06272 237.4577      27.14373 240.2370       29.78594 132.4923 7.608435 133.2054 8.304357 -0.7131042     11.26280 
1 1 1 -2  24 6  o 213.5500 4.425607 616.0745       25.43923 618.3442      35.54605 613.6913       36.42298 213.9632 6.169769 213.1368 6.346491 0.8264313      8.851214 
1 1 1 -2  24 7  o 209.4777 4.625396 590.6959       26.03835 630.0635      38.30661 556.8840       35.50082 215.9360 6.588179 203.0194 6.494077 12.91655       9.250792 
1 1 1 -2  24 8  o 96.93672 8.747120 128.5139       22.52621 156.1434      32.45430 102.8292       31.29125 107.1274 11.25093 86.74603 13.39646 20.38138       17.49424 
1 1 1 -2  24 9  o 145.0036 8.719737 285.2621       34.04597 285.2621      34.04597 0.000000       0.000000 145.0036 8.719737 ?        ?        ?              ?        
1 1 1 -2  24 10 o 68.24934 12.40299 64.44938       24.79305 28.28131      34.00912 105.4741       36.22061 50.48036 18.75691 86.01831 16.23316 -35.53795      24.80599 
1 1 1 -2  24 11 o 377.6972 7.077264 1933.295       71.97680 1933.295      71.97680 0.000000       0.000000 377.6972 7.077264 ?        ?        ?              ?        
1 1 1 -2  24 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  24 13 o 95.13579 19.14303 129.4755       47.34040 129.4755      47.34040 0.000000       0.000000 95.13579 19.14303 ?        ?        ?              ?        
1 1 1 -2  24 14 o 224.8372 5.353630 679.9964       32.16476 772.5887      49.32605 611.4986       42.42553 237.9155 7.699637 211.7590 7.440498 26.15646       10.70726 
1 1 1 -2  24 15 o 67.25993 16.17108 68.44917       28.92657 0.000000      0.000000 68.44917       28.92657 ?        ?        67.25993 16.17108 ?              ?        
1 1 1 -2  24 16 o 80.68648 12.15402 84.88142       24.12085 144.2630      45.23575 61.28969       28.51255 97.69518 17.85383 63.67778 16.49611 34.01740       24.30804 
1 1 1 -2  24 17 o 40.79686 12.60265 3.047099       26.03252 -14.24352     43.92275 12.40992       32.32121 40.07120 18.29579 41.52252 17.33699 -1.451317      25.20530 
1 1 1 -2  24 18 o 93.76360 11.66310 135.3638       27.07766 144.6619      46.97513 130.7370       33.13672 93.37701 19.32002 94.15019 13.07088 -0.7731781     23.32619 
1 1 1 -2  24 19 o 38.76006 12.10243 -1.657213      27.39309 -59.73983     48.14722 26.14278       33.30968 33.22315 16.23935 44.29698 17.94878 -11.07383      24.20486 
1 1 1 -2  24 20 o 51.86124 14.58987 50.15461       28.71338 69.39444      51.78057 41.61159       34.50422 55.77536 22.45594 47.94713 18.63298 7.828228       29.17974 
1 1 1 -2  26 1  o 297.6610 4.746934 1198.692       37.77666 1199.628      50.52087 1197.506       56.89363 297.8773 6.298688 297.4448 7.103524 0.4324646      9.493868 
1 1 1 -2  26 2  o 185.6507 5.583147 473.1538       27.03500 493.7097      34.64539 441.1475       43.23094 191.0391 6.735034 180.2624 8.906482 10.77672       11.16629 
1 1 1 -2  26 3  o 311.0203 4.824486 1305.206       40.23167 1272.823      54.15706 1345.084       60.09792 306.7847 6.555985 315.2558 7.079669 -8.471130      9.648972 
1 1 1 -2  26 4  o 100.3066 11.94809 137.4310       32.27091 137.4310      32.27091 0.000000       0.000000 100.3066 11.94809 ?        ?        ?              ?        
1 1 1 -2  26 5  o 80.08490 11.49189 91.53869       24.22135 103.0092      33.06191 78.25034       35.58546 86.57850 14.18190 73.59130 18.08668 12.98720       22.98379 
1 1 1 -2  26 6  o 246.0156 5.092858 818.9258       33.54730 793.3424      44.82563 851.4993       50.57998 241.7589 6.885896 250.2723 7.505548 -8.513382      10.18572 
1 1 1 -2  26 7  o 465.9749 5.873653 3000.062       73.66745 2993.453      102.6818 3007.072       105.7489 465.6127 8.190024 466.3372 8.421561 -0.7245483     11.74731 
1 1 1 -2  26 8  o 174.6723 9.898229 413.3778       46.55484 413.3778      46.55484 0.000000       0.000000 174.6723 9.898229 ?        ?        ?              ?        
1 1 1 -2  26 9  o 281.4287 8.001451 1071.095       60.63460 1071.095      60.63460 0.000000       0.000000 281.4287 8.001451 ?        ?        ?              ?        
1 1 1 -2  26 10 o 315.4426 7.068236 1373.382       60.03642 1373.382      60.03642 0.000000       0.000000 315.4426 7.068236 ?        ?        ?              ?        
1 1 1 -2  26 11 o 27.16605 9.522307 -82.96948      26.26066 -84.49001     36.55392 -81.34769      37.75138 26.64672 13.23325 27.68538 13.69593 -1.038668      19.04461 
1 1 1 -2  26 12 o 208.5822 7.760465 597.2115       43.58614 597.2115      43.58614 0.000000       0.000000 208.5822 7.760465 ?        ?        ?              ?        
1 1 1 -2  26 13 o 60.77917 18.96643 55.84299       34.41877 0.000000      0.000000 55.84299       34.41877 ?        ?        60.77917 18.96643 ?              ?        
1 1 1 -2  26 14 o 94.68871 11.11494 136.8169       26.96428 104.3295      38.49089 168.1243       37.78541 81.40315 18.03506 107.9743 12.99632 -26.57111      22.22989 
1 1 1 -2  26 15 o 50.55286 13.83081 34.26908       26.93257 26.99493      37.84444 41.73388       38.33714 47.89154 19.22729 53.21417 19.88659 -5.322628      27.66162 
1 1 1 -2  26 16 o 36.76413 11.84992 -20.91431      27.01823 16.78994      40.00231 -52.54328      36.63806 44.27287 18.92163 29.25539 14.27076 15.01748       23.69985 
1 1 1 -2  26 17 o 37.70360 12.16525 -3.205423      26.91263 7.125713      42.00816 -10.39762      35.05020 40.85959 18.34702 34.54761 15.97998 6.311981       24.33049 
1 1 1 -2  26 18 o 40.44518 12.63468 -0.9832523     27.88046 51.49209      44.49490 -34.90504      35.77437 50.99869 20.71631 29.89167 14.46979 21.10702       25.26936 
1 1 1 -2  28 1  o 55.23656 13.04699 32.05305       23.84403 6.286134      29.16797 83.95872       41.39829 38.35243 16.26708 72.12068 20.40290 -33.76825      26.09398 
1 1 1 -2  28 2  o 81.26250 20.11871 104.3154       43.78848 0.000000      0.000000 104.3154       43.78848 ?        ?        81.26250 20.11871 ?              ?        
1 1 1 -2  28 3  o 110.1130 9.686835 177.1517       27.60598 208.0779      36.82846 137.4903       41.70652 122.3309 11.18057 97.89502 15.82195 24.43588       19.37367 
1 1 1 -2  28 4  o 61.57224 13.44254 55.74086       26.44635 78.61780      34.74389 24.22726       40.77824 72.59933 17.88892 50.54516 20.06973 22.05417       26.88508 
1 1 1 -2  28 5  o 131.9071 7.839372 240.5357       27.30503 239.2258      35.30221 242.4862       43.07883 131.8133 9.946250 132.0009 12.12003 -0.1876068     15.67874 
1 1 1 -2  28 6  o 38.17376 11.98466 -19.84135      24.68869 -42.25302     31.10523 18.31643       40.58708 28.53962 13.73475 47.80789 19.64395 -19.26827      23.96932 
1 1 1 -2  28 7  o 55.03613 12.97921 31.81098       24.78598 1.059101      31.60758 80.92069       39.94287 38.33495 16.60536 71.73730 19.95248 -33.40234      25.95842 
1 1 1 -2  28 8  o 102.2182 9.692109 150.4080       25.84535 156.4633      33.20088 141.0949       41.17455 105.6223 11.67375 98.81403 15.47486 6.808289       19.38422 
1 1 1 -2  28 9  o 62.06327 14.06758 55.58155       26.50531 41.30005      34.16142 77.18293       42.01357 54.06739 18.96956 70.05915 20.77843 -15.99176      28.13516 
1 1 1 -2  28 10 o 114.9976 8.899373 186.2844       27.18230 170.3042      35.13231 210.1184       42.90562 109.3160 11.93547 120.6792 13.20379 -11.36311      17.79875 
1 1 1 -2  28 11 o 97.27222 11.79141 148.1710       28.27926 156.3986      35.29639 133.4221       47.25776 104.0839 12.59400 90.46058 19.93842 13.62328       23.58282 
1 1 1 -2  28 12 o 159.3122 7.803790 366.0209       31.63185 370.9542      39.11446 356.6964       53.77538 162.5520 8.936379 156.0723 12.79600 6.479706       15.60758 
1 1 1 -2  28 13 o 48.71455 14.08566 31.29899       29.78529 42.23048      36.97587 11.09694       50.26624 51.63944 19.48340 45.78965 20.34748 5.849785       28.17132 
1 1 1 -2  28 14 o 33.80534 11.30026 -33.82716      28.97228 1.921160      37.78475 -84.83379      45.13382 38.44976 17.32045 29.16092 14.51846 9.288839       22.60052 
1 1 1 -2  28 15 o 51.92383 14.31219 51.46905       28.83429 38.19361      38.27222 68.89619       43.85028 46.95339 19.15884 56.89427 21.26719 -9.940880      28.62437 
1 1 1 -2  30 1  o 86.98844 11.36637 119.2717       24.72997 133.0147      31.48056 97.12197       39.96559 96.37741 12.13064 77.59947 19.22562 18.77794       22.73273 
1 1 1 -2  30 2  o 51.52891 12.64552 37.48237       23.78645 59.45570      30.93635 5.707298       37.20185 61.36354 17.72779 41.69428 18.03778 19.66926       25.29103 
1 1 1 -2  30 3  o 78.39450 12.03786 102.1039       25.00723 127.4665      32.27093 63.98171       39.56433 93.98180 12.75218 62.80721 20.42112 31.17458       24.07572 
1 1 1 -2  30 4  o 31.87220 10.66908 -29.85389      23.85262 -23.60880     30.30334 -40.02473      38.67226 30.93038 14.49018 32.81401 15.66371 -1.883631      21.33816 
1 1 1 -2  30 5  o 99.23362 10.33402 139.4904       25.58140 89.40946      32.73422 218.0609       41.00107 75.59931 16.54037 122.8679 12.39291 -47.26862      20.66805 
1 1 1 -2  30 6  o 102.9206 10.80560 176.5637       25.90252 229.1160      33.79049 101.6802       40.33593 127.3404 9.854737 78.50089 19.23353 48.83948       21.61121 
1 1 1 -2  30 7  o 42.14259 12.54608 13.27468       23.14744 8.184390      28.54458 23.05067       39.55787 37.75933 16.05681 46.52586 19.28201 -8.766529      25.09217 
1 1 1 -2  30 8  o 55.75618 13.39594 46.00779       24.74426 23.96867      31.77475 79.96741       39.44268 44.06384 17.64365 67.44852 20.16201 -23.38468      26.79189 
1 1 1 -2  30 9  o 87.25621 11.53562 124.4796       25.91854 131.5773      33.97668 114.6006       40.08463 92.91608 13.58022 81.59634 18.65100 11.31973       23.07124 
1 1 1 -2  30 10 o 85.27242 19.73470 133.1070       44.41576 0.000000      0.000000 133.1070       44.41576 ?        ?        85.27242 19.73470 ?              ?        
1 1 1 -2  30 11 o 35.86147 11.82290 -7.730200      27.39644 -3.926413     34.56791 -14.15492      44.92544 34.95415 16.06011 36.76880 17.35503 -1.814648      23.64581 
1 1 1 -2  32 1  o 41.09191 12.62736 17.85664       24.83605 14.88438      30.45803 23.75435       42.90425 38.39485 16.46270 43.78897 19.15152 -5.394123      25.25473 
1 1 1 -2  32 2  o 36.84304 11.82886 -3.648103      25.69718 -23.47311     34.12445 22.31997       39.05519 31.04726 14.79085 42.63882 18.46399 -11.59156      23.65773 
1 1 1 -2  32 3  o 40.20142 12.38789 8.218042       25.53678 -14.44921     33.08269 41.63583       40.16893 32.16557 15.09155 48.23726 19.64902 -16.07168      24.77578 
1 1 1 -2  32 4  f 37.38583 11.92421 4.396748       25.74010 14.60190      33.59568 -10.10917      40.05404 39.07032 17.02110 35.70134 16.70417 3.368984       23.84842 
1 1 1 -2  32 5  o 41.81786 12.66962 16.85504       25.25486 -0.6668760    32.20259 44.85013       40.70437 34.62051 15.75220 49.01521 19.84805 -14.39470      25.33923 
1 1 1 -1  1  1  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  2  f 9.278134 3.988475 -0.1708651     1.796030 -0.1708651    1.796030 0.000000       0.000000 9.278134 3.988475 ?        ?        ?              ?        
1 1 1 -1  1  3  o 1958.499 41.45568 51968.41       2186.204 0.000000      0.000000 51968.41       2186.204 ?        ?        1958.499 41.45568 ?              ?        
1 1 1 -1  1  4  o 531.7967 8.018705 3808.626       114.8242 0.000000      0.000000 3808.626       114.8242 ?        ?        531.7967 8.018705 ?              ?        
1 1 1 -1  1  5  o 1020.750 13.19073 14151.81       345.8336 14400.13      430.9218 13702.44       579.6808 1033.664 15.48231 1007.836 21.36070 25.82782       26.38146 
1 1 1 -1  1  6  o 1113.497 16.77602 16725.84       502.9920 16725.84      502.9920 0.000000       0.000000 1113.497 16.77602 ?        ?        ?              ?        
1 1 1 -1  1  7  o 401.4742 6.574459 2159.118       70.82195 2031.300      95.38490 2316.154       105.7262 388.3120 9.122532 414.6364 9.469606 -26.32434      13.14892 
1 1 1 -1  1  8  o 700.2823 9.360216 6634.036       168.2951 6520.489      283.4684 6695.845       209.1437 695.5466 15.13544 705.0182 11.01694 -9.471619      18.72043 
1 1 1 -1  1  9  o 333.6570 5.254653 1511.492       45.76293 1551.353      58.39685 1448.056       73.66890 339.4165 6.389593 327.8974 8.343779 11.51904       10.50931 
1 1 1 -1  1  10 o 226.7248 4.550716 691.2462       27.73420 676.1135      37.95503 708.5828       40.62513 224.0676 6.290815 229.3820 6.577365 -5.314468      9.101433 
1 1 1 -1  1  11 o 700.4338 7.827623 6571.467       147.0657 7040.192      220.0605 6193.170       197.6968 722.8623 11.30585 678.0052 10.82887 44.85706       15.65525 
1 1 1 -1  1  12 o 320.6308 5.181759 1385.202       44.68304 1394.853      61.81190 1374.639       64.66749 321.8048 7.133393 319.4568 7.517794 2.348022       10.36352 
1 1 1 -1  1  13 o 423.7532 7.957123 2420.344       90.79301 2420.344      90.79301 0.000000       0.000000 423.7532 7.957123 ?        ?        ?              ?        
1 1 1 -1  1  14 o 541.5704 6.677158 3959.209       97.34450 4092.095      138.8533 3830.774       136.5084 550.5168 9.367038 532.6239 9.518213 17.89294       13.35432 
1 1 1 -1  1  15 f 279.3859 5.891663 1052.068       44.25423 1136.877      64.23111 975.4288       61.05916 290.0913 8.222943 268.6805 8.439784 21.41086       11.78333 
1 1 1 -1  1  16 o 190.1629 7.513626 492.4913       38.29683 448.9620      54.99278 533.4799       53.36374 181.8897 11.22830 198.4360 9.987168 -16.54626      15.02725 
1 1 1 -1  1  17 o 134.3822 10.08760 242.1720       36.20572 288.6418      54.89805 206.4015       48.16528 145.6497 13.99794 123.1147 14.52917 22.53496       20.17521 
1 1 1 -1  1  18 o 142.8622 11.35046 280.1597       41.65273 269.6809      69.62269 286.0009       51.98149 140.5205 18.40042 145.2040 13.29496 -4.683502      22.70091 
1 1 1 -1  1  19 o 145.6636 11.73158 282.6253       45.28834 322.2158      72.19916 256.9424       58.15127 153.8206 17.43148 137.5067 15.70550 16.31384       23.46315 
1 1 1 -1  1  20 o 289.4956 8.141669 1125.419       62.18631 1173.771      99.24689 1094.165       79.79196 294.4556 12.51739 284.5356 10.41452 9.920013       16.28334 
1 1 1 -1  1  21 o 117.6395 16.25850 215.2666       48.50327 121.5109      76.15973 279.2409       62.91139 92.38136 28.10746 142.8976 16.35012 -50.51627      32.51701 
1 1 1 -1  1  22 o 266.9413 8.895776 953.7153       63.13302 1082.751      99.34828 866.3120       81.76537 281.6695 13.09897 252.2130 12.03978 29.45648       17.79155 
1 1 1 -1  1  23 o 134.3684 17.16814 257.1924       60.59205 296.7625      89.99360 224.3795       81.95028 145.1123 23.03159 123.6245 25.46616 21.48778       34.33627 
1 1 1 -1  1  24 o 200.7687 14.17164 575.0439       76.07185 535.6888      111.6783 609.1115       103.9055 193.5913 21.42394 207.9462 18.55684 -14.35489      28.34329 
1 1 1 -1  1  25 o 70.27020 22.81924 -66.17213      98.98110 -28.98655     141.2627 -102.0375      138.7324 74.48397 33.52723 66.05642 30.96442 8.427551       45.63847 
1 1 1 -1  1  26 o 79.90659 23.03731 102.2421       79.79977 62.70609      116.6422 137.0289       109.4123 73.44848 31.85727 86.36470 33.28640 -12.91622      46.07462 
1 1 1 -1  1  27 o 64.53604 19.91682 46.97021       65.03433 50.78992      97.15981 43.86972       87.53605 65.80166 28.79849 63.27042 27.52028 2.531235       39.83364 
1 1 1 -1  1  28 o 52.20148 16.50764 -28.24446      44.49548 114.1484      84.47765 -82.91512      52.34497 71.26221 28.68563 33.14074 16.34452 38.12146       33.01527 
1 1 1 -1  1  29 o 42.41573 13.41565 17.19878       31.43822 23.59383      45.36580 11.28997       43.60706 43.93180 19.43512 40.89966 18.49852 3.032143       26.83131 
1 1 1 -1  3  1  o 860.9467 18.15143 9991.255       420.7950 9991.255      420.7950 0.000000       0.000000 860.9467 18.15143 ?        ?        ?              ?        
1 1 1 -1  3  2  o 1063.839 11.21584 15241.75       321.1396 14955.86      446.0878 15549.33       462.6868 1053.498 15.72546 1074.180 15.99656 -20.68201      22.43167 
1 1 1 -1  3  3  o 1296.107 19.31505 22654.82       674.0934 0.000000      0.000000 22654.82       674.0934 ?        ?        1296.107 19.31505 ?              ?        
1 1 1 -1  3  4  o 156.9276 2.741196 331.5630       11.58305 0.000000      0.000000 331.5630       11.58305 ?        ?        156.9276 2.741196 ?              ?        
1 1 1 -1  3  5  o 767.0050 11.48189 7926.541       237.1346 7926.541      237.1346 0.000000       0.000000 767.0050 11.48189 ?        ?        ?              ?        
1 1 1 -1  3  6  o 465.2314 7.057028 2915.185       88.40447 0.000000      0.000000 2915.185       88.40447 ?        ?        465.2314 7.057028 ?              ?        
1 1 1 -1  3  7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  8  o 879.5364 11.47041 10386.60       254.4593 10311.50      309.1732 10544.27       447.9951 874.8100 13.12517 884.2627 18.81519 -9.452698      22.94082 
1 1 1 -1  3  9  o 666.7988 8.774741 6006.580       148.9521 6040.580      183.2159 5940.299       255.8076 669.6674 10.16063 663.9302 14.30895 5.737244       17.54948 
1 1 1 -1  3  10 o 1177.139 14.43201 18751.90       398.8820 18809.45      462.6258 18585.17       787.4551 1181.314 14.54390 1172.964 24.93203 8.350098       28.86401 
1 1 1 -1  3  11 o 729.3137 9.844410 6963.293       176.5798 6681.275      208.5891 7676.522       331.7179 704.1780 11.00084 754.4493 16.32884 -50.27124      19.68882 
1 1 1 -1  3  12 o 118.7751 8.544909 192.3558       26.70727 179.3853      41.71689 201.3640       34.76577 115.3232 13.43420 122.2269 10.56335 -6.903694      17.08982 
1 1 1 -1  3  13 o 151.6498 7.294824 304.9930       29.41111 343.7380      46.26441 278.7147       38.10117 159.5763 10.76701 143.7234 9.845264 15.85286       14.58965 
1 1 1 -1  3  14 o 400.9772 6.450096 2174.963       68.24399 2188.481      88.27834 2154.887       107.5828 402.6590 8.142043 399.2954 10.00610 3.363525       12.90019 
1 1 1 -1  3  15 o 327.7505 9.417096 1453.126       83.10819 0.000000      0.000000 1453.126       83.10819 ?        ?        327.7505 9.417096 ?              ?        
1 1 1 -1  3  16 o 53.22233 14.89783 22.40311       31.23332 22.82513      49.09501 22.11618       40.48180 55.14835 21.98230 51.29631 20.11368 3.852047       29.79567 
1 1 1 -1  3  17 o 295.8572 6.748955 1184.998       53.71648 1220.410      75.17218 1148.048       76.78669 300.4135 9.292965 291.3009 9.789504 9.112579       13.49791 
1 1 1 -1  3  18 o 69.74178 16.71405 58.06668       38.07444 88.10177      57.68867 34.88598       50.68032 79.76819 24.49940 59.71537 22.74240 20.05281       33.42810 
1 1 1 -1  3  19 o 90.35051 15.79656 121.6656       38.61803 81.85632      61.72493 147.2713       49.50357 78.29059 25.50944 102.4104 18.63849 -24.11983      31.59311 
1 1 1 -1  3  20 o 186.6496 9.126352 470.3163       45.78520 498.0190      67.25706 446.3908       62.50399 191.7448 13.02660 181.5543 12.78550 10.19046       18.25270 
1 1 1 -1  3  21 f 81.25968 16.74448 90.26382       43.39547 26.34369      63.31595 146.8898       59.59395 61.53260 24.81128 100.9868 22.49246 -39.45416      33.48896 
1 1 1 -1  3  22 o 199.4245 9.603415 541.5565       51.25280 560.9476      77.41877 526.4273       68.38393 202.4520 14.20172 196.3970 12.93111 6.054962       19.20683 
1 1 1 -1  3  23 o 224.5117 12.59550 726.8733       72.84018 522.1797      107.5440 900.3619       99.00782 192.9703 20.69723 256.0531 14.36005 -63.08286      25.19100 
1 1 1 -1  3  24 o 286.9300 11.87424 1193.611       89.95820 1245.523      142.7652 1159.427       115.8503 289.9984 18.28283 283.8615 15.15680 6.136902       23.74848 
1 1 1 -1  3  25 o 94.95319 26.42265 201.5984       105.6872 113.8271      172.9673 253.8914       133.5088 82.91820 37.23093 106.9882 37.50312 -24.06999      52.84530 
1 1 1 -1  3  26 o 144.7244 24.04209 373.3487       89.20129 487.5778      150.9098 312.0061       110.5885 158.6744 36.12996 130.7743 31.72875 27.90005       48.08417 
1 1 1 -1  3  27 o 62.21159 19.88527 10.70700       68.43254 89.88409      114.0831 -33.79491      85.52850 73.06702 31.59877 51.35614 24.14981 21.71088       39.77053 
1 1 1 -1  3  28 o 53.54600 17.54377 17.26741       59.15478 4.694724      98.06163 24.45997       74.16978 54.07097 25.55808 53.02102 24.03996 1.049953       35.08753 
1 1 1 -1  3  29 o 41.68478 14.41550 -35.68126      53.81876 -35.37481     74.33772 -36.01880      78.01803 41.37146 20.21297 41.99809 20.55877 -0.6266365     28.83101 
1 1 1 -1  5  1  o 704.4991 7.441603 6682.792       141.1236 6782.816      202.5938 6588.509       196.6947 709.6157 10.60278 699.3827 10.44466 10.23297       14.88321 
1 1 1 -1  5  2  o 858.3409 9.053636 9925.910       209.2403 9983.688      297.6743 9869.481       294.1776 860.8079 12.84256 855.8740 12.76487 4.933838       18.10727 
1 1 1 -1  5  3  o 1067.883 11.26331 15372.80       323.8412 15245.36      454.2200 15504.55       461.8362 1063.388 15.86320 1072.378 15.99399 -8.989380      22.52662 
1 1 1 -1  5  4  o 635.0050 6.734110 5429.103       115.0896 5534.834      165.8622 5330.924       159.8282 640.9601 9.610210 629.0499 9.435932 11.91016       13.46822 
1 1 1 -1  5  5  o 271.3702 4.346707 991.6120       31.76186 991.6120      31.76186 0.000000       0.000000 271.3702 4.346707 ?        ?        ?              ?        
1 1 1 -1  5  6  o 577.4081 6.141648 4490.670       95.48843 4486.769      135.1034 4494.563       134.9787 577.1573 8.693380 577.6589 8.677817 -0.5015869     12.28330 
1 1 1 -1  5  7  o 517.4415 5.539257 3604.611       77.16199 3552.711      107.7738 3659.193       110.5253 513.6221 7.792665 521.2609 7.874505 -7.638794      11.07851 
1 1 1 -1  5  8  o 1245.519 13.15348 20920.53       441.1377 20891.29      623.3593 20949.88       624.3677 1244.647 18.59982 1246.391 18.60385 -1.743530      26.30696 
1 1 1 -1  5  9  o 1138.858 12.05485 17484.88       369.5335 17182.30      514.1757 17808.13       531.4510 1128.688 16.91820 1149.028 17.17708 -20.33936      24.10970 
1 1 1 -1  5  10 o 860.6203 9.152109 9980.480       212.0720 10039.00      302.1081 9923.631       297.7693 863.1037 12.99918 858.1369 12.88665 4.966797       18.30422 
1 1 1 -1  5  11 o 875.2701 11.46453 10303.36       253.3530 10242.60      308.2368 10429.89       444.8141 871.6219 13.13327 878.9184 18.79519 -7.296509      22.92906 
1 1 1 -1  5  12 o 245.3110 4.393151 813.5424       26.80877 818.2417      32.29002 803.1160       48.09679 246.4828 4.865172 244.1391 7.316365 2.343719       8.786302 
1 1 1 -1  5  13 o 419.0281 5.896909 2350.580       59.76772 2327.386      70.29011 2411.119       113.5626 415.5203 6.282299 422.5359 9.981327 -7.015594      11.79382 
1 1 1 -1  5  14 f 136.5268 6.437642 274.9898       20.78992 309.3934      25.12716 200.3240       37.01708 151.4525 6.161461 121.6011 11.30528 29.85133       12.87528 
1 1 1 -1  5  15 o 144.8486 6.848972 314.7184       22.40286 348.4469      26.33172 226.3083       42.63153 160.6814 6.085976 129.0158 12.27170 31.66562       13.69794 
1 1 1 -1  5  16 o 181.3930 5.944530 452.7716       26.09258 463.0670      30.95829 427.5211       48.48304 185.2133 6.207566 177.5728 10.13982 7.640518       11.88906 
1 1 1 -1  5  17 o 68.90343 12.80255 61.88966       21.82413 55.58688      25.32918 80.05320       42.99871 62.66654 15.17278 75.14032 20.62542 -12.47378      25.60511 
1 1 1 -1  5  18 o 245.0535 5.726825 833.9728       34.43094 870.4312      41.47293 753.1125       61.76382 254.0687 6.062198 236.0382 9.717811 18.03047       11.45365 
1 1 1 -1  5  19 f 213.9706 6.344019 642.1739       32.24043 672.1862      38.08018 566.2069       60.58447 223.2903 6.333528 204.6509 10.99422 18.63942       12.68804 
1 1 1 -1  5  20 o 157.1730 11.40054 355.7816       45.34956 237.9476      68.06740 449.8343       60.81207 132.0655 19.14108 182.2806 12.38984 -50.21515      22.80108 
1 1 1 -1  5  21 o 90.54742 13.12306 126.9248       26.47132 137.4360      30.19160 91.98454       55.04577 100.6340 11.14187 80.46082 23.76378 20.17320       26.24612 
1 1 1 -1  5  22 o 103.5867 14.14386 189.2785       30.10648 213.9710      33.76856 93.59728       66.47269 125.5340 9.990054 81.63940 26.46496 43.89458       28.28772 
1 1 1 -1  5  23 o 204.3071 10.21234 587.4701       44.33023 596.2855      49.60332 552.4951       98.80245 209.5939 8.789186 199.0202 18.43686 10.57368       20.42468 
1 1 1 -1  5  24 o 99.23396 20.64771 125.2256       48.37854 104.0156      53.41213 222.1113       114.1562 82.92503 23.07565 115.5429 34.24654 -32.61786      41.29541 
1 1 1 -1  5  25 o 216.7164 11.48506 628.1508       52.68790 600.3786      58.18061 754.7518       124.2200 208.3496 10.37056 225.0832 20.49581 -16.73367      22.97013 
1 1 1 -1  5  26 o 208.8002 11.69028 625.2664       48.57720 620.9423      53.24162 646.7512       118.6782 212.0323 9.325367 205.5681 21.44034 6.464203       23.38057 
1 1 1 -1  5  27 o 49.30698 15.63605 7.978865       38.85987 13.34875      44.63042 -8.852339      79.01436 46.26979 19.88610 52.34417 24.13479 -6.074387      31.27211 
1 1 1 -1  5  28 o 93.45251 14.39688 201.5220       40.98487 260.1204      48.49648 55.07933       76.66570 129.9127 13.86357 56.99233 25.23653 72.92036       28.79377 
1 1 1 -1  7  1  o 370.1259 4.001236 1844.097       39.86376 1872.551      57.28260 1817.375       55.51088 372.8925 5.705000 367.3593 5.611820 5.533295       8.002472 
1 1 1 -1  7  2  o 869.6216 9.186375 10194.26       215.0996 10248.21      305.8807 10141.49       302.5404 871.8940 13.02882 867.3491 12.95406 4.544983       18.37275 
1 1 1 -1  7  3  o 1358.693 14.34520 24923.53       524.7850 24747.82      736.9531 25104.29       747.4747 1353.849 20.21558 1363.537 20.35851 -9.688110      28.69039 
1 1 1 -1  7  4  o 558.4110 5.945693 4198.170       89.37300 4264.733      128.3298 4135.480       124.5404 562.7057 8.469600 554.1163 8.346910 8.589417       11.89139 
1 1 1 -1  7  5  o 706.5768 10.60786 6725.076       201.8229 0.000000      0.000000 6725.076       201.8229 ?        ?        706.5768 10.60786 ?              ?        
1 1 1 -1  7  6  o 955.2375 10.10035 12278.58       259.4712 12667.12      378.5073 11934.13       356.3863 969.4561 14.49982 941.0190 14.06498 28.43707       20.20071 
1 1 1 -1  7  7  o 1039.058 10.98738 14551.39       307.3961 14614.72      437.1274 14489.43       432.3593 1041.291 15.59023 1036.826 15.48659 4.465332       21.97475 
1 1 1 -1  7  8  o 1025.856 10.84264 14187.79       299.4963 14113.77      421.5355 14263.24       425.5972 1023.157 15.30060 1028.555 15.36696 -5.397400      21.68529 
1 1 1 -1  7  9  o 852.5759 9.046148 9795.389       207.6727 9770.408      293.3959 9820.471       293.9920 851.4864 12.79655 853.6655 12.78982 -2.179077      18.09230 
1 1 1 -1  7  10 o 995.2608 10.54801 13355.77       282.6193 13192.18      394.8866 13527.55       404.6608 989.0249 14.82797 1001.497 15.00577 -12.47180      21.09601 
1 1 1 -1  7  11 o 550.3567 5.979365 4055.029       88.19179 3821.589      117.9696 4350.782       132.7847 532.5333 8.226971 568.1801 8.679180 -35.64679      11.95873 
1 1 1 -1  7  12 o 435.7267 6.985519 2559.765       81.95892 2559.765      81.95892 0.000000       0.000000 435.7267 6.985519 ?        ?        ?              ?        
1 1 1 -1  7  13 o 317.4710 4.987539 1371.206       39.83630 1392.260      48.57156 1327.942       69.62702 321.3523 5.613287 313.5897 8.245798 7.762634       9.975078 
1 1 1 -1  7  14 o 536.5270 7.446857 3858.086       99.33942 3792.733      118.9736 4008.546       180.5204 529.7249 8.340973 543.3290 12.33900 -13.60413      14.89371 
1 1 1 -1  7  15 f 114.5788 7.086154 196.0739       17.01413 209.1452      19.22869 148.9297       36.51780 124.5131 5.735234 104.6445 12.95999 19.86862       14.17231 
1 1 1 -1  7  16 o 196.8937 5.469550 555.6317       25.38486 596.3625      30.10138 455.3398       47.23431 210.3122 5.315432 183.4751 9.560862 26.83713       10.93910 
1 1 1 -1  7  17 f 325.1726 6.845782 1428.733       59.91002 1443.411      86.29428 1415.076       83.23940 326.7675 9.807532 323.5777 9.553598 3.189819       13.69156 
1 1 1 -1  7  18 o 303.7049 5.794126 1213.671       42.49247 1176.263      49.68141 1315.604       82.01046 295.3656 6.246700 312.0442 9.760447 -16.67865      11.58825 
1 1 1 -1  7  19 o 312.2557 5.997621 1326.943       46.74186 1345.644      56.58015 1286.750       82.94951 315.9008 6.651659 308.6106 9.982046 7.290192       11.99524 
1 1 1 -1  7  20 o 296.0002 6.235351 1228.297       46.34393 1320.352      57.41125 1056.118       78.51701 312.7607 6.817130 279.2397 10.44247 33.52094       12.47070 
1 1 1 -1  7  21 o 226.6665 6.885980 740.9712       36.82564 798.3192      43.76194 601.8404       68.16304 243.0852 6.685818 210.2478 12.04021 32.83746       13.77196 
1 1 1 -1  7  22 o 113.4530 13.28459 171.3735       32.00533 164.5735      35.72881 198.9919       72.00500 109.8998 12.07364 117.0062 23.66746 -7.106377      26.56918 
1 1 1 -1  7  23 o 245.4848 8.697968 809.1321       47.01712 798.5485      52.85093 849.2896       102.9484 242.7470 8.085659 248.2227 15.40262 -5.475723      17.39594 
1 1 1 -1  7  24 o 302.4109 15.06005 1162.415       117.4036 1683.504      204.7499 907.1647       143.3017 348.5934 21.81330 256.2285 20.77019 92.36484       30.12011 
1 1 1 -1  7  25 o 173.3924 11.71757 423.9750       44.25996 415.3216      49.64362 457.5064       97.72256 172.8707 10.66495 173.9141 20.86780 -1.043396      23.43515 
1 1 1 -1  7  26 o 93.04619 13.82515 189.1415       39.49834 251.1870      44.93124 -21.88710      82.86361 132.7766 12.56735 53.31579 24.62926 79.46078       27.65030 
1 1 1 -1  7  27 o 65.31894 17.49769 72.43068       38.10337 68.33833      43.28482 86.51991       80.31432 62.94722 21.38349 67.69066 27.70239 -4.743439      34.99537 
1 1 1 -1  7  28 f 50.59270 15.11657 44.78749       37.93990 63.88284      42.73159 -26.31933      82.45953 56.42901 21.01365 44.75639 21.73634 11.67263       30.23313 
1 1 1 -1  9  1  o 1033.855 10.92119 14406.02       304.0255 14432.59      430.9152 14379.68       429.0052 1034.803 15.46503 1032.907 15.42474 1.895508       21.84239 
1 1 1 -1  9  2  o 64.48326 3.638162 56.62792       6.239269 50.67033      9.264502 61.57265       8.440296 61.34340 5.608811 67.62312 4.635314 -6.279713      7.276324 
1 1 1 -1  9  3  o 454.0226 4.888793 2775.925       59.76579 2783.343      84.85319 2768.622       84.19384 454.6242 6.931579 453.4209 6.895970 1.203308       9.777586 
1 1 1 -1  9  4  o 767.7435 8.134271 7938.252       168.1175 7831.993      234.6514 8050.324       240.9831 762.4694 11.42924 773.0176 11.57747 -10.54816      16.26854 
1 1 1 -1  9  5  o 463.8680 5.001197 2897.283       62.46041 2922.319      89.12312 2873.115       87.56229 465.8367 7.105151 461.8994 7.040222 3.937317       10.00239 
1 1 1 -1  9  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  7  o 520.9413 7.969264 3654.882       111.7868 3654.882      111.7868 0.000000       0.000000 520.9413 7.969264 ?        ?        ?              ?        
1 1 1 -1  9  8  o 415.0577 4.571858 2313.803       50.96867 2403.976      75.29745 2237.546       69.24366 422.4986 6.618683 407.6167 6.308770 14.88193       9.143716 
1 1 1 -1  9  9  o 243.6573 3.077306 799.5305       20.15797 797.8913      29.32871 800.9982       27.75193 243.4193 4.474603 243.8952 4.225777 -0.4758911     6.154613 
1 1 1 -1  9  10 o 354.9359 4.033293 1685.154       38.36494 1581.700      51.30581 1816.375       57.78218 342.6698 5.560416 367.2021 5.843935 -24.53229      8.066586 
1 1 1 -1  9  11 o 184.0380 2.872668 455.7777       14.22767 442.6004      19.72269 470.0758       20.54437 181.2677 4.040754 186.8083 4.084260 -5.540573      5.745335 
1 1 1 -1  9  12 o 236.0454 3.239722 748.1743       20.54347 789.2818      30.34440 713.3896       27.91332 242.0062 4.656596 230.0845 4.505476 11.92168       6.479445 
1 1 1 -1  9  13 o 252.6071 3.456961 858.0587       23.47577 823.4464      32.10218 897.8455       34.41819 247.1498 4.823816 258.0645 4.953092 -10.91466      6.913923 
1 1 1 -1  9  14 o 134.5410 3.738960 245.0354       13.37229 250.1938      17.66453 238.1112       20.46575 136.2251 4.815723 132.8568 5.720849 3.368317       7.477921 
1 1 1 -1  9  15 o 161.8153 3.739167 354.0934       16.19333 363.4456      21.90026 342.8128       24.05238 164.1943 4.953450 159.4363 5.602572 4.757935       7.478334 
1 1 1 -1  9  16 o 531.2296 7.507941 3830.384       101.4512 3856.290      124.7461 3779.783       174.3455 534.3210 8.670444 528.1383 12.25969 6.182678       15.01588 
1 1 1 -1  9  17 f 320.5319 5.562161 1387.756       44.14707 1389.346      52.92464 1384.119       80.04351 320.9933 6.123202 320.0706 9.287461 0.9227600      11.12432 
1 1 1 -1  9  18 o 199.0104 5.741919 494.1012       25.47371 465.6496      28.47776 608.0160       56.98268 185.8713 5.689973 212.1495 9.975106 -26.27821      11.48384 
1 1 1 -1  9  19 o 429.7872 6.712053 2504.959       73.01930 2523.665      89.35895 2467.369       126.6749 432.4661 7.673661 427.1083 11.01461 5.357758       13.42411 
1 1 1 -1  9  20 o 98.46053 10.95018 125.7844       23.58506 118.9269      26.53827 151.5537       51.44490 93.63946 10.52520 103.2816 19.20536 -9.642143      21.90036 
1 1 1 -1  9  21 o 138.1423 9.199235 269.6971       27.21422 276.0716      30.58589 245.4723       59.62530 142.8126 7.953734 133.4719 16.59041 9.340683       18.39847 
1 1 1 -1  9  22 o 254.4405 8.385163 943.6928       47.71934 999.0616      55.04108 776.1160       95.75500 271.5932 7.526353 237.2878 14.98659 34.30548       16.77033 
1 1 1 -1  9  23 o 45.65302 15.68307 -124.8531      38.91778 -157.0483     42.75090 30.91482       94.03493 24.19643 12.29788 67.10962 28.85476 -42.91319      31.36615 
1 1 1 -1  9  24 o 103.5172 18.17452 138.8604       38.21511 117.2895      41.14843 274.1792       103.0619 86.96337 18.15866 120.0710 31.48834 -33.10761      36.34904 
1 1 1 -1  9  25 o 90.26274 16.30894 142.4708       33.59143 150.2670      36.34164 96.73149       88.02562 102.9559 13.10901 77.56959 29.86770 25.38631       32.61788 
1 1 1 -1  9  26 o 56.14459 16.06279 41.75747       34.04129 47.68263      37.80230 16.34662       78.28488 55.89344 19.92040 56.39574 25.20378 -0.5023041     32.12558 
1 1 1 -1  9  27 o 66.32555 14.96673 91.22968       33.90567 108.7162      37.64294 16.05146       78.05095 80.46406 17.84176 52.18705 24.03505 28.27701       29.93346 
1 1 1 -1  9  28 o 38.93577 12.65765 -1.598122      32.31884 25.14229      35.60694 -126.6529      77.00178 42.49350 17.99548 35.37805 17.80526 7.115448       25.31530 
1 1 1 -1  11 1  o 980.4117 10.37273 12957.14       273.8262 13001.89      388.8180 12913.11       385.6982 982.0882 14.70322 978.7353 14.63521 3.352905       20.74546 
1 1 1 -1  11 2  o 478.0276 5.166350 3077.183       66.49667 3054.867      93.49029 3100.034       94.60055 476.2739 7.289980 479.7813 7.322628 -3.507385      10.33270 
1 1 1 -1  11 3  o 149.8271 3.705938 302.2484       14.95106 0.000000      0.000000 302.2484       14.95106 ?        ?        149.8271 3.705938 ?              ?        
1 1 1 -1  11 4  f 628.1898 6.701900 5314.745       113.3524 5266.236      158.9724 5364.914       161.6706 625.2755 9.442061 631.1041 9.513638 -5.828674      13.40380 
1 1 1 -1  11 5  o 904.8624 9.593364 11035.96       233.7372 10998.52      329.2953 11073.97       331.8280 903.3181 13.53822 906.4067 13.59585 -3.088684      19.18673 
1 1 1 -1  11 6  o 639.1995 9.651940 5504.623       166.1248 5504.623      166.1248 0.000000       0.000000 639.1995 9.651940 ?        ?        ?              ?        
1 1 1 -1  11 7  o 1113.064 11.79039 16713.35       353.1940 17044.49      509.3146 16406.57       490.2162 1123.650 16.83340 1102.478 16.51332 21.17188       23.58078 
1 1 1 -1  11 8  o 478.0355 5.220877 3078.063       67.18227 3117.441      96.43175 3040.926       93.64951 481.0021 7.445428 475.0689 7.320918 5.933228       10.44175 
1 1 1 -1  11 9  o 362.1918 4.141769 1767.325       40.38718 1726.241      56.66546 1809.742       57.57766 357.9134 5.879726 366.4702 5.834881 -8.556732      8.283539 
1 1 1 -1  11 10 o 201.1303 3.097524 547.6993       16.69082 496.5275      23.98887 595.7169       23.23781 191.9707 4.640785 210.2898 4.103869 -18.31908      6.195049 
1 1 1 -1  11 11 o 260.0566 3.421203 907.0622       23.81330 951.0087      36.02710 872.9651       31.73412 265.6102 5.037339 254.5030 4.630738 11.10719       6.842406 
1 1 1 -1  11 12 o 95.84079 4.050766 124.9652       10.36516 111.8607      15.11594 136.5954       14.24031 91.04272 6.166043 100.6389 5.254972 -9.596153      8.101531 
1 1 1 -1  11 13 o 245.2982 3.378636 811.1378       22.31427 819.5424      31.81083 802.9961       31.30942 246.5480 4.791705 244.0484 4.764481 2.499603       6.757271 
1 1 1 -1  11 14 o 231.2796 3.467216 719.3004       21.56040 689.9736      29.52297 752.8159       31.56099 226.2438 4.846186 236.3155 4.959924 -10.07175      6.934433 
1 1 1 -1  11 15 o 192.0178 3.612514 495.0751       18.53741 482.3138      24.60388 511.8309       28.19280 189.1780 4.830028 194.8576 5.373256 -5.679611      7.225029 
1 1 1 -1  11 16 f 291.1234 4.005870 1136.426       31.28354 1075.854      42.07798 1211.283       46.77746 282.5056 5.531520 299.7412 5.795712 -17.23560      8.011741 
1 1 1 -1  11 17 o 410.8837 4.919621 2276.031       54.41280 2250.563      75.85521 2303.026       78.09637 408.5227 6.895819 413.2448 7.018432 -4.722137      9.839243 
1 1 1 -1  11 18 o 347.7549 5.837884 1633.880       50.20078 1636.427      60.12376 1628.016       91.22199 348.3744 6.409387 347.1354 9.759269 1.239044       11.67577 
1 1 1 -1  11 19 o 50.33765 13.03936 29.87296       20.22756 34.76682      22.20462 6.004630       49.03758 50.24093 15.15249 50.43438 21.22502 -0.1934471     26.07871 
1 1 1 -1  11 20 o 125.0688 8.527749 195.1316       23.40797 183.3027      26.01239 245.4881       53.67051 116.3466 8.303153 133.7910 14.89791 -17.44443      17.05550 
1 1 1 -1  11 21 o 168.2754 8.544900 387.6339       31.56267 388.2905      35.56674 385.2002       68.47163 169.3137 7.801330 167.2372 15.20528 2.076477       17.08980 
1 1 1 -1  11 22 o 64.40611 14.95680 64.76936       32.86299 87.41051      36.15875 -42.72149      78.78616 76.80623 17.82711 52.00599 24.02120 24.80024       29.91361 
1 1 1 -1  11 23 o 108.2200 18.88887 166.0279       45.55755 162.2217      50.22626 183.6935       108.2048 107.8664 17.29264 108.5735 33.58752 -0.7070694     37.77773 
1 1 1 -1  11 24 o 91.91971 17.18905 126.3524       35.12508 118.8488      38.46868 163.9751       86.13840 88.89997 16.68300 94.93945 30.05881 -6.039482      34.37811 
1 1 1 -1  11 25 o 220.4700 9.624620 738.0234       44.90382 764.9299      50.66780 639.5378       96.93701 235.3429 7.995534 205.5970 17.51013 29.74591       19.24924 
1 1 1 -1  11 26 o 58.98326 16.52191 52.10871       32.01651 50.36642      34.73671 61.94423       82.53275 55.57453 19.14935 62.39199 26.92947 -6.817459      33.04382 
1 1 1 -1  11 27 o 50.29508 14.60023 46.65430       31.64129 56.25691      34.62869 -1.906783      77.87274 54.42652 19.09867 46.16364 22.08862 8.262882       29.20045 
1 1 1 -1  13 1  o 1021.640 10.82416 14072.10       297.6278 14336.60      428.8585 13826.34       413.3863 1030.877 15.44984 1012.403 15.16419 18.47388       21.64833 
1 1 1 -1  13 2  o 674.4561 7.199954 6123.851       130.6514 6275.928      189.4143 5985.828       180.4496 682.4279 10.30796 666.4842 10.05502 15.94366       14.39991 
1 1 1 -1  13 3  o 571.3726 6.140568 4395.450       94.41788 4486.900      136.3755 4311.260       130.8499 577.0718 8.776536 565.6733 8.590619 11.39844       12.28114 
1 1 1 -1  13 4  o 355.9523 4.026294 1706.510       38.59029 1701.437      54.60922 1711.570       54.54067 355.4236 5.706060 356.4810 5.681994 -1.057373      8.052588 
1 1 1 -1  13 5  f 262.5930 3.256938 928.5403       23.02327 934.3192      32.97492 923.0435       32.16001 263.3893 4.649458 261.7968 4.562139 1.592499       6.513875 
1 1 1 -1  13 6  f 282.3990 3.418774 1071.534       25.95892 1024.954      35.55905 1124.683       37.98368 275.8462 4.787401 288.9519 4.881890 -13.10568      6.837548 
1 1 1 -1  13 7  o 382.3864 4.313244 1970.068       44.39844 1938.824      61.90154 2003.170       63.71549 379.2680 6.061384 385.5048 6.138071 -6.236755      8.626488 
1 1 1 -1  13 8  o 455.0314 5.042579 2792.721       61.78014 2814.996      87.98680 2771.060       86.76659 456.8183 7.153040 453.2445 7.109459 3.573730       10.08516 
1 1 1 -1  13 9  o 504.3033 5.542062 3433.789       75.24345 3462.614      107.6072 3406.211       105.2524 506.3633 7.892160 502.2433 7.782778 4.119934       11.08412 
1 1 1 -1  13 10 o 407.0547 6.612597 2236.416       72.47833 2236.416      72.47833 0.000000       0.000000 407.0547 6.612597 ?        ?        ?              ?        
1 1 1 -1  13 11 o 107.5013 7.357805 156.1131       21.29832 156.1131      21.29832 0.000000       0.000000 107.5013 7.357805 ?        ?        ?              ?        
1 1 1 -1  13 12 o 310.6590 3.934229 1302.714       32.88798 1275.404      47.05980 1328.785       45.98024 307.4610 5.684297 313.8570 5.440716 -6.395996      7.868457 
1 1 1 -1  13 13 o 117.2719 4.334857 185.1676       13.14347 186.7258      21.93764 184.2952       16.41594 117.6253 6.926370 116.9184 5.214342 0.7069473      8.669715 
1 1 1 -1  13 14 o 341.8020 4.208933 1575.321       38.73555 1564.739      54.91989 1585.795       54.64183 340.6568 5.987275 342.9471 5.917179 -2.290344      8.417866 
1 1 1 -1  13 15 o 280.4948 3.898588 1059.868       29.43432 1082.612      42.33828 1038.592       40.94930 283.4035 5.548103 277.5860 5.478549 5.817566       7.797175 
1 1 1 -1  13 16 o 307.0360 4.092921 1269.934       33.82607 1317.480      48.44609 1224.705       47.25086 312.6425 5.754762 301.4296 5.821575 11.21292       8.185843 
1 1 1 -1  13 17 o 352.2134 6.238362 1672.626       59.16432 1672.626      59.16432 0.000000       0.000000 352.2134 6.238362 ?        ?        ?              ?        
1 1 1 -1  13 18 f 93.77431 7.100860 119.8175       17.25920 121.6784      21.74561 116.6497       28.37159 94.84798 8.514518 92.70063 11.36626 2.147354       14.20172 
1 1 1 -1  13 19 o 322.3710 4.534484 1404.951       39.28920 1421.239      54.13282 1386.820       57.11357 324.3834 6.197531 320.3587 6.620936 4.024628       9.068968 
1 1 1 -1  13 20 o 154.4915 8.702068 292.7192       27.86481 275.7654      30.42511 380.9247       69.39789 142.6877 7.918852 166.2954 15.49825 -23.60767      17.40414 
1 1 1 -1  13 21 o 53.98768 14.77364 31.31392       29.30852 45.73724      32.22223 -37.79189      70.53101 57.44549 18.40543 50.52987 23.11454 6.915619       29.54728 
1 1 1 -1  13 22 o 132.8222 25.58596 236.1024       88.92047 372.3981      163.2254 178.5827       106.0364 155.5650 39.03124 110.0795 33.09272 45.48551       51.17193 
1 1 1 -1  13 23 o 108.4494 15.09179 185.0634       32.46001 187.3286      35.64479 174.0596       78.56274 115.8356 11.42801 101.0631 27.93653 14.77256       30.18358 
1 1 1 -1  13 24 o 212.3609 9.298150 705.6323       40.81740 752.3671      46.11921 536.7036       87.68265 234.2811 7.310739 190.4407 17.09899 43.84038       18.59630 
1 1 1 -1  13 25 o 73.25655 15.18594 96.51781       29.77100 101.6790      33.10910 74.72456       68.03525 80.92051 15.76191 65.59258 25.96176 15.32793       30.37187 
1 1 1 -1  13 26 o 84.43166 14.65968 157.0216       33.57983 174.0663      37.55514 89.05577       74.99300 106.5586 13.08873 62.30470 26.23566 44.25391       29.31936 
1 1 1 -1  15 1  o 491.2039 5.374839 3254.262       71.09020 3250.485      100.4182 3258.056       100.6557 490.9187 7.596605 491.4890 7.605733 -0.5702820     10.74968 
1 1 1 -1  15 2  f 234.3171 3.164496 739.0194       19.94406 726.8268      27.47377 752.6027       28.99826 232.2784 4.392643 236.3559 4.556404 -4.077454      6.328991 
1 1 1 -1  15 3  o 281.4005 3.494358 1065.977       26.45908 1092.134      38.29078 1042.074       36.60378 284.6988 4.994883 278.1022 4.888078 6.596588       6.988717 
1 1 1 -1  15 4  o 271.8615 4.921830 995.9622       36.02945 995.9622      36.02945 0.000000       0.000000 271.8615 4.921830 ?        ?        ?              ?        
1 1 1 -1  15 5  o 248.7260 3.332140 833.8663       22.30729 829.7971      31.97030 837.7270       31.14059 248.1307 4.785010 249.3214 4.638568 -1.190689      6.664281 
1 1 1 -1  15 6  o 226.5699 3.239255 691.9873       19.73694 688.9249      28.60899 694.7686       27.26406 226.0853 4.699447 227.0545 4.459406 -0.9691467     6.478511 
1 1 1 -1  15 7  o 171.5696 3.312348 396.8617       15.29881 405.8983      21.60310 387.7702       21.66860 173.5320 4.623313 169.6073 4.744636 3.924606       6.624695 
1 1 1 -1  15 8  o 55.04116 11.67957 42.70330       16.77417 42.70330      16.77417 0.000000       0.000000 55.04116 11.67957 ?        ?        ?              ?        
1 1 1 -1  15 9  o 290.6756 5.290796 1139.476       41.41074 1139.476      41.41074 0.000000       0.000000 290.6756 5.290796 ?        ?        ?              ?        
1 1 1 -1  15 10 o 444.8755 5.042846 2671.545       60.37881 2722.241      87.04263 2624.526       83.82528 448.9271 7.200667 440.8239 7.061981 8.103271       10.08569 
1 1 1 -1  15 11 o 251.9384 5.403374 855.8334       36.65581 855.8334      36.65581 0.000000       0.000000 251.9384 5.403374 ?        ?        ?              ?        
1 1 1 -1  15 12 o 398.7853 4.677151 2143.617       50.14412 2169.570      73.18716 2120.655       68.84119 401.0403 6.777405 396.5302 6.447460 4.510101       9.354302 
1 1 1 -1  15 13 o 513.1004 5.761343 3552.097       79.53889 3609.062      115.1083 3500.045       110.0332 517.0137 8.268395 509.1872 8.025331 7.826508       11.52269 
1 1 1 -1  15 14 o 191.5509 3.928029 463.0213       19.22486 595.8558      34.39026 402.6408       23.18613 210.2411 6.074835 172.8607 4.981367 37.38036       7.856057 
1 1 1 -1  15 15 o 141.1840 4.748570 258.6229       17.41236 306.9380      29.65399 233.1987       21.51127 150.8459 7.300731 131.5222 6.074126 19.32373       9.497140 
1 1 1 -1  15 16 o 178.2939 4.279938 427.2346       20.50940 456.8169      30.11705 401.6522       28.00709 184.0269 6.077817 172.5608 6.027571 11.46611       8.559875 
1 1 1 -1  15 17 o 128.8198 5.446361 227.0378       18.62406 265.8915      26.03431 186.3143       26.65340 140.2967 6.891522 117.3428 8.435537 22.95390       10.89272 
1 1 1 -1  15 18 o 95.10935 9.659154 122.7553       24.73692 122.7553      24.73692 0.000000       0.000000 95.10935 9.659154 ?        ?        ?              ?        
1 1 1 -1  15 19 o 181.7439 5.713966 450.7251       26.93779 459.4091      34.01105 436.1082       44.12549 184.2789 6.854266 179.2090 9.144216 5.069946       11.42793 
1 1 1 -1  15 20 o 38.43372 11.95153 -12.48075      25.62777 12.20779      32.17001 -55.36322      42.39780 43.05374 17.56614 33.81369 16.21071 9.240051       23.90306 
1 1 1 -1  15 21 o 67.21660 24.92082 51.55768       59.96901 0.000000      0.000000 51.55768       59.96901 ?        ?        67.21660 24.92082 ?              ?        
1 1 1 -1  15 22 o 122.2435 13.21498 215.2092       31.50556 211.1154      34.57544 235.2406       76.48146 123.3546 10.40947 121.1323 24.29374 2.222343       26.42996 
1 1 1 -1  15 23 o 87.26637 15.65676 106.8133       28.68033 100.5306      30.97508 144.5647       75.92836 83.88713 13.71304 90.64561 28.15118 -6.758484      31.31352 
1 1 1 -1  15 24 o 97.28023 14.12119 210.5002       30.24282 238.3547      33.02647 65.84517       75.26287 130.2185 9.419024 64.34192 26.62545 65.87662       28.24239 
1 1 1 -1  15 25 o 45.84579 14.47639 16.24117       24.99206 13.43753      26.53016 38.33899       74.48228 37.74786 15.72952 53.94372 24.30732 -16.19585      28.95278 
1 1 1 -1  17 1  o 498.9128 5.513769 3363.623       74.06853 3343.083      104.1081 3384.677       105.4013 497.3763 7.773492 500.4492 7.821727 -3.072937      11.02754 
1 1 1 -1  17 2  o 135.9303 3.737294 249.0944       13.64715 247.5584      18.64592 250.8667       20.02807 135.4871 5.110960 136.3736 5.454132 -0.8864441     7.474588 
1 1 1 -1  17 3  o 323.6933 3.937096 1413.392       34.31267 1432.038      48.92228 1395.339       48.13810 325.7930 5.576755 321.5935 5.559021 4.199524       7.874192 
1 1 1 -1  17 4  o 112.4234 4.366416 170.2580       13.17794 152.4854      18.22956 189.7108       19.07180 106.2813 6.369948 118.5656 5.973785 -12.28430      8.732831 
1 1 1 -1  17 5  o 292.6021 3.736192 1154.506       29.42747 1158.995      42.18692 1150.252       41.06904 293.1503 5.344464 292.0538 5.222377 1.096436       7.472383 
1 1 1 -1  17 6  o 334.0770 4.051777 1505.932       36.44393 1506.787      51.94331 1505.104       51.14496 334.1648 5.772787 333.9892 5.687049 0.1755676      8.103555 
1 1 1 -1  17 7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  17 8  o 341.6061 4.155841 1573.822       38.22395 1568.841      53.69300 1578.941       54.42816 341.0612 5.846581 342.1509 5.907755 -1.089722      8.311683 
1 1 1 -1  17 9  o 281.3704 3.834753 1067.331       29.05252 1075.459      41.03292 1059.160       41.14022 282.4465 5.395266 280.2943 5.450910 2.152222       7.669505 
1 1 1 -1  17 10 o 645.1628 7.036904 5624.806       122.2019 5540.372      170.1007 5714.862       175.6732 640.1840 9.867745 650.1417 10.03492 -9.957642      14.07381 
1 1 1 -1  17 11 o 207.3873 5.563255 579.7791       31.06665 579.7791      31.06665 0.000000       0.000000 207.3873 5.563255 ?        ?        ?              ?        
1 1 1 -1  17 12 o 339.9223 4.259930 1556.993       38.95042 1570.471      56.49706 1544.784       53.77230 341.3149 6.147339 338.5296 5.899003 2.785339       8.519860 
1 1 1 -1  17 13 f 141.8543 4.615455 263.9177       16.89741 296.8399      28.98499 246.9687       20.79699 148.3474 7.256209 135.3612 5.705884 12.98624       9.230909 
1 1 1 -1  17 14 o 314.8881 4.245624 1338.608       35.92784 1304.975      52.07840 1369.152       49.62930 311.0927 6.217051 318.6835 5.783559 -7.590759      8.491247 
1 1 1 -1  17 15 o 248.0592 4.159464 833.5595       27.52028 804.5419      41.48504 856.3655       36.77784 244.1475 6.310385 251.9709 5.420664 -7.823380      8.318928 
1 1 1 -1  17 16 o 159.4841 5.185935 339.7165       21.35144 358.6091      36.13591 329.5828       26.46531 162.7577 8.245447 156.2106 6.291921 6.547119       10.37187 
1 1 1 -1  17 17 o 108.9642 7.469182 166.3750       21.11088 138.2647      32.89238 186.0656       27.52906 100.7343 12.12647 117.1942 8.723725 -16.45987      14.93836 
1 1 1 -1  17 18 o 157.3606 6.592700 331.5326       27.57836 416.2188      41.59015 265.0745       36.84325 175.1100 8.820560 139.6112 9.800635 35.49878       13.18540 
1 1 1 -1  17 19 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  17 20 o 59.75930 13.02357 45.78235       29.32353 98.22046      39.22622 -20.64103      44.14824 79.74940 18.60719 39.76919 18.22707 39.98022       26.04715 
1 1 1 -1  17 21 o 63.24191 13.47074 59.12221       24.42521 48.69433      31.14188 75.79089       39.37290 56.98226 18.07711 69.50156 19.97651 -12.51930      26.94147 
1 1 1 -1  17 22 o 37.71222 11.86804 -4.395521      23.42560 -1.582702     29.03510 -9.640754      39.64924 35.91381 15.72981 39.51063 17.77569 -3.596817      23.73609 
1 1 1 -1  17 23 o 90.92437 14.69821 155.0547       29.95430 165.5878      33.12078 107.7352       70.20094 107.3385 11.45939 74.51019 27.07088 32.82835       29.39643 
1 1 1 -1  17 24 o 103.3064 14.70061 202.1504       31.37983 208.5527      34.94011 175.4507       71.35279 119.0951 10.89549 87.51768 27.30787 31.57743       29.40122 
1 1 1 -1  19 1  o 277.3183 3.748191 1036.775       27.96403 1034.015      38.71694 1039.786       40.43307 276.9405 5.191958 277.6960 5.407340 -0.7554932     7.496383 
1 1 1 -1  19 2  o 89.72268 5.775488 110.4552       13.58757 117.3181      17.66253 100.5054       21.26706 93.22987 7.035816 86.21548 9.160913 7.014389       11.55098 
1 1 1 -1  19 3  o 263.9818 3.699862 938.3836       26.25856 920.4962      36.00408 958.7099       38.38012 261.3054 5.117053 266.6582 5.345249 -5.352814      7.399724 
1 1 1 -1  19 4  o 283.5185 3.830071 1083.524       29.23639 1105.799      41.64039 1061.868       41.05873 286.3930 5.399693 280.6440 5.433333 5.748962       7.660143 
1 1 1 -1  19 5  o 206.1382 3.666472 566.8060       20.23807 632.6811      30.64211 515.8368       26.95332 216.6480 5.252675 195.6284 5.116785 21.01968       7.332945 
1 1 1 -1  19 6  o 540.7827 5.968863 3949.118       86.91549 3943.503      122.9445 3954.727       122.8896 540.3969 8.449148 541.1684 8.433337 -0.7714844     11.93773 
1 1 1 -1  19 7  o 573.3082 6.302826 4439.647       97.29189 4401.196      136.6095 4479.226       138.5950 570.7949 8.888277 575.8215 8.938736 -5.026672      12.60565 
1 1 1 -1  19 8  o 474.6957 5.378397 3040.732       68.74577 3036.768      96.95028 3044.740       97.49440 474.3869 7.589847 475.0045 7.622521 -0.6175842     10.75679 
1 1 1 -1  19 9  o 313.8393 5.835594 1327.656       49.31463 1327.656      49.31463 0.000000       0.000000 313.8393 5.835594 ?        ?        ?              ?        
1 1 1 -1  19 10 o 226.9661 4.112437 695.3159       25.07491 710.4434      34.53405 678.4471       36.46743 229.5910 5.586107 224.3412 6.036884 5.249817       8.224874 
1 1 1 -1  19 11 o 327.8877 4.374081 1450.683       38.56397 1475.527      53.41169 1423.628       55.73804 330.8365 5.995694 324.9388 6.370400 5.897675       8.748162 
1 1 1 -1  19 12 o 144.1461 4.992811 280.1441       19.36366 264.9398      26.96162 296.3409       27.82761 140.1065 7.146678 148.1857 6.974069 -8.079163      9.985622 
1 1 1 -1  19 13 o 209.1183 4.131253 589.9291       23.05377 590.9014      35.03961 589.1871       30.61285 209.2399 6.219153 208.9967 5.439774 0.2431793      8.262506 
1 1 1 -1  19 14 o 174.8044 4.547525 423.6982       20.57840 368.2891      32.78507 459.7199       26.43426 165.0323 7.377745 184.5765 5.318722 -19.54416      9.095050 
1 1 1 -1  19 15 o 394.0537 6.788480 2098.480       72.02966 0.000000      0.000000 2098.480       72.02966 ?        ?        394.0537 6.788480 ?              ?        
1 1 1 -1  19 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  19 17 o 156.2352 8.362460 332.1724       35.18005 0.000000      0.000000 332.1724       35.18005 ?        ?        156.2352 8.362460 ?              ?        
1 1 1 -1  19 18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  19 19 o 40.50617 12.55140 -4.208344      26.16536 -1.251191     37.68206 -6.961658      36.36014 41.59973 18.07521 39.41261 17.41947 2.187126       25.10281 
1 1 1 -1  19 20 o 108.7567 8.343847 168.3713       23.43800 113.7254      32.51263 227.4953       33.81860 89.41694 13.50358 128.0965 9.804715 -38.67957      16.68769 
1 1 1 -1  19 21 o 61.26745 12.47471 58.43267       23.83877 88.24740      33.05035 26.10050       34.41740 75.41905 16.71401 47.11584 18.52337 28.30321       24.94941 
1 1 1 -1  19 22 o 114.8690 9.158045 198.6226       27.50863 237.4149      37.84087 155.1468       40.06007 128.4650 10.93938 101.2730 14.69044 27.19205       18.31609 
1 1 1 -1  19 23 o 43.22657 12.64152 15.29474       27.36834 50.54201      36.53152 -29.79486      41.31837 52.70888 19.46872 33.74427 16.13076 18.96461       25.28305 
1 1 1 -1  21 1  o 290.0146 4.033270 1133.374       31.48443 1120.897      43.82952 1146.676       45.25616 288.3697 5.644608 291.6596 5.762594 -3.289978      8.066541 
1 1 1 -1  21 2  o 669.2079 7.292256 6052.573       131.3962 6024.174      184.6970 6081.675       186.9684 667.6283 10.27405 670.7875 10.35142 -3.159241      14.58451 
1 1 1 -1  21 3  o 584.4882 6.453331 4611.731       101.5458 4681.586      145.3363 4545.104       141.9388 588.8036 9.166853 580.1727 9.085744 8.630920       12.90666 
1 1 1 -1  21 4  o 391.2316 4.693956 2063.552       49.44099 2046.872      69.19780 2080.948       70.66553 389.6205 6.595795 392.8426 6.680449 -3.222137      9.387913 
1 1 1 -1  21 5  o 899.8081 9.671679 10968.26       234.2997 10853.55      327.9789 11087.80       334.8269 895.0334 13.60890 904.5827 13.74639 -9.549255      19.34336 
1 1 1 -1  21 6  o 272.5973 4.006282 1001.533       29.40567 989.7122      41.46895 1013.487       41.70385 270.9786 5.683353 274.2160 5.648069 -3.237366      8.012565 
1 1 1 -1  21 7  o 304.4567 4.153661 1249.455       34.05069 1235.847      47.97124 1263.273       48.34078 302.7855 5.883863 306.1280 5.864449 -3.342560      8.307323 
1 1 1 -1  21 8  o 281.8385 4.108146 1070.527       31.17310 1049.852      43.74221 1091.865       44.43685 279.0732 5.821021 284.6038 5.798548 -5.530579      8.216291 
1 1 1 -1  21 9  o 358.1977 4.578369 1731.035       44.15543 1754.142      62.90689 1708.594       61.99355 360.5530 6.479562 355.8424 6.470018 4.710663       9.156738 
1 1 1 -1  21 10 f 175.3199 4.650992 415.7965       21.85721 424.6889      29.71995 405.3209       32.25724 177.3907 6.222054 173.2491 6.914691 4.141602       9.301984 
1 1 1 -1  21 11 o 117.2853 6.621641 191.0545       20.38880 219.4588      27.44170 156.0522       30.46257 127.3631 8.001729 107.2074 10.55258 20.15574       13.24328 
1 1 1 -1  21 12 o 243.0658 4.344757 797.9614       28.39365 797.7834      39.09827 798.1599       41.30163 243.0584 5.973978 243.0733 6.310249 -0.1495361E-01 8.689514 
1 1 1 -1  21 13 o 315.4791 4.500209 1331.991       37.91372 1438.672      58.23916 1253.526       49.94712 326.2949 6.628594 304.6633 6.088453 21.63162       9.000418 
1 1 1 -1  21 14 o 207.1306 6.303330 580.0546       35.15586 0.000000      0.000000 580.0546       35.15586 ?        ?        207.1306 6.303330 ?              ?        
1 1 1 -1  21 15 o 44.65740 12.28413 -3.106546      23.46370 49.29052      38.75631 -33.42369      29.48038 59.90629 20.23458 29.40851 13.93417 30.49778       24.56826 
1 1 1 -1  21 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  21 17 o 68.34589 11.65949 73.82151       25.58302 9.631248      39.56388 119.9474       33.53798 44.81591 18.97347 91.87585 13.55664 -47.05994      23.31898 
1 1 1 -1  21 18 o 69.78181 12.91504 75.73572       24.73839 64.39473      35.93849 85.94860       34.10426 64.49963 19.23764 75.06400 17.23676 -10.56437      25.83007 
1 1 1 -1  21 19 o 131.0438 9.567660 238.8157       33.76024 0.000000      0.000000 238.8157       33.76024 ?        ?        131.0438 9.567660 ?              ?        
1 1 1 -1  21 20 o 145.2318 7.484175 291.5671       28.52647 334.7077      46.94929 266.3196       35.91660 152.9224 11.40183 137.5413 9.697922 15.38104       14.96835 
1 1 1 -1  21 21 o 144.4086 7.778278 305.8432       29.39285 295.1419      46.77475 312.8264       37.78500 140.8880 12.32974 147.9291 9.485984 -7.041077      15.55656 
1 1 1 -1  21 22 f 75.85368 20.68625 115.3928       43.41778 115.3928      43.41778 0.000000       0.000000 75.85368 20.68625 ?        ?        ?              ?        
1 1 1 -1  23 1  o 142.1595 5.269713 272.2300       19.96195 268.8965      26.32021 276.7438       30.62784 141.1628 6.924455 143.1562 7.945530 -1.993347      10.53943 
1 1 1 -1  23 2  o 439.3902 5.186036 2605.933       61.34887 2668.618      87.39632 2545.041       86.13817 444.6038 7.300231 434.1765 7.367937 10.42731       10.37207 
1 1 1 -1  23 3  o 413.9974 4.994817 2313.106       55.62336 2291.421      76.78570 2337.050       80.68575 411.9803 6.921822 416.0146 7.202859 -4.034210      9.989635 
1 1 1 -1  23 4  o 347.5695 4.496397 1628.713       42.03209 1594.931      57.82418 1666.561       61.20445 343.7677 6.246849 351.3714 6.468942 -7.603699      8.992793 
1 1 1 -1  23 5  o 429.4725 5.100245 2491.225       58.97564 2481.111      82.79457 2501.642       84.02740 428.5951 7.174164 430.3498 7.251301 -1.754730      10.20049 
1 1 1 -1  23 6  o 362.8561 4.581071 1775.480       44.73089 1713.705      61.94142 1842.805       64.66447 356.2716 6.456788 369.4405 6.500366 -13.16891      9.162143 
1 1 1 -1  23 7  o 58.26711 11.57142 47.91399       18.87345 48.54571      27.58672 47.35812       25.87740 58.66602 16.67573 57.86820 16.04714 0.7978172      23.14283 
1 1 1 -1  23 8  o 53.06654 11.09755 34.61366       18.96421 64.84176      27.75783 8.153583       25.97022 67.41785 15.60004 38.71522 15.78800 28.70264       22.19509 
1 1 1 -1  23 9  o 83.53017 9.198240 95.37656       20.66571 97.86328      28.81129 92.74146       29.65857 84.68611 12.63477 82.37423 13.37136 2.311882       18.39648 
1 1 1 -1  23 10 o 88.28178 13.71226 106.6149       32.59594 0.000000      0.000000 106.6149       32.59594 ?        ?        88.28178 13.71226 ?              ?        
1 1 1 -1  23 11 o 206.3218 7.353652 576.3981       40.85371 576.3981      40.85371 0.000000       0.000000 206.3218 7.353652 ?        ?        ?              ?        
1 1 1 -1  23 12 o 118.9185 8.319943 193.7696       26.53965 208.4862      37.03896 178.2412       38.04679 123.6635 11.12330 114.1734 12.37570 9.490135       16.63989 
1 1 1 -1  23 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  23 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  23 15 o 72.71711 12.82611 79.46475       23.83749 75.18843      42.78187 81.39011       28.70648 70.58241 20.97531 74.85181 14.76729 -4.269409      25.65222 
1 1 1 -1  23 16 o 79.84483 11.83204 90.12287       23.57495 119.2970      41.29469 76.01696       28.71412 88.40665 17.95974 71.28302 15.40898 17.12363       23.66409 
1 1 1 -1  23 17 o 117.3104 8.584503 198.2651       25.38443 184.3243      43.40509 205.5116       31.29403 113.0174 14.26303 121.6034 9.557235 -8.585983      17.16901 
1 1 1 -1  23 18 o 160.7985 7.352965 367.6322       28.79625 360.6531      53.09105 370.5412       34.27617 158.0043 12.47869 163.5928 7.781168 -5.588486      14.70593 
1 1 1 -1  23 19 f 38.96995 12.13691 1.001548       25.92373 -43.55626     47.35818 20.06537       30.97691 35.55669 17.06920 42.38320 17.25864 -6.826504      24.27382 
1 1 1 -1  23 20 o 42.65987 13.26468 15.79311       27.85343 33.58983      48.19570 6.868201       34.13031 47.59483 20.56068 37.72492 16.76501 9.869915       26.52936 
1 1 1 -1  25 1  o 559.0654 6.330964 4236.059       95.29938 4218.458      133.9337 4254.109       135.6297 557.9049 8.915509 560.2260 8.991002 -2.321106      12.66193 
1 1 1 -1  25 2  o 306.4291 4.488400 1265.141       36.88845 1233.588      49.73706 1303.717       54.99454 302.2307 6.111646 310.6276 6.575007 -8.396942      8.976800 
1 1 1 -1  25 3  o 36.97084 16.39635 -10.37590      32.48458 0.000000      0.000000 -10.37590      32.48458 ?        ?        36.97084 16.39635 ?              ?        
1 1 1 -1  25 4  o 199.9765 4.843143 539.6039       26.03055 526.4848      35.57196 554.7278       38.19316 197.3817 6.692949 202.5712 7.002040 -5.189438      9.686286 
1 1 1 -1  25 5  o 231.7184 4.906612 726.4876       30.47296 730.5681      41.22832 721.5742       45.24123 232.4862 6.585898 230.9507 7.274979 1.535538       9.813225 
1 1 1 -1  25 6  f 112.8223 8.627143 178.9903       25.42691 205.7794      33.95539 144.7910       38.36525 122.9612 10.25551 102.6833 13.87569 20.27785       17.25429 
1 1 1 -1  25 7  o 335.7938 4.848933 1525.761       43.83640 1533.568      61.54702 1517.723       62.45091 336.6823 6.788963 334.9054 6.925214 1.776825       9.697865 
1 1 1 -1  25 8  o 93.19539 10.62317 120.6841       25.42443 87.66977      34.41381 160.3571       37.72502 78.16604 16.84698 108.2247 12.94552 -30.05870      21.24635 
1 1 1 -1  25 9  o 253.4406 5.210853 889.6213       35.33176 947.7262      48.42918 823.5038       51.66053 262.7280 6.845693 244.1532 7.858017 18.57477       10.42171 
1 1 1 -1  25 10 o 228.8432 8.593787 708.4814       52.95487 708.4814      52.95487 0.000000       0.000000 228.8432 8.593787 ?        ?        ?              ?        
1 1 1 -1  25 11 o 123.0841 13.33962 207.6226       44.21084 207.6226      44.21084 0.000000       0.000000 123.0841 13.33962 ?        ?        ?              ?        
1 1 1 -1  25 12 o 92.44482 11.26011 125.8584       26.31500 184.4865      38.34689 73.67521       36.17783 115.0064 12.38297 69.88328 18.81017 45.12309       22.52023 
1 1 1 -1  25 13 o 173.6856 5.822195 409.7581       27.04024 461.7769      41.30967 370.7607       35.76760 183.1434 8.376781 164.2278 8.088346 18.91559       11.64439 
1 1 1 -1  25 14 o 50.71554 13.40097 31.83448       25.50407 10.31743      41.31618 45.08106       32.41758 45.79741 19.38905 55.63367 18.50430 -9.836266      26.80194 
1 1 1 -1  25 15 o 49.73071 12.42311 13.43873       24.06432 75.96230      39.56434 -23.27309      30.31692 68.33212 20.13691 31.12930 14.55470 37.20283       24.84622 
1 1 1 -1  25 16 o 88.05954 11.91906 125.6192       26.70902 97.55314      41.62803 145.2573       34.82135 76.37196 20.00431 99.74711 12.96468 -23.37514      23.83811 
1 1 1 -1  25 17 o 86.64555 12.18176 126.4757       26.51425 106.7815      43.90136 137.7840       33.26666 77.24963 20.69070 96.04148 12.86373 -18.79185      24.36351 
1 1 1 -1  25 18 o 39.94399 12.24526 8.777892       26.92887 -36.28747     44.39696 35.00721       33.87079 33.70976 16.26974 46.17822 18.30521 -12.46846      24.49051 
1 1 1 -1  27 1  o 117.4930 10.75347 213.4638       29.74814 257.0940      37.82941 142.7629       48.15578 136.7735 10.27175 98.21259 18.89549 38.56087       21.50694 
1 1 1 -1  27 2  o 176.0966 7.230835 436.0087       32.95969 480.5372      42.62358 369.7831       51.98093 188.0129 8.419357 164.1804 11.75816 23.83252       14.46167 
1 1 1 -1  27 3  o 239.0728 5.845229 779.1243       37.30994 829.8270      50.68461 719.1532       55.12279 247.7206 7.598547 230.4251 8.884194 17.29558       11.69046 
1 1 1 -1  27 4  o 187.9600 7.038529 465.7578       35.09064 374.9262      45.81453 594.6693       54.57961 166.3492 10.22820 209.5708 9.672000 -43.22156      14.07706 
1 1 1 -1  27 5  o 62.66055 20.45297 52.50812       39.67345 52.50812      39.67345 0.000000       0.000000 62.66055 20.45297 ?        ?        ?              ?        
1 1 1 -1  27 6  o 31.38976 10.74505 -82.62889      30.00274 -30.03634     38.75929 -161.2546      47.39100 36.25535 16.78198 26.52417 13.42348 9.731182       21.49010 
1 1 1 -1  27 7  o 53.94969 14.20274 41.04203       26.54911 33.87510      32.85110 54.53682       45.07821 49.19884 18.40432 58.70053 21.63684 -9.501686      28.40549 
1 1 1 -1  27 8  o 135.7286 7.840769 252.5300       27.93761 245.9597      35.55046 263.1402       45.17673 133.7947 9.867860 137.6625 12.18753 -3.867783      15.68154 
1 1 1 -1  27 9  o 43.52083 13.08294 8.253558       26.65105 16.76659      33.49848 -6.427362      43.99057 44.33929 17.98781 42.70238 19.00241 1.636909       26.16587 
1 1 1 -1  27 10 o 200.0708 8.051062 549.8683       43.37309 549.8683      43.37309 0.000000       0.000000 200.0708 8.051062 ?        ?        ?              ?        
1 1 1 -1  27 11 o 101.9301 10.40451 150.5931       28.31026 163.5834      38.91251 135.9851       41.26444 107.1614 13.48552 96.69876 15.84790 10.46261       20.80902 
1 1 1 -1  27 12 o 116.7303 9.202130 197.0540       28.83139 202.8622      39.66640 190.5488       41.97933 118.9266 12.38684 114.5340 13.61187 4.392624       18.40426 
1 1 1 -1  27 13 o 77.84703 13.69021 97.34279       28.53658 79.17223      37.54496 122.1996       43.91271 69.24206 19.37481 86.45200 19.34695 -17.20995      27.38043 
1 1 1 -1  27 14 o 57.69198 14.05731 56.72857       26.98045 66.44532      35.95879 44.21150       40.81273 62.24395 19.37997 53.14000 20.36783 9.103951       28.11462 
1 1 1 -1  27 15 o 62.36565 14.37669 73.06661       27.75648 69.76656      39.37849 76.32513       39.12988 60.93523 20.39727 63.79607 20.26594 -2.860844      28.75338 
1 1 1 -1  27 16 f 34.43579 11.46082 -15.99810      27.15738 -1.699751     40.64014 -27.53446      36.50452 37.48533 17.29249 31.38626 15.04563 6.099073       22.92163 
1 1 1 -1  29 1  o 41.41589 12.72458 -1.065555      25.94772 -10.84008     33.30678 14.02657       41.38662 36.15066 16.27541 46.68111 19.56453 -10.53046      25.44916 
1 1 1 -1  29 2  o 59.70256 14.11997 48.56216       26.36700 33.32446      33.17232 74.70714       43.45207 50.47403 18.56745 68.93109 21.27778 -18.45706      28.23994 
1 1 1 -1  29 3  o 157.6230 6.800332 341.5357       28.42874 330.3405      36.88203 357.9243       44.62387 154.7961 8.848536 160.4499 10.32867 -5.653793      13.60066 
1 1 1 -1  29 4  o 114.3116 8.501223 175.9574       25.62230 141.3068      32.69221 231.1342       41.25413 100.2875 12.10637 128.3358 11.93813 -28.04826      17.00245 
1 1 1 -1  29 5  o 55.33357 13.97330 41.28289       25.41428 36.14878      31.58181 50.71621       42.80916 51.31902 18.21656 59.34813 21.19361 -8.029106      27.94660 
1 1 1 -1  29 6  o 55.33813 12.99821 28.05923       24.65892 -3.051941     30.28230 89.28998       42.48302 36.20075 15.95363 74.47552 20.52549 -38.27477      25.99642 
1 1 1 -1  29 7  o 48.48230 13.29683 29.28448       24.88038 35.94176      31.66831 18.54827       40.21628 50.34356 18.19867 46.62104 19.39151 3.722511       26.59365 
1 1 1 -1  29 8  o 154.9458 6.627697 323.9068       26.78814 290.2062      33.30959 385.6118       45.07242 144.4404 8.564406 165.4512 10.11714 -21.01083      13.25539 
1 1 1 -1  29 9  o 52.36497 13.94381 40.27277       26.99089 48.13158      34.06307 27.01335       44.24532 55.22205 18.96647 49.50790 20.44486 5.714149       27.88762 
1 1 1 -1  29 10 o 68.25369 13.91843 76.18618       26.96875 56.93119      34.66936 105.6909       42.91605 58.30151 19.12398 78.20589 20.22781 -19.90438      27.83686 
1 1 1 -1  29 11 o 64.49940 14.51058 77.41859       29.00726 87.62626      37.41205 62.03282       45.93119 70.59830 19.18125 58.40049 21.77860 12.19782       29.02116 
1 1 1 -1  29 12 f 40.94777 12.24486 4.618830       27.92028 45.68145      35.40438 -62.92318      45.40677 50.69778 19.07843 31.19775 15.35448 19.50003       24.48972 
1 1 1 -1  29 13 o 50.70134 13.90590 39.32774       28.22914 9.442051      35.98067 87.17635       45.52734 38.40070 17.12961 63.00197 21.91056 -24.60127      27.81180 
1 1 1 -1  31 1  o 125.1487 7.915071 228.1192       26.33960 235.4865      35.05457 218.5663       39.91696 128.2736 10.14901 122.0237 12.14870 6.249893       15.83014 
1 1 1 -1  31 2  f 71.78580 12.82412 86.79411       24.55950 89.21970      31.71958 83.16338       38.80741 74.46024 16.27480 69.11135 19.82329 5.348885       25.64823 
1 1 1 -1  31 3  o 69.73840 12.71662 84.46815       24.30333 95.96830      31.30524 67.02292       38.55705 77.72813 15.50104 61.74867 20.16353 15.97946       25.43324 
1 1 1 -1  31 4  o 47.28774 13.20762 31.82322       25.13157 39.69942      31.60249 18.27302       41.45110 49.88079 18.15696 44.69469 19.18567 5.186104       26.41524 
1 1 1 -1  31 5  o 68.96185 13.27384 85.88503       25.61530 95.67352      32.80010 70.58219       41.01129 76.13625 16.47747 61.78745 20.81519 14.34880       26.54768 
1 1 1 -1  31 6  o 46.72573 12.38652 13.44099       24.69850 -28.00238     31.80316 76.41939       39.20474 29.77659 14.21126 63.67488 20.29147 -33.89828      24.77304 
1 1 1 -1  31 7  f 68.03552 13.33750 84.56451       24.82468 77.41860      31.73983 95.82298       39.83964 65.64423 17.59745 70.42682 20.04708 -4.782593      26.67500 
1 1 1 -1  31 8  o 39.41573 12.33391 2.118800       25.39982 -20.06250     31.71087 41.82237       42.42574 30.45667 14.43684 48.37478 20.00197 -17.91811      24.66782 
1 1 1 -1  31 9  o 59.20222 14.16849 63.73785       27.71358 34.56997      35.04456 112.4299       45.27905 45.37973 18.40231 73.02472 21.54853 -27.64499      28.33697 
1 1 1 0   0  1  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  2  o 8.631098 5.989917 -4.268074      4.861897 -4.268074     4.861897 0.000000       0.000000 8.631098 5.989917 8.631098 5.989917 -0.000000      0.000000 
1 1 1 0   0  3  o 514.5502 7.814403 3555.933       107.8144 3743.281      160.3473 3401.346       145.6546 526.8674 11.31434 502.2328 10.78171 -0.000000      0.000000 
1 1 1 0   0  4  o 318.6278 5.161577 1367.889       44.19613 1399.269      64.05806 1339.381       61.05550 322.1105 7.394395 315.1451 7.203500 -0.000000      0.000000 
1 1 1 0   0  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  6  o 1301.419 19.55098 22845.06       683.0848 23777.13      1004.656 22043.71       931.5375 1325.971 28.16714 1276.867 27.12149 -0.000000      0.000000 
1 1 1 0   0  7  o 445.1082 7.141556 2667.628       85.35465 2750.825      125.0224 2594.997       116.8146 451.5909 10.29364 438.6255 9.901934 -0.000000      0.000000 
1 1 1 0   0  8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  9  o 394.6790 6.724514 2099.891       71.27854 2127.898      103.7602 2074.864       98.08517 397.1568 9.715677 392.2012 9.299569 -0.000000      0.000000 
1 1 1 0   0  10 o 603.2017 9.543786 4908.582       154.8275 4870.339      219.5987 4946.382       218.3252 600.8538 13.58875 605.5496 13.40453 -0.000000      0.000000 
1 1 1 0   0  11 o 138.5174 8.079435 262.5836       29.13965 269.4046      45.88375 257.9729       37.72367 139.7924 12.41488 137.2425 10.34310 -0.000000      0.000000 
1 1 1 0   0  12 o 45.22024 16.55232 28.14007       27.89602 69.65070      45.83359 3.714867       35.15793 59.73243 26.74682 30.70805 19.50703 -0.000000      0.000000 
1 1 1 0   0  13 o 446.4939 7.937151 2694.264       94.91279 2688.162      140.5095 2699.385       128.7182 445.9551 11.71951 447.0327 10.70731 -0.000000      0.000000 
1 1 1 0   0  14 o 401.0134 7.809048 2182.947       83.80553 2086.138      122.7380 2267.500       114.7071 392.5286 11.63560 409.4981 10.41815 -0.000000      0.000000 
1 1 1 0   0  15 o 56.76922 19.90301 64.07611       34.95765 57.70706      68.56098 66.31358       40.63674 55.18073 30.84497 58.35772 25.16160 -0.000000      0.000000 
1 1 1 0   0  16 o 199.7303 10.12525 511.9984       46.13548 621.7731      97.42764 480.2678       52.38057 211.7868 17.35240 187.6738 10.43918 -0.000000      0.000000 
1 1 1 0   0  17 o 222.6078 10.60449 701.5633       55.91640 631.1365      103.4113 730.6623       66.47191 213.3237 18.31354 231.8920 10.69743 -0.000000      0.000000 
1 1 1 0   0  18 o 545.9130 10.27006 3969.398       145.5945 4301.979      243.3638 3784.010       181.6972 563.0494 16.08156 528.7765 12.77809 -0.000000      0.000000 
1 1 1 0   0  19 o 163.9213 13.41697 370.0674       58.30789 0.000000      0.000000 370.0674       58.30789 163.9213 13.41697 163.9213 13.41697 -0.000000      0.000000 
1 1 1 0   0  20 o 28.81671 20.23358 -64.95286      60.17049 0.000000      0.000000 -64.95286      60.17049 28.81671 20.23358 28.81671 20.23358 -0.000000      0.000000 
1 1 1 0   0  21 o 141.5077 17.65738 284.4367       64.45001 0.000000      0.000000 284.4367       64.45001 141.5077 17.65738 141.5077 17.65738 -0.000000      0.000000 
1 1 1 0   0  22 o 497.6621 13.06719 3365.519       174.8328 0.000000      0.000000 3365.519       174.8328 497.6621 13.06719 497.6621 13.06719 -0.000000      0.000000 
1 1 1 0   0  23 o 117.2934 35.49450 239.0079       97.80352 0.000000      0.000000 239.0079       97.80352 117.2934 35.49450 117.2934 35.49450 -0.000000      0.000000 
1 1 1 0   0  24 o 137.0885 36.50503 312.6347       116.4328 0.000000      0.000000 312.6347       116.4328 137.0885 36.50503 137.0885 36.50503 -0.000000      0.000000 
1 1 1 0   0  25 o 59.01062 36.34790 60.60099       112.5967 0.000000      0.000000 60.60099       112.5967 59.01062 36.34790 59.01062 36.34790 -0.000000      0.000000 
1 1 1 0   0  26 o 53.15959 33.50558 44.74468       101.4947 0.000000      0.000000 44.74468       101.4947 53.15959 33.50558 53.15959 33.50558 -0.000000      0.000000 
1 1 1 0   0  27 o 26.13198 19.00455 -140.3895      75.95452 0.000000      0.000000 -140.3895      75.95452 26.13198 19.00455 26.13198 19.00455 -0.000000      0.000000 
1 1 1 0   0  28 o 56.42124 21.84182 87.22350       64.46228 -64.78117     113.5100 159.5833       78.31667 36.85029 26.23389 75.99219 34.92912 -0.000000      0.000000 
1 1 1 0   2  0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  1  o 9.136675 3.873822 -3.118466      1.337564 0.1931884E-01 1.653115 -9.067036      2.276134 9.136675 3.873822 ?        ?        ?              ?        
1 1 1 0   2  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  3  o 1659.404 24.80013 37255.26       1108.124 37305.61      1568.932 37205.14       1565.323 1660.519 35.08949 1658.289 35.05585 2.229614       49.60025 
1 1 1 0   2  4  o 239.4420 3.821527 752.7921       24.13231 683.9301      30.63647 865.3699       39.17197 225.3749 5.048355 253.5091 5.738500 -28.13426      7.643054 
1 1 1 0   2  5  o 1543.632 23.13082 32181.72       961.4313 32181.72      961.4313 0.000000       0.000000 1543.632 23.13082 ?        ?        ?              ?        
1 1 1 0   2  6  o 125.4031 3.770124 208.9038       12.57590 229.6332      19.69539 194.6346       16.34072 130.5829 5.601381 120.2234 5.047759 10.35944       7.540248 
1 1 1 0   2  7  o 548.7090 8.406299 4056.709       124.2020 4040.781      175.4153 4072.722       175.8819 547.6287 11.89591 549.7892 11.88068 -2.160583      16.81260 
1 1 1 0   2  8  o 663.9421 8.752429 5978.415       149.5699 6075.645      186.7582 5804.506       249.7696 671.5945 10.32735 656.2897 14.13385 15.30481       17.50486 
1 1 1 0   2  9  o 1254.321 18.92394 21218.99       639.1514 0.000000      0.000000 21218.99       639.1514 ?        ?        1254.321 18.92394 ?              ?        
1 1 1 0   2  10 o 776.5171 8.496083 8095.046       177.2221 8532.387      261.8870 7725.576       240.7099 795.7869 12.22176 757.2474 11.80518 38.53949       16.99217 
1 1 1 0   2  11 o 153.8168 5.131576 318.5707       21.24998 314.2749      29.70752 323.0717       30.40877 152.7555 7.222478 154.8781 7.291645 -2.122559      10.26315 
1 1 1 0   2  12 o 130.9545 6.267104 231.2040       22.07312 229.1622      31.92076 233.0750       30.55615 130.3968 9.091233 131.5121 8.628780 -1.115341      12.53421 
1 1 1 0   2  13 f 298.6665 4.834601 1200.994       38.85238 1262.283      56.07779 1144.417       53.87926 305.9863 6.806213 291.3467 6.867965 14.63953       9.669203 
1 1 1 0   2  14 o 517.9661 6.359948 3608.934       88.28386 3461.804      118.2806 3794.003       132.6570 506.1711 8.678259 529.7609 9.299655 -23.58978      12.71990 
1 1 1 0   2  15 o 196.0211 6.077612 519.2100       32.03964 484.1697      44.60633 556.5551       46.04993 189.1786 8.756712 202.8635 8.430271 -13.68492      12.15522 
1 1 1 0   2  16 o 55.67059 14.48470 34.71979       28.37203 34.78912      43.19920 34.66720       37.62424 56.66394 21.12295 54.67725 19.82541 1.986694       28.96939 
1 1 1 0   2  17 o 275.6758 6.162106 1026.960       45.73153 1024.867      63.97675 1029.147       65.39487 275.3988 8.627335 275.9527 8.800870 -0.5538940     12.32421 
1 1 1 0   2  18 o 193.0508 7.850969 503.5082       40.74152 518.8236      59.71170 490.1678       55.72871 195.7722 11.32726 190.3295 10.87401 5.442719       15.70194 
1 1 1 0   2  19 o 214.8168 7.605902 618.1200       43.63381 666.1279      67.00007 582.7623       57.49891 221.9580 11.21040 207.6756 10.28231 14.28249       15.21180 
1 1 1 0   2  20 o 575.3781 7.654671 4477.389       118.5477 4625.448      167.7613 4329.716       167.5424 584.9205 10.65152 565.8357 10.99641 19.08478       15.30934 
1 1 1 0   2  21 o 241.8915 7.894215 785.8031       51.11634 876.4323      77.57050 716.2432       67.95827 254.0555 11.33926 229.7274 10.98616 24.32805       15.78843 
1 1 1 0   2  22 o 257.9110 7.988966 909.0104       55.23623 847.9811      80.10820 964.3244       76.26508 249.4664 11.92563 266.3556 10.63361 -16.88914      15.97793 
1 1 1 0   2  23 o 96.28458 20.66818 132.1117       61.66323 200.4430      89.64026 70.73257       84.95797 114.8971 28.97832 77.67202 29.47798 37.22512       41.33636 
1 1 1 0   2  24 o 48.67000 17.09152 -261.4787      80.49066 -195.1528     126.5766 -306.5078      104.2939 55.86737 27.08591 41.47263 20.85267 14.39474       34.18304 
1 1 1 0   2  25 o 109.1764 23.72546 206.0163       76.43833 206.9050      104.9080 205.0105       111.6026 109.8099 32.89466 108.5430 34.19840 1.266861       47.45091 
1 1 1 0   2  26 o 167.2737 17.24036 449.1544       74.01915 549.2339      105.8618 353.4265       103.5347 189.7486 20.71941 144.7987 27.56132 44.94986       34.48072 
1 1 1 0   2  27 o 60.03822 18.63072 41.17625       57.78778 42.16588      84.03188 40.28834       79.59687 60.52114 26.62730 59.55529 26.06534 0.9658432      37.26144 
1 1 1 0   2  28 o 40.15858 13.82251 -36.12537      40.12426 -22.65012     80.67822 -40.55371      46.24968 45.92023 22.10440 34.39693 16.60250 11.52330       27.64503 
1 1 1 0   4  0  o 1024.482 15.26246 14142.81       420.9993 14243.72      599.6959 14044.76       591.1617 1028.081 21.66309 1020.883 21.50538 7.198425       30.52492 
1 1 1 0   4  1  o 738.6634 7.793198 7349.133       154.9925 7402.562      220.8793 7297.306       217.5438 741.3064 11.06557 736.0204 10.97674 5.286011       15.58640 
1 1 1 0   4  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   4  3  o 1228.736 12.96937 20356.45       429.0999 20325.54      605.7087 20387.59       607.9755 1227.801 18.32113 1229.670 18.36175 -1.868530      25.93873 
1 1 1 0   4  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   4  5  o 349.2108 3.805287 1641.833       35.77634 1620.300      50.07767 1664.280       51.12949 346.8731 5.361547 351.5486 5.401356 -4.675476      7.610573 
1 1 1 0   4  6  o 818.6318 8.662792 9018.344       190.7449 9292.451      277.7198 8773.576       262.4366 830.3793 12.42073 806.8843 12.07897 23.49506       17.32558 
1 1 1 0   4  7  o 264.6539 3.862440 952.2743       25.98268 971.6250      32.03123 915.0453       44.42890 268.6293 4.428298 260.6785 6.329609 7.950775       7.724881 
1 1 1 0   4  8  o 1537.042 20.03506 31524.30       768.1143 30875.31      921.4379 33002.42       1390.598 1512.508 22.62481 1561.575 33.07163 -49.06653      40.07012 
1 1 1 0   4  9  o 806.7715 10.54957 8846.626       220.2045 9042.516      277.2023 8511.589       362.5249 819.1357 12.56775 794.4072 16.94772 24.72858       21.09914 
1 1 1 0   4  10 o 573.3040 7.646078 4413.077       110.5895 4385.321      134.4256 4471.201       194.5280 570.5925 8.749284 576.0155 12.54193 -5.423035      15.29216 
1 1 1 0   4  11 o 361.2354 6.227489 1757.524       60.53273 1770.751      87.37949 1745.319       83.93668 362.5378 8.951025 359.9329 8.660579 2.604980       12.45498 
1 1 1 0   4  12 o 88.51639 9.013189 106.3767       21.15507 102.2114      32.55477 109.4212       27.83271 86.98453 13.89918 90.04825 11.47881 -3.063721      18.02638 
1 1 1 0   4  13 o 432.1548 6.486522 2499.100       72.48245 2444.345      90.17813 2599.039       121.8314 425.6771 7.867516 438.6325 10.31514 -12.95547      12.97304 
1 1 1 0   4  14 o 121.6753 8.507235 203.9118       27.35027 161.9845      39.21767 243.6126       38.16216 109.2066 13.33674 134.1441 10.56520 -24.93758      17.01447 
1 1 1 0   4  15 o 89.70860 11.99912 112.4570       28.21940 137.8747      40.88033 89.32090       39.00240 100.4240 15.11797 78.99320 18.63766 21.43079       23.99824 
1 1 1 0   4  16 f 84.41389 13.63841 103.8166       30.21832 86.81551      46.18966 116.5381       39.95536 77.97659 21.36593 90.85120 16.95648 -12.87461      27.27682 
1 1 1 0   4  17 f 291.9373 6.380065 1142.952       49.64666 1094.477      65.13896 1210.140       76.68831 284.6658 8.498106 299.2087 9.518566 -14.54291      12.76013 
1 1 1 0   4  18 o 148.5335 8.930408 301.4338       35.17244 283.3557      53.74749 314.9741       46.51534 144.5120 13.81245 152.5551 11.32365 -8.043060      17.86082 
1 1 1 0   4  19 o 99.61637 12.98511 139.1023       33.77793 118.8083      48.94372 157.5589       46.67538 91.53254 20.38153 107.7002 16.09489 -16.16766      25.97022 
1 1 1 0   4  20 o 47.86014 14.41520 -19.00754      36.48357 -77.95227     54.05754 30.30124       49.44198 37.92637 18.21470 57.79390 22.34762 -19.86753      28.83039 
1 1 1 0   4  21 o 321.3514 7.091850 1402.028       61.19572 1419.531      83.79486 1382.024       89.58237 323.5988 9.616721 319.1040 10.42574 4.494812       14.18370 
1 1 1 0   4  22 o 78.76095 19.21454 82.46858       49.29810 84.52657      73.40994 80.77813       66.53242 79.91764 27.82077 77.60426 26.51036 2.313385       38.42908 
1 1 1 0   4  23 o 109.9881 21.87932 183.6223       67.67767 205.5081      97.83262 163.5374       93.72108 115.9815 30.80599 103.9948 31.07748 11.98661       43.75865 
1 1 1 0   4  24 o 224.6108 19.20315 667.9251       112.7066 931.5322      186.6886 516.7485       141.3779 257.5430 26.92059 191.6785 27.39207 65.86453       38.40630 
1 1 1 0   4  25 o 188.8548 17.40896 560.2729       85.07200 546.1722      138.3951 568.8371       107.8556 182.9349 28.09577 194.7748 20.56491 -11.83992      34.81792 
1 1 1 0   4  26 o 77.11935 21.66833 89.43166       68.78226 159.9382      105.2724 36.91212       90.85739 89.96323 33.07928 64.27546 27.99693 25.68777       43.33667 
1 1 1 0   4  27 o 73.28030 20.20502 110.6536       57.26316 117.4498      86.01288 105.2435       76.74237 74.38135 29.27001 72.17927 27.86104 2.202080       40.41003 
1 1 1 0   4  28 o 50.26144 16.05406 38.59405       46.01144 39.47757      60.42887 37.37518       70.97629 49.97968 22.25389 50.54319 23.14511 -0.5635109     32.10813 
1 1 1 0   6  0  o 807.4450 12.06243 8776.464       262.0564 8575.020      362.1071 8997.991       379.7280 797.7344 16.85758 817.1556 17.25776 -19.42126      24.12485 
1 1 1 0   6  1  o 484.6617 5.160105 3162.878       67.33044 3127.473      94.20580 3199.850       96.26688 481.8905 7.260155 487.4330 7.334637 -5.542480      10.32021 
1 1 1 0   6  2  o 860.7892 9.093305 9987.417       210.7654 9963.199      297.4304 10011.84       298.7083 859.7421 12.84795 861.8364 12.87179 -2.094360      18.18661 
1 1 1 0   6  3  o 969.2172 10.23655 12665.05       267.0937 12509.87      373.0682 12828.23       382.5658 963.1384 14.38521 975.2960 14.56754 -12.15759      20.47309 
1 1 1 0   6  4  o 408.7116 4.403713 2249.452       48.46064 2262.213      69.01549 2237.042       68.06184 409.8544 6.253650 407.5688 6.201823 2.285645       8.807425 
1 1 1 0   6  5  o 487.6233 5.214345 3202.201       68.46474 3194.350      96.76518 3210.072       96.88247 487.0247 7.378783 488.2220 7.369610 -1.197296      10.42869 
1 1 1 0   6  6  o 1208.146 12.75446 19672.91       414.7948 19385.44      578.0903 19977.98       595.5147 1199.065 17.90480 1217.226 18.16929 -18.16077      25.50892 
1 1 1 0   6  7  o 1334.891 14.09408 23973.13       505.5679 23113.87      688.9595 24975.70       744.1926 1309.089 19.54525 1360.694 20.31148 -51.60522      28.18817 
1 1 1 0   6  8  o 985.2885 14.73984 13088.01       391.0566 0.000000      0.000000 13088.01       391.0566 ?        ?        985.2885 14.73984 ?              ?        
1 1 1 0   6  9  o 1058.826 11.20569 15110.81       319.4228 14932.63      446.5668 15297.49       457.0808 1052.444 15.75811 1065.207 15.93586 -12.76367      22.41137 
1 1 1 0   6  10 o 923.4994 12.05785 11466.77       280.9183 11390.56      341.4536 11626.40       494.1767 919.1267 13.79663 927.8720 19.77929 -8.745300      24.11571 
1 1 1 0   6  11 o 299.4531 5.453644 1205.958       43.93249 1147.356      60.63329 1270.726       63.74315 291.8089 7.716656 307.0972 7.708578 -15.28827      10.90729 
1 1 1 0   6  12 o 536.9071 7.275104 3894.645       98.76928 3897.160      120.5401 3889.507       172.3009 537.4625 8.329136 536.3518 11.93038 1.110657       14.55021 
1 1 1 0   6  13 o 190.0623 4.597587 497.0734       20.93089 509.3335      24.68686 465.7248       39.47533 194.4024 4.716077 185.7223 7.893658 8.680054       9.195173 
1 1 1 0   6  14 o 163.8841 5.385738 383.3975       21.05540 411.6186      25.13673 317.0339       38.54672 174.7062 5.343393 153.0620 9.352692 21.64415       10.77148 
1 1 1 0   6  15 o 83.18997 10.82180 116.0350       19.19938 133.0924      22.07957 63.14951       38.87785 99.21430 8.264812 67.16565 20.00346 32.04865       21.64360 
1 1 1 0   6  16 o 102.7328 9.579159 154.1010       21.44183 162.4660      24.77495 129.1356       42.80052 109.6531 8.390897 95.81240 17.22306 13.84072       19.15832 
1 1 1 0   6  17 o 243.3605 6.591551 799.1860       43.16100 842.2053      62.27150 759.4119       59.87664 249.6604 9.263099 237.0607 9.380254 12.59975       13.18310 
1 1 1 0   6  18 o 68.66815 11.32708 79.64947       22.92384 111.0455      27.22100 3.082473       42.50965 90.61767 11.15598 46.71864 19.71686 43.89902       22.65415 
1 1 1 0   6  19 o 227.1778 6.033645 715.9925       33.22791 743.2262      39.63266 651.5582       60.96194 234.7880 6.268937 219.5675 10.31115 15.22050       12.06729 
1 1 1 0   6  20 o 78.90740 13.66175 84.40900       25.72219 80.24828      29.55076 97.41777       52.25188 75.37446 15.08646 82.44035 22.78097 -7.065887      27.32350 
1 1 1 0   6  21 o 121.8998 10.23434 215.5709       27.38730 225.6762      31.25927 182.1918       56.81206 129.0435 8.996204 114.7561 18.38574 14.28734       20.46869 
1 1 1 0   6  22 o 136.3501 10.79070 177.0786       32.83818 117.3421      36.27893 447.9482       77.25285 92.43600 14.57572 180.2641 15.91556 -87.82813      21.58139 
1 1 1 0   6  23 o 200.6489 10.49239 610.2027       44.15055 644.4926      49.86558 485.8035       94.97884 217.3684 8.519637 183.9295 19.17751 33.43886       20.98478 
1 1 1 0   6  24 o 137.6871 18.63670 307.8103       51.87303 318.1827      57.58249 263.1492       119.4856 150.9752 14.16450 124.3989 34.47714 26.57632       37.27340 
1 1 1 0   6  25 f 88.73820 17.73087 135.7240       40.62093 141.2501      45.57441 114.3682       89.59288 96.18681 18.26428 81.28960 30.39657 14.89721       35.46174 
1 1 1 0   6  26 o 88.80229 14.57633 162.7181       38.16880 205.3930      43.80344 28.11475       77.79469 118.8524 13.68727 58.75213 25.73978 60.10032       29.15266 
1 1 1 0   6  27 o 50.62236 15.85652 19.96305       37.97855 12.13473      44.04962 42.63645       74.96635 44.34605 19.40005 56.89867 25.08694 -12.55262      31.71303 
1 1 1 0   6  28 o 47.89130 15.32891 15.23822       34.19274 -7.263266     38.44531 100.4036       74.79444 35.66478 16.57951 60.11781 25.78800 -24.45304      30.65781 
1 1 1 0   8  0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   8  1  o 377.3391 4.096109 1917.074       41.61355 1933.684      59.40309 1901.069       58.31293 378.9435 5.821719 375.7348 5.763682 3.208618       8.192219 
1 1 1 0   8  2  o 950.1475 10.03927 12167.30       256.8474 12143.12      362.7037 12191.61       363.7728 949.2013 14.19091 951.0938 14.20442 -1.892456      20.07853 
1 1 1 0   8  3  o 1010.219 10.66467 13754.33       290.0985 13770.42      410.8107 13738.33       409.7141 1010.808 15.09349 1009.631 15.07075 1.176941       21.32934 
1 1 1 0   8  4  o 1120.580 16.73034 16928.17       504.8138 16928.17      504.8138 0.000000       0.000000 1120.580 16.73034 ?        ?        ?              ?        
1 1 1 0   8  5  o 1379.736 20.61786 25684.56       765.9898 0.000000      0.000000 25684.56       765.9898 ?        ?        1379.736 20.61786 ?              ?        
1 1 1 0   8  6  o 1630.470 17.22262 35856.70       755.3851 36864.43      1098.003 34951.17       1040.839 1652.126 24.68182 1608.815 24.02670 43.31140       34.44524 
1 1 1 0   8  7  o 451.0588 4.888128 2738.814       59.35577 2691.363      82.88113 2788.774       85.04414 447.0500 6.885193 455.0675 6.940411 -8.017487      9.776257 
1 1 1 0   8  8  o 845.2648 8.961878 9628.014       203.9632 9681.921      290.2491 9575.425       286.6792 847.5992 12.71736 842.9304 12.63051 4.668823       17.92376 
1 1 1 0   8  9  o 388.1208 4.313373 2028.567       45.07549 2040.522      64.17236 2016.924       63.32876 389.2490 6.122617 386.9926 6.077360 2.256409       8.626746 
1 1 1 0   8  10 o 337.8572 5.502351 1537.456       50.05700 0.000000      0.000000 1537.456       50.05700 ?        ?        337.8572 5.502351 ?              ?        
1 1 1 0   8  11 o 109.3962 5.353366 161.2572       15.76931 0.000000      0.000000 161.2572       15.76931 ?        ?        109.3962 5.353366 ?              ?        
1 1 1 0   8  12 o 217.1664 3.226822 635.1311       18.86151 622.4832      26.22428 648.6858       27.14812 214.9293 4.531317 219.4035 4.595289 -4.474197      6.453644 
1 1 1 0   8  13 o 234.8527 4.541080 760.9857       26.17153 786.7046      31.43865 702.9310       47.23420 241.5757 4.833117 228.1297 7.689382 13.44600       9.082159 
1 1 1 0   8  14 o 359.9412 5.575416 1762.317       49.99144 1781.542      60.37254 1720.380       89.16611 363.3463 6.170712 356.5359 9.287807 6.810394       11.15083 
1 1 1 0   8  15 o 227.0620 5.452621 721.7410       30.91019 771.4255      38.02583 624.9657       53.07014 239.1496 5.905079 214.9744 9.168116 24.17517       10.90524 
1 1 1 0   8  16 o 41.97702 11.54396 17.10191       17.25301 25.08684      18.83198 -24.61388      43.04379 43.62181 14.08065 40.33222 18.29720 3.289597       23.08792 
1 1 1 0   8  17 o 266.0886 5.527887 964.4438       34.63285 974.0759      40.29860 937.2307       67.73566 268.8134 5.567441 263.3639 9.551636 5.449463       11.05577 
1 1 1 0   8  18 o 245.5649 5.720164 848.2580       34.82825 912.5331      42.69656 720.4424       60.20926 260.1775 6.094524 230.9523 9.681832 29.22519       11.44033 
1 1 1 0   8  19 o 294.5641 6.011844 1192.954       43.39049 1224.737      51.96497 1119.767       78.85488 301.3524 6.404018 287.7757 10.17633 13.57678       12.02369 
1 1 1 0   8  20 o 282.7310 6.153009 1072.812       40.54004 1063.693      46.71352 1100.634       81.59625 280.6965 6.180480 284.7655 10.64142 -4.069031      12.30602 
1 1 1 0   8  21 o 125.0435 10.96727 223.9177       29.15857 230.3260      32.75419 199.4427       64.01116 130.3242 9.333798 119.7628 19.84954 10.56142       21.93454 
1 1 1 0   8  22 f 108.5904 15.97435 190.2800       37.81781 205.7538      42.62989 133.1131       81.93841 122.5517 12.91848 94.62914 29.22040 27.92254       31.94869 
1 1 1 0   8  23 o 57.98420 18.13051 -33.45891      49.20518 -56.17894     57.04206 32.60579       97.26923 42.24738 19.82014 73.72102 30.36484 -31.47364      36.26102 
1 1 1 0   8  24 o 111.1191 16.99385 210.4385       41.27774 225.4244      46.15738 150.5917       92.24017 126.9574 13.50205 95.28088 31.19067 31.67651       33.98769 
1 1 1 0   8  25 o 58.91319 16.58781 42.29594       37.17445 53.48151      41.74333 -0.5748731     81.72202 60.41438 20.98198 57.41201 25.69783 3.002361       33.17562 
1 1 1 0   8  26 o 72.82254 17.59135 85.55743       35.79676 76.56622      40.12627 120.6079       79.22581 67.67078 20.36036 77.97430 28.69283 -10.30351      35.18270 
1 1 1 0   8  27 o 42.28017 14.12561 -8.789392      35.75845 -5.818510     40.16127 -20.15410      78.54955 37.99454 17.40299 46.56578 22.25460 -8.571239      28.25122 
1 1 1 0   10 0  o 255.0467 4.253591 875.8558       29.21067 875.1473      41.48740 876.5522       41.13510 254.9444 6.043486 255.1491 5.987356 -0.2047729     8.507182 
1 1 1 0   10 1  o 555.1060 5.934217 4148.777       88.68170 4093.035      123.9005 4207.329       126.9861 551.2849 8.346678 558.9271 8.437577 -7.642151      11.86843 
1 1 1 0   10 2  o 620.5602 6.610133 5185.085       110.4259 5112.603      154.1113 5261.566       158.3049 616.1062 9.289564 625.0141 9.406351 -8.907898      13.22027 
1 1 1 0   10 3  o 563.7563 6.029964 4280.676       91.53535 4281.074      129.5694 4280.280       129.3320 563.7823 8.535081 563.7305 8.520227 0.5181885E-01  12.05993 
1 1 1 0   10 4  o 556.7010 5.959345 4173.567       89.31798 4215.583      127.6473 4133.261       125.0230 559.4445 8.473664 553.9577 8.381658 5.486755       11.91869 
1 1 1 0   10 5  o 904.0286 9.571351 11012.68       232.9810 11070.82      331.3125 10955.80       327.6872 906.3865 13.57504 901.6706 13.49672 4.715881       19.14270 
1 1 1 0   10 6  o 591.9647 6.341413 4719.040       101.0604 4774.950      144.6436 4665.714       141.2586 595.3878 9.022270 588.5416 8.913626 6.846252       12.68283 
1 1 1 0   10 7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 8  o 993.0047 14.90505 13307.92       398.5366 13307.92      398.5366 0.000000       0.000000 993.0047 14.90505 ?        ?        ?              ?        
1 1 1 0   10 9  o 263.9178 3.242934 934.1311       22.94928 979.9984      34.36027 897.1917       30.83545 269.7382 4.730758 258.0974 4.436938 11.64081       6.485868 
1 1 1 0   10 10 o 290.2672 3.506154 1135.252       27.40294 1125.144      38.77348 1145.340       38.73378 288.9751 4.983002 291.5594 4.933778 -2.584290      7.012309 
1 1 1 0   10 11 o 337.5558 3.962223 1536.348       36.01286 1539.020      51.12448 1533.717       50.73749 337.8455 5.619884 337.2660 5.586927 0.5794983      7.924446 
1 1 1 0   10 12 o 333.9265 5.613433 1503.953       50.47343 1503.953      50.47343 0.000000       0.000000 333.9265 5.613433 ?        ?        ?              ?        
1 1 1 0   10 13 o 319.7197 3.962927 1370.028       33.95714 1293.195      45.43637 1467.239       51.10763 309.6470 5.449459 329.7923 5.755219 -20.14526      7.925853 
1 1 1 0   10 14 o 115.5366 4.288979 178.1400       13.00409 171.8296      16.49184 188.5130       21.14438 112.8833 5.425704 118.1899 6.644026 -5.306602      8.577957 
1 1 1 0   10 15 o 46.33565 10.93489 29.51868       14.72951 35.09085      16.06023 0.1271388E-01  36.95683 49.90503 12.08103 42.76627 18.23008 7.138756       21.86977 
1 1 1 0   10 16 o 222.5929 5.164448 626.3031       25.92916 594.2820      29.15945 747.2820       56.67822 209.9812 5.157219 235.2046 8.949256 -25.22346      10.32890 
1 1 1 0   10 17 f 250.0703 5.458586 834.9374       32.31198 825.5537      37.50599 861.9540       63.63982 247.4919 5.628028 252.6486 9.354674 -5.156662      10.91717 
1 1 1 0   10 18 o 607.1813 8.416775 5020.021       130.2298 5086.596      160.7118 4892.707       222.2459 613.6009 9.726991 600.7617 13.73878 12.83917       16.83355 
1 1 1 0   10 19 o 206.6788 6.251489 603.5762       29.64222 629.4147      34.37122 528.5790       58.55787 215.9775 5.910213 197.3802 11.01789 18.59731       12.50298 
1 1 1 0   10 20 o 210.4419 6.933798 645.7924       33.41656 694.5935      39.11479 513.9398       64.29397 226.7437 6.406524 194.1401 12.29905 32.60356       13.86760 
1 1 1 0   10 21 o 68.24220 16.01781 61.25300       29.41218 61.82178      32.57743 58.74530       68.40382 65.61183 17.92930 70.87256 26.54846 -5.260727      32.03561 
1 1 1 0   10 22 o 120.2638 14.33773 185.6426       36.63177 157.2599      40.29107 320.9483       87.97106 103.6079 14.44217 136.9196 24.77308 -33.31168      28.67546 
1 1 1 0   10 23 o 41.09144 14.64497 -115.8412      39.34053 -131.7294     43.06303 -35.67849      96.72841 25.86460 13.05453 56.31828 26.21984 -30.45368      29.28995 
1 1 1 0   10 24 o 43.10913 14.73672 -61.56630      32.98873 -74.89825     35.90945 10.53224       83.50747 27.04390 13.37487 59.17436 26.26397 -32.13046      29.47343 
1 1 1 0   10 25 o 268.0815 8.110674 1028.236       48.48430 1034.464      55.16668 1007.098       101.6309 273.9573 7.478434 262.2056 14.39462 11.75165       16.22135 
1 1 1 0   10 26 o 52.78951 15.10596 41.50597       32.89753 54.66846      35.89471 -27.58349      82.23702 56.97508 19.47212 48.60393 23.09970 8.371147       30.21192 
1 1 1 0   10 27 o 62.12978 16.69427 65.14771       31.64829 42.67247      35.12719 162.0525       72.93969 48.50355 18.81398 75.75600 27.58313 -27.25245      33.38854 
1 1 1 0   12 0  o 2642.113 39.67228 94786.70       2820.661 96879.41      4076.669 92864.80       3906.785 2669.803 56.70780 2614.423 55.49582 55.38062       79.34457 
1 1 1 0   12 1  o 159.5902 2.716839 342.4946       11.66307 333.8450      16.06451 352.1354       16.96005 157.4624 3.788848 161.7180 3.894803 -4.255554      5.433679 
1 1 1 0   12 2  o 1295.137 13.68948 22633.63       477.3376 22863.40      681.9382 22412.91       668.3806 1301.564 19.45790 1288.710 19.26129 12.85486       27.37896 
1 1 1 0   12 3  o 490.1651 5.307864 3235.741       70.05281 3213.657      98.49403 3258.348       99.65544 488.4732 7.488344 491.8570 7.524520 -3.383789      10.61573 
1 1 1 0   12 4  o 137.8420 4.092543 255.8429       15.19002 255.8429      15.19002 0.000000       0.000000 137.8420 4.092543 ?        ?        ?              ?        
1 1 1 0   12 5  o 453.4817 4.943847 2769.586       60.35968 2791.641      86.21734 2748.385       84.53062 455.2508 7.033322 451.7126 6.949739 3.538239       9.887694 
1 1 1 0   12 6  o 535.9269 5.785022 3870.275       83.48083 3857.716      117.6532 3883.009       118.4705 535.0522 8.166279 536.8016 8.196208 -1.749390      11.57004 
1 1 1 0   12 7  o 340.0776 3.919914 1557.598       35.88815 1535.851      50.14545 1580.433       51.38425 337.6460 5.515520 342.5092 5.571528 -4.863220      7.839827 
1 1 1 0   12 8  o 196.2968 4.447693 519.0936       23.50885 519.0936      23.50885 0.000000       0.000000 196.2968 4.447693 ?        ?        ?              ?        
1 1 1 0   12 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   12 10 o 82.96602 4.927111 97.59496       9.801559 82.29659      17.90639 104.1396       11.71195 78.03815 8.521533 87.89389 4.948653 -9.855736      9.854222 
1 1 1 0   12 11 o 148.4630 3.334577 284.0952       12.86849 347.5039      21.93930 250.8383       15.88874 160.5171 5.075958 136.4089 4.325768 24.10815       6.669154 
1 1 1 0   12 12 o 225.2606 3.283149 683.3721       19.90188 661.5976      27.56617 707.0784       28.76297 221.5184 4.621503 229.0028 4.664546 -7.484421      6.566299 
1 1 1 0   12 13 o 99.64182 4.533238 133.9653       12.11792 134.1078      16.45120 133.7963       17.91715 99.70879 6.127466 99.57484 6.682453 0.1339493      9.066477 
1 1 1 0   12 14 o 143.0606 3.807804 275.5460       14.48963 273.7347      19.03234 278.0432       22.34742 142.5154 4.959604 143.6058 5.779257 -1.090439      7.615608 
1 1 1 0   12 15 o 143.8237 4.172553 275.8961       15.90855 262.8883      20.54840 295.3578       25.13428 139.6519 5.464466 147.9955 6.307169 -8.343597      8.345105 
1 1 1 0   12 16 o 271.8002 3.984071 997.1595       29.03826 1012.968      39.49523 978.5590       42.84113 274.1629 5.349985 269.4374 5.904995 4.725464       7.968143 
1 1 1 0   12 17 o 248.8676 5.453239 849.0159       31.66149 862.9059      36.72781 808.8291       62.47207 253.0316 5.390596 244.7035 9.481177 8.328079       10.90648 
1 1 1 0   12 18 o 215.3352 5.796400 623.0505       27.83467 620.0266      31.48220 633.8793       59.57476 214.3987 5.453303 216.2718 10.23008 -1.873154      11.59280 
1 1 1 0   12 19 o 245.0459 5.850985 826.0184       33.50163 839.7155      38.90467 786.7228       65.89619 249.3927 5.793414 240.6991 10.16722 8.693634       11.70197 
1 1 1 0   12 20 o 200.6004 7.751827 478.6657       32.42222 443.4972      35.36131 664.2335       81.22741 181.0434 7.253745 220.1574 13.70206 -39.11397      15.50365 
1 1 1 0   12 21 f 165.8541 9.993258 382.1319       34.58323 383.3531      38.37431 376.8516       79.79742 167.9380 8.486100 163.7702 18.09549 4.167801       19.98652 
1 1 1 0   12 22 o 141.9745 24.23517 301.4947       87.19359 311.6427      154.2801 296.7321       105.6919 141.8884 39.11898 142.0607 28.61954 -0.1722412     48.47033 
1 1 1 0   12 23 o 307.8119 7.997545 1344.831       56.40241 1364.991      65.00074 1283.392       113.4734 315.6480 7.647718 299.9758 14.04832 15.67218       15.99509 
1 1 1 0   12 24 o 145.5295 13.96849 387.7455       35.17495 423.0105      38.98324 233.2479       81.59560 175.0948 8.268399 115.9642 26.68536 59.13058       27.93698 
1 1 1 0   12 25 o 40.37899 13.14776 -8.866982      30.50928 9.636281      33.36860 -103.1645      75.32930 40.49428 17.29353 40.26370 19.80878 0.2305832      26.29551 
1 1 1 0   12 26 o 56.69023 15.51203 63.05735       32.05003 67.04041      35.18179 43.62569       77.70781 60.04925 19.23132 53.33121 24.34438 6.718037       31.02406 
1 1 1 0   14 0  f 673.4706 10.18882 6115.495       184.7444 6173.413      263.7993 6059.748       258.8082 676.5940 14.47979 670.3471 14.33821 6.246887       20.37765 
1 1 1 0   14 1  o 510.8189 5.547112 3516.221       76.29280 3486.839      107.0847 3546.509       108.7226 508.6537 7.818469 512.9841 7.871047 -4.330383      11.09422 
1 1 1 0   14 2  f 440.9970 4.852506 2619.679       57.60781 2658.443      82.57256 2582.920       80.40999 444.1721 6.904005 437.8219 6.820703 6.350189       9.705012 
1 1 1 0   14 3  o 388.8626 4.361579 2036.936       45.66112 2009.268      63.84494 2065.906       65.32981 386.1617 6.140079 391.5636 6.196204 -5.401917      8.723159 
1 1 1 0   14 4  f 206.6987 2.986991 575.1883       16.60660 581.9330      24.11572 569.1055       22.90183 207.8484 4.308936 205.5490 4.137818 2.299393       5.973982 
1 1 1 0   14 5  o 165.2753 2.916253 368.0910       12.97314 357.7437      18.40170 378.3157       18.29238 162.9638 4.193566 167.5869 4.053655 -4.623108      5.832505 
1 1 1 0   14 6  o 143.3713 3.255021 276.3315       12.54416 300.4010      18.18538 254.4831       17.32606 149.3156 4.523075 137.4269 4.682142 11.88867       6.510043 
1 1 1 0   14 7  o 167.8524 4.466058 379.6920       20.18530 379.6920      20.18530 0.000000       0.000000 167.8524 4.466058 ?        ?        ?              ?        
1 1 1 0   14 8  o 274.4525 3.563076 1013.861       26.30888 1056.118      38.17976 975.6547       36.30383 279.8871 5.066020 269.0178 5.011734 10.86932       7.126152 
1 1 1 0   14 9  o 170.3519 3.295758 387.2957       14.83488 411.4090      23.65803 371.6707       19.04409 174.6561 5.030501 166.0476 4.259360 8.608551       6.591516 
1 1 1 0   14 10 o 384.8430 6.406159 1999.110       66.38419 1999.110      66.38419 0.000000       0.000000 384.8430 6.406159 ?        ?        ?              ?        
1 1 1 0   14 11 o 189.7879 3.493227 480.2529       17.46687 510.6604      28.10967 461.1274       22.29318 194.6057 5.364347 184.9700 4.475973 9.635727       6.986454 
1 1 1 0   14 12 o 261.6078 3.717723 918.4520       25.92001 950.6218      39.89979 894.9630       34.09394 265.5325 5.580455 257.6830 4.913693 7.849426       7.435446 
1 1 1 0   14 13 o 311.7102 4.011976 1307.195       33.59686 1348.364      49.50518 1272.045       45.74370 316.2398 5.813674 307.1805 5.530370 9.059296       8.023952 
1 1 1 0   14 14 o 169.4037 3.661681 386.6292       16.69892 398.3971      23.82169 375.2595       23.41522 171.9384 5.145366 166.8689 5.211222 5.069565       7.323362 
1 1 1 0   14 15 o 112.7292 5.032589 171.4143       15.25330 171.7949      21.01830 170.9907       22.17063 112.8670 6.915879 112.5914 7.312896 0.2755585      10.06518 
1 1 1 0   14 16 o 389.0485 4.727054 2041.458       49.50450 2041.915      69.16434 2040.978       70.88733 389.1018 6.601394 388.9951 6.767700 0.1066284      9.454108 
1 1 1 0   14 17 o 145.1667 6.063452 284.4005       23.70120 284.4005      23.70120 0.000000       0.000000 145.1667 6.063452 ?        ?        ?              ?        
1 1 1 0   14 18 o 217.3636 4.430953 643.8325       25.60489 680.2100      34.21527 597.5296       38.60183 224.4696 5.660816 210.2575 6.818251 14.21208       8.861906 
1 1 1 0   14 19 o 55.74650 14.00954 -21.91888      24.63761 -46.41425     26.85311 108.4222       61.94314 25.41092 12.35557 86.08207 25.14773 -60.67115      28.01908 
1 1 1 0   14 20 o 53.22251 15.59953 16.18714       28.44932 13.84655      31.10565 28.16192       70.35751 43.44070 17.43469 63.00432 25.87302 -19.56361      31.19907 
1 1 1 0   14 21 f 173.1715 20.19448 377.9082       86.23729 597.7270      161.9241 290.8718       101.8895 205.0260 29.33047 141.3169 27.76674 63.70905       40.38897 
1 1 1 0   14 22 o 44.34832 14.47927 -12.95350      29.98415 -11.56746     32.70486 -20.25963      75.08744 35.86323 16.13856 52.83341 24.04463 -16.97018      28.95854 
1 1 1 0   14 23 f 122.7667 14.97586 286.7888       30.95848 308.4662      33.56039 163.0271       80.18951 149.7049 8.325446 95.82850 28.77139 53.87641       29.95173 
1 1 1 0   14 24 o 172.8427 9.873817 456.7155       34.57911 467.2310      38.43032 411.9979       79.25007 183.5477 7.775740 162.1377 18.15233 21.40997       19.74763 
1 1 1 0   14 25 f 58.67524 13.73780 69.93072       30.91804 91.62556      33.83528 -39.85514      76.11404 73.31900 17.39971 44.03148 21.26403 29.28752       27.47560 
1 1 1 0   16 0  o 456.8839 7.176046 2816.864       88.26827 2845.488      126.1912 2789.442       123.5123 459.1495 10.20685 454.6182 10.08974 4.531311       14.35209 
1 1 1 0   16 1  f 127.7497 3.650286 219.9672       12.55423 226.0159      17.87604 214.0804       17.63515 129.4835 5.127122 126.0160 5.197208 3.467491       7.300572 
1 1 1 0   16 2  o 467.7664 5.177542 2953.486       65.21053 2965.092      92.71851 2942.125       91.73264 468.6716 7.347075 466.8613 7.297140 1.810303       10.35508 
1 1 1 0   16 3  o 102.4184 4.305538 141.7610       11.82194 158.2310      16.81807 125.6744       16.62115 108.3200 5.766127 96.51688 6.395500 11.80310       8.611076 
1 1 1 0   16 4  o 337.4436 4.009651 1534.468       36.40887 1566.634      52.64136 1504.971       50.41087 340.8244 5.736051 334.0628 5.604188 6.761627       8.019301 
1 1 1 0   16 5  o 299.4050 3.692225 1208.906       29.76517 1194.182      42.07721 1223.654       42.11143 297.5773 5.251262 301.2326 5.191760 -3.655304      7.384451 
1 1 1 0   16 6  o 54.05731 8.234202 40.82759       11.61067 46.84223      17.28282 35.88021       15.67465 57.72444 11.52276 50.39018 11.76582 7.334255       16.46840 
1 1 1 0   16 7  o 360.7799 4.249063 1756.045       41.27363 1742.729      57.86843 1769.832       58.88428 359.3919 5.979846 362.1680 6.038178 -2.776123      8.498127 
1 1 1 0   16 8  o 178.7496 3.622064 431.7942       17.39738 451.2391      24.22024 411.0674       25.00578 182.9277 4.917176 174.5715 5.319658 8.356140       7.244127 
1 1 1 0   16 9  f 283.9515 3.808702 1087.075       29.10921 1084.854      40.57614 1089.431       41.78368 283.6584 5.312412 284.2447 5.459224 -0.5863342     7.617404 
1 1 1 0   16 10 o 216.3224 3.521499 631.6713       20.47287 612.0691      29.60124 649.6456       28.34558 213.0917 5.158933 219.5531 4.794709 -6.461395      7.042998 
1 1 1 0   16 11 o 528.5533 8.394520 3772.433       119.4725 3772.433      119.4725 0.000000       0.000000 528.5533 8.394520 ?        ?        ?              ?        
1 1 1 0   16 12 o 536.6940 5.978429 3881.945       86.25838 3997.217      126.2835 3781.125       118.1026 544.1223 8.619197 529.2657 8.287091 14.85651       11.95686 
1 1 1 0   16 13 o 360.1801 4.448812 1749.821       43.10247 1728.329      62.16511 1769.720       59.81499 358.0368 6.448157 362.3234 6.130984 -4.286591      8.897623 
1 1 1 0   16 14 o 323.6982 4.291855 1383.614       36.73856 1562.698      58.98079 1270.081       46.96169 340.4348 6.434179 306.9616 5.681674 33.47327       8.583710 
1 1 1 0   16 15 o 144.1885 4.996739 280.7067       19.08104 281.1376      29.81657 280.4079       24.83157 144.2422 7.676833 144.1348 6.398113 0.1073151      9.993478 
1 1 1 0   16 16 o 156.3597 4.917920 332.1380       20.55389 313.2112      30.44943 347.9807       27.85826 152.2052 7.429616 160.5143 6.445505 -8.309128      9.835839 
1 1 1 0   16 17 o 407.5471 4.990919 2243.391       54.72213 2196.774      75.53603 2294.881       79.38492 403.1194 6.958843 411.9747 7.156227 -8.855225      9.981837 
1 1 1 0   16 18 f 203.0444 6.891738 557.8404       37.67932 557.8404      37.67932 0.000000       0.000000 203.0444 6.891738 ?        ?        ?              ?        
1 1 1 0   16 19 o 149.1146 7.195974 307.7638       28.62424 288.9792      37.57000 333.7553       44.19332 144.0060 9.688959 154.2233 10.64200 -10.21724      14.39195 
1 1 1 0   16 20 o 94.59487 11.79758 132.8936       35.13451 288.0754      49.76982 -21.26810      49.60598 145.0806 12.74012 44.10915 19.86004 100.9715       23.59517 
1 1 1 0   16 21 o 45.41714 14.48516 -1.399364      27.37108 -1.275032     29.61847 -2.126632      71.63375 36.66509 15.97731 54.16919 24.16619 -17.50410      28.97031 
1 1 1 0   16 22 o 98.42132 14.52604 142.5438       27.73531 138.8984      30.02004 163.7951       72.48209 99.51921 11.20266 97.32343 26.80529 2.195786       29.05207 
1 1 1 0   16 23 o 95.62758 14.65422 161.9519       29.79627 168.5370      32.99615 132.8553       69.35928 108.4931 11.29478 82.76207 27.04465 25.73101       29.30844 
1 1 1 0   16 24 o 103.9944 14.26884 170.3817       25.93754 163.3824      27.66659 221.1872       74.53870 106.4969 9.647955 101.4918 26.85733 5.005066       28.53768 
1 1 1 0   16 25 o 58.30075 16.58968 70.79773       34.82011 58.42840      39.25108 116.4916       75.44102 53.71500 20.11270 62.88650 26.38842 -9.171494      33.17936 
1 1 1 0   18 0  o 72.71693 9.511683 73.05621       18.19584 77.61652      25.35938 68.21703       26.12321 75.74384 12.43392 69.69003 14.39743 6.053818       19.02337 
1 1 1 0   18 1  o 227.8515 3.487882 698.3364       21.35222 675.7233      29.07208 724.8212       31.46258 223.8642 4.822898 231.8387 5.039935 -7.974487      6.975764 
1 1 1 0   18 2  o 121.8714 4.250478 198.4316       13.75183 189.0909      17.82626 212.1610       21.61199 118.3851 5.592162 125.3578 6.402655 -6.972687      8.500957 
1 1 1 0   18 3  o 232.7174 3.487893 729.6939       21.83752 773.6730      31.35209 688.2523       30.43419 239.5276 4.861022 225.9072 5.003204 13.62036       6.975786 
1 1 1 0   18 4  o 250.3597 3.557814 844.7094       23.97336 832.0806      33.30602 858.2869       34.53424 248.4227 4.979067 252.2967 5.083409 -3.873932      7.115628 
1 1 1 0   18 5  f 309.3626 3.890648 1290.197       32.39038 1299.482      46.69046 1281.582       44.97171 310.4280 5.585779 308.2972 5.417345 2.130829       7.781295 
1 1 1 0   18 6  o 382.6571 4.465753 1975.345       46.01116 1975.220      65.41753 1975.468       64.72717 382.6410 6.349205 382.6732 6.281671 -0.3216553E-01 8.931505 
1 1 1 0   18 7  o 645.3975 7.011899 5631.805       121.8507 5595.634      171.3667 5668.793       173.2953 643.3082 9.892909 647.4868 9.939681 -4.178589      14.02380 
1 1 1 0   18 8  o 475.2855 5.359705 3048.443       68.58867 3068.829      97.65115 3028.593       96.35980 476.8499 7.605229 473.7212 7.554221 3.128693       10.71941 
1 1 1 0   18 9  o 337.2334 5.912325 1533.351       53.68739 1533.351      53.68739 0.000000       0.000000 337.2334 5.912325 ?        ?        ?              ?        
1 1 1 0   18 10 o 251.3604 3.947196 852.4591       26.68749 887.8604      37.48030 816.0523       38.00887 256.6671 5.423124 246.0538 5.736824 10.61330       7.894392 
1 1 1 0   18 11 o 60.87592 8.987758 55.91138       15.28813 16.54353      22.65515 88.82865       20.71610 40.65079 15.26855 81.10105 9.486325 -40.45026      17.97552 
1 1 1 0   18 12 o 338.2036 4.324270 1542.536       39.36684 1516.519      56.08227 1567.806       55.27280 335.3843 6.210112 341.0228 6.019281 -5.638489      8.648540 
1 1 1 0   18 13 o 216.0359 4.037501 634.5427       23.12008 599.0800      35.43485 660.8309       30.50879 210.6972 6.245807 221.3746 5.118158 -10.67747      8.075002 
1 1 1 0   18 14 o 64.66745 9.844444 58.61089       15.74623 56.74570      28.60587 59.42173       18.86081 63.16394 16.60122 66.17095 10.58545 -3.007011      19.68889 
1 1 1 0   18 15 o 294.9789 5.767153 1174.784       45.80742 0.000000      0.000000 1174.784       45.80742 ?        ?        294.9789 5.767153 ?              ?        
1 1 1 0   18 16 o 252.3963 6.018301 860.4689       40.90158 0.000000      0.000000 860.4689       40.90158 ?        ?        252.3963 6.018301 ?              ?        
1 1 1 0   18 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 18 o 38.97235 12.95477 -50.82650      34.67566 -41.30988     50.72388 -59.17578      47.51120 41.24357 19.12875 36.70113 17.47556 4.542439       25.90955 
1 1 1 0   18 19 o 33.96511 11.29839 -45.61117      27.81417 -87.31305     38.80334 -1.542031      39.88949 27.01747 13.45301 40.91275 18.15573 -13.89528      22.59677 
1 1 1 0   18 20 o 87.01329 10.48974 103.7237       23.12612 66.79882      29.30995 164.6264       37.64212 66.35193 16.47964 107.6747 12.98306 -41.32273      20.97947 
1 1 1 0   18 21 o 58.17704 12.03941 52.91965       23.21959 81.84382      30.16767 10.87918       36.37015 73.29202 15.75499 43.06207 18.20907 30.22994       24.07883 
1 1 1 0   18 22 o 97.52302 13.92566 193.8145       32.55031 232.4583      37.87333 84.59173       63.67225 127.2963 11.04929 67.74976 25.56578 59.54652       27.85132 
1 1 1 0   18 23 o 70.36780 18.82759 119.0276       49.29834 108.5559      72.66149 127.9592       67.10616 67.08378 26.74185 73.65181 26.51012 -6.568031      37.65518 
1 1 1 0   20 0  f 525.3764 8.272652 3726.902       117.0289 3748.350      165.5008 3705.452       165.5070 526.8926 11.66526 523.8602 11.73323 3.032471       16.54530 
1 1 1 0   20 1  o 334.0842 4.192368 1504.941       37.71039 1530.057      53.39593 1479.948       53.26539 336.8687 5.886594 331.2996 5.970914 5.569122       8.384736 
1 1 1 0   20 2  o 524.9220 5.851851 3720.343       82.71069 3708.569      116.5113 3732.304       117.4353 524.0884 8.256198 525.7557 8.295288 -1.667297      11.70370 
1 1 1 0   20 3  o 272.2248 3.839823 998.6767       28.12032 992.4973      38.88427 1005.452       40.71514 271.3489 5.321848 273.1006 5.536686 -1.751709      7.679646 
1 1 1 0   20 4  o 257.6954 3.782396 894.9494       26.24018 921.1211      37.38667 869.5405       36.83785 261.4099 5.311429 253.9810 5.386538 7.428894       7.564791 
1 1 1 0   20 5  o 359.0511 4.383462 1738.032       42.37567 1711.096      59.46218 1765.829       60.40545 356.2249 6.199165 361.8774 6.199139 -5.652527      8.766925 
1 1 1 0   20 6  o 376.8534 4.535438 1914.231       46.00130 1935.734      66.23013 1894.188       63.94154 378.8906 6.491699 374.8162 6.335507 4.074432       9.070876 
1 1 1 0   20 7  o 313.3221 5.845809 1323.256       49.31955 1323.256      49.31955 0.000000       0.000000 313.3221 5.845809 ?        ?        ?              ?        
1 1 1 0   20 8  o 464.1948 5.332199 2906.347       66.64342 2943.072      94.95126 2870.691       93.56022 467.0834 7.549582 461.3062 7.532144 5.777252       10.66440 
1 1 1 0   20 9  o 568.3384 6.314369 4361.363       96.63094 4387.823      136.8163 4335.026       136.4978 570.0614 8.913181 566.6153 8.946520 3.446106       12.62874 
1 1 1 0   20 10 o 154.2632 4.853946 320.1085       20.00176 313.8106      26.53946 328.3892       30.43190 152.5303 6.461787 155.9961 7.244893 -3.465790      9.707892 
1 1 1 0   20 11 o 137.9362 5.209643 258.0629       19.26469 272.1655      26.52570 242.3212       28.02485 141.9666 6.939005 133.9058 7.772497 8.060837       10.41929 
1 1 1 0   20 12 o 163.9390 5.763016 362.7618       25.43990 0.000000      0.000000 362.7618       25.43990 ?        ?        163.9390 5.763016 ?              ?        
1 1 1 0   20 13 o 487.8232 5.640582 3220.708       74.05660 3238.944      106.5164 3203.646       103.0341 489.1229 8.087517 486.5236 7.864906 2.599274       11.28116 
1 1 1 0   20 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   20 15 o 191.3038 6.483620 494.8637       33.39831 0.000000      0.000000 494.8637       33.39831 ?        ?        191.3038 6.483620 ?              ?        
1 1 1 0   20 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   20 17 o 161.9145 7.538177 357.6230       32.79308 391.5013      47.20419 326.0211       45.59073 169.3838 10.34964 154.4453 10.96272 14.93845       15.07635 
1 1 1 0   20 18 o 50.82481 12.81165 25.39783       25.13682 -9.614882     35.28340 61.48433       35.82035 37.84375 16.91603 63.80585 19.24582 -25.96210      25.62330 
1 1 1 0   20 19 o 100.9234 8.769392 144.9884       23.42783 116.6352      33.33612 172.6575       32.93150 90.58854 13.66654 111.2583 10.99248 -20.66974      17.53878 
1 1 1 0   20 20 o 60.72926 11.71389 49.11098       24.15634 107.8829      35.75071 -0.2640179     32.76826 83.54872 16.47685 37.90979 16.65455 45.63893       23.42777 
1 1 1 0   20 21 o 58.28333 14.02169 57.84139       26.28555 57.63279      38.71819 58.01974       35.79987 58.11877 20.20611 58.44788 19.44593 -0.3291054     28.04338 
1 1 1 0   20 22 o 61.04459 14.79761 75.92653       29.30095 73.96524      40.67550 78.04205       42.24465 60.45653 20.72800 61.63264 21.12408 -1.176105      29.59521 
1 1 1 0   22 0  o 158.7843 6.575608 345.7803       27.56688 378.9097      36.74028 303.1029       41.69991 167.6642 8.138020 149.9044 10.33088 17.75983       13.15122 
1 1 1 0   22 1  o 446.9458 5.190113 2694.563       62.46084 2706.556      88.21932 2682.508       88.44704 447.9460 7.313996 445.9456 7.365768 2.000366       10.38023 
1 1 1 0   22 2  o 435.8145 5.116835 2561.854       60.04299 2598.914      85.10722 2525.129       84.72132 438.9564 7.200483 432.6725 7.271935 6.283813       10.23367 
1 1 1 0   22 3  o 405.1736 4.855795 2213.578       52.95269 2201.327      73.69240 2226.656       76.14043 404.0241 6.773795 406.3232 6.959217 -2.299103      9.711591 
1 1 1 0   22 4  o 237.3254 4.021502 760.1193       25.66649 795.1642      36.03984 724.0525       36.56159 242.8914 5.510454 231.7594 5.858740 11.13191       8.043005 
1 1 1 0   22 5  o 137.7073 5.011961 255.5713       18.55662 236.6335      25.85881 275.6780       26.64489 132.4463 7.250792 142.9684 6.921345 -10.52214      10.02392 
1 1 1 0   22 6  o 535.6283 6.022135 3875.705       86.84993 3892.496      123.6345 3859.346       122.0299 536.7655 8.554047 534.4911 8.478958 2.274414       12.04427 
1 1 1 0   22 7  o 202.3932 6.049787 552.7645       32.97003 552.7645      32.97003 0.000000       0.000000 202.3932 6.049787 ?        ?        ?              ?        
1 1 1 0   22 8  o 126.7372 5.704660 217.2435       19.45758 225.5842      27.53984 208.9302       27.49458 129.1768 7.917599 124.2975 8.214877 4.879257       11.40932 
1 1 1 0   22 9  o 169.9212 4.806180 388.0874       21.86611 372.1094      29.16862 408.5861       33.03836 165.9732 6.526714 173.8692 7.056872 -7.896057      9.612359 
1 1 1 0   22 10 o 105.0280 7.340821 151.5701       20.40046 160.6976      26.98749 139.4005       31.16189 108.8610 9.206762 101.1951 11.43618 7.665840       14.68164 
1 1 1 0   22 11 o 177.5960 7.128727 426.4129       34.09012 426.4129      34.09012 0.000000       0.000000 177.5960 7.128727 ?        ?        ?              ?        
1 1 1 0   22 12 o 205.1264 5.117485 570.7305       28.20926 543.1491      40.50544 596.7070       39.30927 200.2612 7.511612 209.9916 6.952000 -9.730377      10.23497 
1 1 1 0   22 13 o 28.93137 9.807962 -41.19525      21.56890 -62.31236     36.00463 -29.37495      26.93739 29.31079 14.26455 28.55196 13.46504 0.7588291      19.61592 
1 1 1 0   22 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   22 15 o ?        ?        -139.4829      37.03474 0.000000      0.000000 -139.4829      37.03474 ?        ?        ?        ?        ?              ?        
1 1 1 0   22 16 o 177.0446 7.282907 427.5961       34.71930 0.000000      0.000000 427.5961       34.71930 ?        ?        177.0446 7.282907 ?              ?        
1 1 1 0   22 17 o 131.8421 6.728755 241.5343       23.68842 230.1752      35.34266 250.7994       31.91928 128.7561 10.19408 134.9280 8.785521 -6.171860      13.45751 
1 1 1 0   22 18 o 174.9857 7.686389 422.5813       36.21666 0.000000      0.000000 422.5813       36.21666 ?        ?        174.9857 7.686389 ?              ?        
1 1 1 0   22 19 o 95.50227 10.93788 129.3625       26.48203 192.1831      44.97118 96.01474       32.76546 112.9232 14.78999 78.08137 16.11846 34.84180       21.87575 
1 1 1 0   22 20 o 36.73458 12.04996 -11.46322      27.73751 -12.41473     45.02377 -10.88119      35.21347 38.58119 17.93751 34.88797 16.09510 3.693218       24.09993 
1 1 1 0   22 21 o 89.94633 12.57732 144.7486       29.77655 183.8730      43.80976 111.1561       40.59459 104.4579 15.57565 75.43477 19.75233 29.02312       25.15463 
1 1 1 0   24 0  o 492.2291 8.043658 3273.862       106.5331 3364.371      154.3052 3191.425       147.2626 498.6994 11.49101 485.7587 11.25870 12.94067       16.08732 
1 1 1 0   24 1  o 330.9903 4.498239 1477.353       39.99990 1451.172      54.55248 1507.796       58.82573 327.8506 6.179526 334.1300 6.538354 -6.279388      8.996478 
1 1 1 0   24 2  f 460.1082 5.425029 2862.824       67.20710 2908.094      95.24120 2817.925       94.85038 463.7430 7.627182 456.4733 7.716854 7.269623       10.85006 
1 1 1 0   24 3  f 270.3339 4.265624 986.2043       30.99526 978.5699      42.50910 994.8705       45.29086 269.2386 5.863559 271.4293 6.196844 -2.190704      8.531248 
1 1 1 0   24 4  o 118.0380 6.479225 193.8205       20.04292 229.8969      27.32196 151.7850       29.49223 130.3552 7.783955 105.7208 10.36009 24.63432       12.95845 
1 1 1 0   24 5  o 157.2798 5.125938 333.7899       21.68335 319.2269      29.80672 350.1596       31.60173 153.6481 7.204495 160.9115 7.293572 -7.263382      10.25188 
1 1 1 0   24 6  o 98.01044 7.687284 130.9361       20.15088 150.1514      28.77312 112.4394       28.22992 105.1460 10.16274 90.87482 11.53673 14.27123       15.37457 
1 1 1 0   24 7  o 203.8063 4.675268 561.1906       25.65461 572.3076      36.44888 550.2760       36.11562 205.8103 6.577089 201.8024 6.646384 4.007889       9.350535 
1 1 1 0   24 8  o 158.2849 8.103374 339.4892       34.53732 339.4892      34.53732 0.000000       0.000000 158.2849 8.103374 ?        ?        ?              ?        
1 1 1 0   24 9  o 83.42989 15.16274 98.75516       32.80827 98.75516      32.80827 0.000000       0.000000 83.42989 15.16274 ?        ?        ?              ?        
1 1 1 0   24 10 o 57.84789 18.66406 45.94142       33.09030 45.94142      33.09030 0.000000       0.000000 57.84789 18.66406 ?        ?        ?              ?        
1 1 1 0   24 11 o 36.64566 17.17701 -38.25753      42.68235 0.000000      0.000000 -38.25753      42.68235 ?        ?        36.64566 17.17701 ?              ?        
1 1 1 0   24 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   24 13 o 189.9162 8.755594 495.6264       44.77452 495.6264      44.77452 0.000000       0.000000 189.9162 8.755594 ?        ?        ?              ?        
1 1 1 0   24 14 o 45.47955 13.10169 17.26055       23.46856 22.62979      43.15214 15.00542       27.96612 49.78594 20.33244 41.17316 16.52904 8.612778       26.20338 
1 1 1 0   24 15 o 206.3169 6.711022 580.8514       37.28267 0.000000      0.000000 580.8514       37.28267 ?        ?        206.3169 6.711022 ?              ?        
1 1 1 0   24 16 o 61.63001 13.99858 60.11829       25.52764 61.37698      44.05909 59.48223       31.32047 61.89872 21.55280 61.36130 17.86945 0.5374260      27.99715 
1 1 1 0   24 17 o 48.48422 13.69067 28.93609       25.16660 35.30310      46.46910 26.29354       29.93703 51.97682 21.14870 44.99162 17.39169 6.985195       27.38135 
1 1 1 0   24 18 o 78.66910 13.25473 103.9398       26.26150 120.4803      46.66866 96.27502       31.76874 80.53723 21.22213 76.80096 15.88626 3.736275       26.50947 
1 1 1 0   24 19 o 36.68332 12.09442 -12.85210      27.76538 20.00302      46.48203 -31.07851      34.62056 43.38654 19.40313 29.98011 14.44363 13.40643       24.18884 
1 1 1 0   26 0  o 144.3530 9.186493 279.7233       35.36400 260.5583      46.31918 306.5074       54.75784 138.5504 12.41566 150.1557 13.54320 -11.60526      18.37299 
1 1 1 0   26 1  o 235.4292 5.011716 740.9164       31.34587 697.0804      40.63719 805.3163       49.25500 227.0126 6.647990 243.8458 7.501562 -16.83318      10.02343 
1 1 1 0   26 2  o 92.60291 11.80646 117.1483       29.43933 117.1483      29.43933 0.000000       0.000000 92.60291 11.80646 ?        ?        ?              ?        
1 1 1 0   26 3  o 360.8088 4.885747 1752.160       47.21532 1677.736      63.07161 1847.035       71.21213 352.2039 6.650532 369.4137 7.159086 -17.20981      9.771494 
1 1 1 0   26 4  o 216.2094 5.151020 623.1474       29.51668 582.3021      38.00252 685.2565       46.86178 207.4875 6.802005 224.9312 7.737231 -17.44370      10.30204 
1 1 1 0   26 5  o 228.7810 5.116020 709.1100       31.21313 704.7028      41.31793 714.9686       47.63763 228.0659 6.728136 229.4962 7.708881 -1.430222      10.23204 
1 1 1 0   26 6  o 50.54248 18.69002 36.54594       33.68687 36.54594      33.68687 0.000000       0.000000 50.54248 18.69002 ?        ?        ?              ?        
1 1 1 0   26 7  o 125.4230 12.98483 214.3777       43.85275 214.3777      43.85275 0.000000       0.000000 125.4230 12.98483 ?        ?        ?              ?        
1 1 1 0   26 8  o 248.1986 8.438517 833.1198       56.39608 833.1198      56.39608 0.000000       0.000000 248.1986 8.438517 ?        ?        ?              ?        
1 1 1 0   26 9  o 33.87515 11.36782 -50.93891      30.08521 -8.846396     38.96141 -113.1033      47.34814 38.77540 17.51633 28.97491 14.49440 9.800491       22.73564 
1 1 1 0   26 10 o 150.5591 6.985120 314.9210       27.63939 398.3836      39.51707 234.9873       38.67262 170.6791 8.598468 130.4392 11.01063 40.23990       13.97024 
1 1 1 0   26 11 o 49.03805 18.37773 30.32440       32.78548 0.000000      0.000000 30.32440       32.78548 ?        ?        49.03805 18.37773 ?              ?        
1 1 1 0   26 12 o 49.52791 13.24847 27.49986       24.13752 42.41404      37.67306 17.11390       31.43797 55.37470 19.87026 43.68112 17.52885 11.69358       26.49694 
1 1 1 0   26 13 o 89.39780 11.39503 121.0975       26.69574 110.2369      38.43612 131.2193       37.10597 84.13533 17.53456 94.66026 14.55770 -10.52493      22.79007 
1 1 1 0   26 14 o 52.57278 12.35730 31.88643       25.26546 -16.89718     36.08101 78.82071       35.39050 35.48391 16.34206 69.66166 18.54045 -34.17775      24.71460 
1 1 1 0   26 15 o 58.97017 13.06804 58.63972       26.28834 18.87976      40.24355 88.23391       34.71974 45.04091 19.10595 72.89942 17.83417 -27.85851      26.13609 
1 1 1 0   26 16 o 40.81262 12.58337 4.156925       26.34423 38.01840      41.57830 -18.55466      34.05159 49.03825 19.98478 32.58699 15.29620 16.45126       25.16675 
1 1 1 0   26 17 o 39.97837 12.60154 12.88004       27.35532 10.05468      41.95008 14.97027       36.08216 40.16702 18.15754 39.78971 17.47852 0.3773079      25.20308 
1 1 1 0   28 0  o 120.6922 11.73729 205.9886       37.40029 193.6737      47.83178 225.3630       59.99527 116.7209 15.21895 124.6635 17.87288 -7.942581      23.47458 
1 1 1 0   28 1  o 80.86538 12.64242 108.3572       27.06732 129.6453      34.78964 75.70657       43.08508 94.26444 13.70625 67.46632 21.24763 26.79813       25.28484 
1 1 1 0   28 2  o 112.4116 8.858427 173.6489       25.72339 162.0202      31.72426 195.9694       43.95177 107.6951 10.93987 117.1282 13.93578 -9.433151      17.71685 
1 1 1 0   28 3  o 73.19113 12.65398 83.96677       24.68973 97.25640      31.15354 61.52350       40.48497 81.91931 14.66168 64.46296 20.62832 17.45635       25.30795 
1 1 1 0   28 4  o 37.58880 11.61583 -10.90920      24.19580 14.22478      30.64058 -52.54475      39.43652 42.80544 17.26004 32.37215 15.54997 10.43329       23.23167 
1 1 1 0   28 5  o 83.76452 11.86835 113.8768       24.93497 138.7956      31.34352 70.91904       41.15337 99.65660 11.68042 67.87244 20.66394 31.78416       23.73669 
1 1 1 0   28 6  o 136.6381 7.817088 264.0198       28.03354 274.7188      36.32976 248.2735       44.07387 140.7460 9.586125 132.5302 12.35045 8.215744       15.63418 
1 1 1 0   28 7  o 64.38814 14.13829 63.90652       26.92606 65.34682      35.25248 61.88953       41.71700 65.13768 18.95475 63.63859 20.98290 1.499092       28.27657 
1 1 1 0   28 8  o 59.52372 14.49437 51.03630       27.69615 45.83980      35.70994 58.88108       43.87568 56.36548 19.41610 62.68195 21.52584 -6.316471      28.98873 
1 1 1 0   28 9  o 115.1913 9.399401 190.4958       28.19392 188.3440      35.60951 194.1108       46.15585 115.2909 11.47064 115.0916 14.89360 0.1993179      18.79880 
1 1 1 0   28 10 o 121.4465 9.138437 217.9390       28.57488 232.5746      36.42974 194.5346       46.06799 128.2745 10.54708 114.6186 14.92659 13.65588       18.27687 
1 1 1 0   28 11 o 123.7995 8.807183 217.3439       28.41603 201.2586      35.45850 246.2177       47.50698 118.5081 11.11192 129.0909 13.66716 -10.58283      17.61437 
1 1 1 0   28 12 o 47.52690 13.79076 24.63559       27.59768 12.02118      34.85186 45.84335       45.18974 41.14998 17.62617 53.90383 21.21459 -12.75385      27.58153 
1 1 1 0   28 13 o 44.85483 13.28265 25.55044       26.91773 29.44989      35.27491 20.11441       41.64903 45.51189 18.46032 44.19776 19.10320 1.314129       26.56531 
1 1 1 0   28 14 o 44.19773 13.22149 28.07744       27.31688 38.05128      39.08347 18.55159       38.19564 47.02977 19.29489 41.36570 18.08144 5.664078       26.44298 
1 1 1 0   30 0  o 44.47625 13.98305 -10.67470      33.94820 6.888960      42.85556 -40.26278      55.62346 46.27835 19.67679 42.67416 19.87275 3.604187       27.96609 
1 1 1 0   30 1  o 117.1311 8.397919 198.4646       25.92704 212.0666      34.22826 180.1545       39.71273 122.7037 10.35962 111.5584 13.22038 11.14529       16.79584 
1 1 1 0   30 2  o 60.12488 13.11972 58.98059       24.33348 72.37782      30.88671 37.05907       39.50930 67.96371 16.93822 52.28605 20.04009 15.67767       26.23944 
1 1 1 0   30 3  o 39.24960 11.88996 -1.505803      24.79962 24.71821      31.38024 -45.13145      40.47414 45.47831 17.74284 33.02090 15.83276 12.45741       23.77992 
1 1 1 0   30 4  o 34.93685 11.24959 -18.33553      24.75942 5.896574      31.24170 -59.25665      40.59877 38.81169 16.65815 31.06201 15.12347 7.749680       22.49919 
1 1 1 0   30 5  o 81.19956 12.28639 101.9405       25.42945 92.29680      32.09386 118.2076       41.68271 76.97052 16.00684 85.42860 18.64411 -8.458084      24.57279 
1 1 1 0   30 6  o 32.60016 10.69389 -28.94592      24.38060 2.498562      31.35457 -77.03245      38.77398 37.43124 16.37146 27.76908 13.76273 9.662161       21.38778 
1 1 1 0   30 7  o 82.54198 11.71401 109.2821       24.67874 111.8326      31.20057 105.0198       40.33434 86.50021 13.39560 78.58376 19.22055 7.916443       23.42801 
1 1 1 0   30 8  o 56.74272 20.88255 56.89964       41.96677 0.000000      0.000000 56.89964       41.96677 ?        ?        56.74272 20.88255 ?              ?        
1 1 1 0   30 9  o 51.72005 14.10673 46.25825       27.20472 45.33573      33.97370 47.90696       45.41785 51.11166 18.79215 52.32843 21.04412 -1.216770      28.21347 
1 1 1 0   30 10 o 45.11303 19.53180 28.69706       43.68697 0.000000      0.000000 28.69706       43.68697 ?        ?        45.11303 19.53180 ?              ?        
1 1 1 0   30 11 o 42.36169 13.11564 21.41927       28.48127 25.91358      36.99552 14.87971       44.62637 42.94580 18.27147 41.77757 18.82108 1.168224       26.23127 
1 1 1 0   32 0  o 80.48331 14.06113 113.2847       37.91490 184.7120      50.35017 19.73564       57.62206 109.5392 17.07057 51.42744 22.34854 58.11174       28.12226 
1 1 1 0   32 1  o 50.69247 13.33619 48.17302       25.96131 63.36533      33.25197 24.45432       41.54809 57.61611 18.72073 43.76884 18.99870 13.84727       26.67239 
1 1 1 0   32 2  o 71.02652 13.00637 99.21828       25.85414 114.7308      32.90283 74.18169       41.80031 82.47542 15.38164 59.57763 20.97780 22.89779       26.01275 
1 1 1 0   32 3  o 46.29105 13.17020 36.69055       25.34389 42.14645      32.54427 28.28305       40.39940 48.24688 18.26041 44.33523 18.98352 3.911644       26.34040 
1 1 1 0   32 4  o 75.12038 11.80063 92.48087       26.54575 34.33056      34.02048 182.9948       42.44458 45.25925 18.20901 104.9815 15.01502 -59.72226      23.60125 
1 1 1 1   1  0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  1  o 486.1163 10.33381 1.756830       2.538864 1.460965      2.538894 12293.11       517.4843 13.10790 5.065367 959.1246 20.03728 -946.0167      20.66762 
1 1 1 1   1  2  o 1197.622 25.25884 19356.08       814.5479 0.000000      0.000000 19356.08       814.5479 ?        ?        1197.622 25.25884 ?              ?        
1 1 1 1   1  3  o 664.6768 7.050697 5950.124       126.1803 5910.803      177.1196 5990.644       179.8023 662.4485 9.929585 666.9050 10.01262 -4.456543      14.10139 
1 1 1 1   1  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  5  o 202.5554 3.829833 552.4407       20.88849 552.4407      20.88849 0.000000       0.000000 202.5554 3.829833 ?        ?        ?              ?        
1 1 1 1   1  6  o 438.0480 4.846259 2548.097       56.56031 2351.079      73.79882 2828.568       88.05228 417.8203 6.559587 458.2758 7.135596 -40.45547      9.692518 
1 1 1 1   1  7  o 740.5565 11.21122 7388.066       223.5602 7388.066      223.5602 0.000000       0.000000 740.5565 11.21122 ?        ?        ?              ?        
1 1 1 1   1  8  o 349.9500 4.177076 1646.365       39.29973 1603.203      53.83220 1695.619       57.50592 345.0483 5.794005 354.8516 6.018420 -9.803253      8.354153 
1 1 1 1   1  9  o 1320.096 14.00611 23483.56       497.2629 24231.36      724.9643 22819.13       683.3510 1339.864 20.09428 1300.327 19.51676 39.53687       28.01222 
1 1 1 1   1  10 f 398.8215 4.786264 2142.048       51.39888 2148.915      72.59429 2135.146       72.78407 399.4627 6.749053 398.1802 6.788491 1.282501       9.572529 
1 1 1 1   1  11 o 322.6447 4.394535 1397.156       38.10400 1480.301      56.07159 1325.814       51.93969 331.5317 6.281082 313.7577 6.147826 17.77396       8.789070 
1 1 1 1   1  12 o 280.9785 4.289768 1064.109       32.43507 1079.906      45.27872 1047.459       46.48530 283.1252 5.939260 278.8318 6.191416 4.293427       8.579536 
1 1 1 1   1  13 o 57.87029 11.51946 46.60004       19.12778 33.51618      27.42809 58.98792       26.68861 51.08377 17.02223 64.65680 15.52531 -13.57303      23.03892 
1 1 1 1   1  14 o 305.9664 4.844055 1263.686       39.89400 1276.743      55.84501 1250.078       57.01030 307.5922 6.742572 304.3405 6.956810 3.251678       9.688110 
1 1 1 1   1  15 o 194.9479 5.686481 514.2874       29.81557 527.9841      41.54571 499.7415       42.81406 197.6500 7.806313 192.2458 8.270777 5.404251       11.37296 
1 1 1 1   1  16 f 302.6097 5.337829 1233.979       43.44498 1311.503      63.09584 1164.088       59.90894 311.6311 7.519284 293.5882 7.578262 18.04291       10.67566 
1 1 1 1   1  17 o 321.2472 7.867783 1393.083       68.05736 1393.083      68.05736 0.000000       0.000000 321.2472 7.867783 ?        ?        ?              ?        
1 1 1 1   1  18 f 586.0529 7.276937 4641.910       114.8213 4735.999      163.5038 4550.361       161.2826 591.9186 10.25847 580.1871 10.32371 11.73145       14.55387 
1 1 1 1   1  19 o 386.8196 6.826897 2019.982       69.91582 2014.895      90.88783 2027.356       109.4241 386.3379 8.736854 387.3014 10.49254 -0.9634705     13.65379 
1 1 1 1   1  20 o 160.1128 9.243762 348.6344       39.66349 349.1149      53.57759 348.0518       58.99875 160.3126 12.41172 159.9129 13.70174 0.3996887      18.48752 
1 1 1 1   1  21 o 279.5750 7.251256 1063.000       54.45354 1145.299      76.87005 980.1033       77.14857 290.5511 9.825421 268.5987 10.66696 21.95242       14.50251 
1 1 1 1   1  22 o 147.7475 12.47943 303.7402       49.25415 320.7181      66.88302 283.6226       72.80492 152.5790 16.27938 142.9159 18.91893 9.663025       24.95885 
1 1 1 1   1  23 o 224.1160 11.17397 698.0081       67.42096 715.5295      95.97677 680.9385       94.73071 226.9346 15.70660 221.2974 15.89758 5.637207       22.34794 
1 1 1 1   1  24 f 55.40924 18.85450 -154.7636      83.59345 -220.6697     127.9071 -105.6251      110.4441 53.52261 26.22641 57.29586 27.09510 -3.773251      37.70900 
1 1 1 1   1  25 o 137.9013 19.72323 323.0283       70.49654 288.7114      94.77020 365.5414       105.4822 129.4201 28.00783 146.3825 27.77741 -16.96243      39.44646 
1 1 1 1   1  26 o 66.35985 18.83543 50.49608       55.01408 126.9064      82.54427 -10.57052      73.79259 81.26125 29.38033 51.45845 23.57731 29.80280       37.67086 
1 1 1 1   1  27 o 50.23248 16.52438 -3.911187      54.06633 17.07200      79.25292 -22.17800      73.94537 53.41882 24.46027 47.04613 22.22421 6.372692       33.04876 
1 1 1 1   1  28 o 53.12946 15.99205 44.22435       36.48021 114.5003      69.20187 17.17950       42.92959 64.23389 25.92540 42.02502 18.73114 22.20888       31.98409 
1 1 1 1   3  0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   3  1  o 454.9750 9.674232 2787.892       118.5189 0.000000      0.000000 2787.892       118.5189 ?        ?        454.9750 9.674232 ?              ?        
1 1 1 1   3  2  o 741.9322 7.834463 7414.253       156.5008 7352.243      219.5260 7478.340       223.1701 738.7796 11.03539 745.0848 11.12364 -6.305176      15.66893 
1 1 1 1   3  3  o 1562.670 16.48448 32948.46       693.5497 32653.12      972.1215 33254.61       989.7715 1555.555 23.20875 1569.784 23.41594 -14.22925      32.96896 
1 1 1 1   3  4  f 559.4233 7.318160 4182.947       102.6797 4126.439      123.9372 4306.623       183.3515 553.5079 8.315615 565.3387 12.04460 -11.83087      14.63632 
1 1 1 1   3  5  o 840.7983 10.92028 9570.834       234.9687 9649.050      290.8459 9423.858       398.6938 846.0182 12.76732 835.5786 17.72021 10.43964       21.84056 
1 1 1 1   3  6  o 1353.005 20.25479 24768.61       737.9210 24783.72      1044.526 24753.55       1042.632 1353.413 28.66194 1352.597 28.62724 0.8160400      40.50957 
1 1 1 1   3  7  o 459.9840 5.238392 2847.893       64.81838 2817.771      89.49596 2881.125       94.00419 457.4293 7.266012 462.5387 7.547719 -5.109406      10.47678 
1 1 1 1   3  8  o 857.9346 9.222794 9910.444       212.9174 9735.592      294.8015 10101.11       307.8429 850.0380 12.87977 865.8312 13.20421 -15.79327      18.44559 
1 1 1 1   3  9  o 739.3481 8.046345 7364.808       160.1857 7402.574      226.3196 7326.897       226.7546 741.2492 11.33899 737.4470 11.41936 3.802246       16.09269 
1 1 1 1   3  10 o 864.9762 9.371656 10060.46       217.8140 9737.389      296.7595 10437.78       320.7029 849.9788 12.96621 879.9736 13.53474 -29.99481      18.74331 
1 1 1 1   3  11 f 720.9431 7.970120 6985.842       154.4375 7347.320      226.9735 6674.210       210.7435 738.2455 11.41803 703.6406 11.12295 34.60492       15.94024 
1 1 1 1   3  12 f 607.6187 6.926154 4964.434       112.8816 4801.047      152.0641 5164.981       168.4711 596.5635 9.466442 618.6738 10.11301 -22.11035      13.85231 
1 1 1 1   3  13 f 377.2415 5.173588 1918.254       52.33385 1901.984      70.71226 1937.960       77.81972 375.5078 6.993465 378.9753 7.625975 -3.467529      10.34718 
1 1 1 1   3  14 o 86.05357 9.924219 102.3953       22.44241 98.20126      32.48864 106.2231       31.03778 83.68365 14.96753 88.42350 13.03585 -4.739845      19.84844 
1 1 1 1   3  15 o 93.88255 10.35743 119.6630       26.11815 131.6527      38.32323 109.2641       35.69043 98.26763 14.48332 89.49748 14.81008 8.770149       20.71486 
1 1 1 1   3  16 o 180.4866 6.777691 439.5822       32.82313 390.3533      45.30959 493.9456       47.61393 169.8497 9.906994 191.1235 9.252019 -21.27382      13.55538 
1 1 1 1   3  17 f 103.7388 10.33907 146.0455       28.85444 155.0812      41.46892 137.5651       40.17453 106.8594 14.41208 100.6183 14.82827 6.241096       20.67814 
1 1 1 1   3  18 o 524.9187 6.976293 3726.078       98.14297 3758.184      132.8447 3687.496       145.6242 527.5039 9.352658 522.3334 10.35386 5.170471       13.95259 
1 1 1 1   3  19 o 56.22579 14.83341 26.02178       32.03505 57.31414      46.01082 -3.419941      44.62954 66.33584 22.04422 46.11574 19.85378 20.22010       29.66681 
1 1 1 1   3  20 o 461.2712 6.689327 2874.126       82.54871 2824.933      110.2140 2936.985       124.5857 456.9184 8.958073 465.6239 9.936868 -8.705536      13.37865 
1 1 1 1   3  21 f 74.30843 16.02356 77.45948       35.40319 94.39116      50.47483 61.06335       49.67020 80.82010 22.41166 67.79677 22.90711 13.02333       32.04713 
1 1 1 1   3  22 o 316.5334 8.028606 1346.139       67.86195 1217.809      89.22631 1522.234       104.5207 298.9866 11.08301 334.0802 11.61899 -35.09363      16.05721 
1 1 1 1   3  23 o 229.9505 11.16352 761.4818       69.08072 741.9035      98.40766 780.5029       96.99739 226.7189 16.11973 233.1821 15.44833 -6.463104      22.32704 
1 1 1 1   3  24 o 109.9975 24.25178 238.1598       80.12459 285.2717      118.3435 198.2854       108.8744 119.9803 34.67625 100.0146 33.91389 19.96568       48.50355 
1 1 1 1   3  25 o 151.2732 17.45327 371.9745       68.77950 338.3895      99.94813 402.1851       94.79419 141.5862 27.20479 160.9601 21.87157 -19.37393      34.90654 
1 1 1 1   3  26 o 68.13786 19.26269 66.78619       56.65795 13.24099      78.96104 123.6135       81.34502 56.24261 25.21111 80.03311 29.13083 -23.79050      38.52538 
1 1 1 1   3  27 o 53.21602 16.14567 31.68195       38.15748 69.79339      70.15018 15.66777       45.47298 61.16467 25.54008 45.26737 19.75943 15.89730       32.29134 
1 1 1 1   3  28 o 48.41927 14.25861 42.07051       30.64120 49.17881      45.88726 36.35050       41.16306 50.33400 20.80619 46.50454 19.50215 3.829456       28.51721 
1 1 1 1   5  0  o 651.9860 6.892663 5724.272       120.9882 5662.688      169.3301 5788.504       172.9331 648.4055 9.698489 655.5665 9.796658 -7.161011      13.78533 
1 1 1 1   5  1  o 415.0046 4.431660 2318.119       49.50607 2279.665      68.94118 2359.059       71.13464 411.4534 6.222641 418.5558 6.311671 -7.102448      8.863320 
1 1 1 1   5  2  o 1094.167 11.55867 16141.14       340.5315 16055.04      478.9670 16229.15       484.2449 1091.222 16.30081 1097.113 16.39193 -5.891724      23.11735 
1 1 1 1   5  3  o 696.9214 7.389263 6537.949       138.5603 6699.320      200.7238 6391.055       191.5085 705.1219 10.57186 688.7208 10.32670 16.40118       14.77853 
1 1 1 1   5  4  f 177.1649 2.214795 416.8526       10.46055 462.6809      16.24029 384.3581       13.67514 185.3728 3.253602 168.9569 3.005886 16.41594       4.429591 
1 1 1 1   5  5  o 1058.268 11.17312 15095.22       318.3035 15307.63      456.4475 14894.15       444.1044 1065.502 15.90938 1051.034 15.69223 14.46741       22.34624 
1 1 1 1   5  6  o 2128.657 22.49832 61283.21       1289.537 61437.58      1829.109 61130.67       1818.299 2131.305 31.87209 2126.008 31.76267 5.296875       44.99664 
1 1 1 1   5  7  o 1062.965 13.78073 15228.74       371.2545 15206.66      453.8217 15273.42       645.5148 1062.128 15.86811 1063.801 22.53524 -1.673462      27.56146 
1 1 1 1   5  8  o 172.8672 3.473183 384.9266       14.34710 366.1135      16.60351 440.3770       28.50501 164.8967 3.739421 180.8376 5.853950 -15.94090      6.946366 
1 1 1 1   5  9  o 766.6183 9.508998 7877.757       169.7489 7835.806      195.6239 8005.620       341.5235 762.7022 9.525406 770.5344 16.46058 -7.832153      19.01800 
1 1 1 1   5  10 o 96.22971 5.473898 141.5657       11.78042 160.6365      13.91671 93.35490       22.12711 109.2211 4.732019 83.23829 9.872296 25.98283       10.94780 
1 1 1 1   5  11 o 381.8602 6.391317 1964.743       65.70194 1925.537      91.72859 2006.048       94.15195 377.9512 9.013336 385.7692 9.063968 -7.817963      12.78263 
1 1 1 1   5  12 o 346.2235 6.808547 1616.179       63.47379 1616.179      63.47379 0.000000       0.000000 346.2235 6.808547 ?        ?        ?              ?        
1 1 1 1   5  13 o 160.0337 6.081711 345.9557       26.16491 344.3593      35.95662 347.7525       38.14589 159.6571 8.363870 160.4103 8.831450 -0.7532654     12.16342 
1 1 1 1   5  14 o 297.3144 5.596251 1198.733       44.44801 1227.432      59.65321 1162.912       66.64416 301.4108 7.350073 293.2180 8.440885 8.192719       11.19250 
1 1 1 1   5  15 o 112.6627 8.933668 176.1859       26.34580 221.3441      37.06459 130.0697       37.45567 127.7125 10.77810 97.61280 14.25041 30.09970       17.86734 
1 1 1 1   5  16 o 87.93750 12.66444 109.3132       29.41048 82.47086      41.87323 135.4481       41.31774 76.15225 20.11932 99.72274 15.38718 -23.57049      25.32888 
1 1 1 1   5  17 o 218.0107 6.424687 639.0436       37.58215 607.3252      50.63828 677.9382       56.07492 212.0354 8.869258 223.9861 9.297456 -11.95076      12.84937 
1 1 1 1   5  18 o 181.3491 7.490313 444.1243       36.56045 461.6899      52.50766 427.5941       50.93669 184.8297 10.55037 177.8685 10.63527 6.961182       14.98063 
1 1 1 1   5  19 o 278.6688 6.631077 1052.159       49.59930 1116.781      68.99451 983.0436       71.35293 287.5952 8.909422 269.7424 9.823794 17.85281       13.26215 
1 1 1 1   5  20 o 54.90883 15.67680 18.32846       36.50132 -2.948761     55.02107 35.05360       48.78164 51.04758 22.01044 58.77007 22.32911 -7.722492      31.35361 
1 1 1 1   5  21 o 49.50009 15.46596 -14.26233      40.62093 -28.81980     61.04914 -2.696878      54.41489 48.43510 21.89890 50.56508 21.84541 -2.129982      30.93192 
1 1 1 1   5  22 o 291.7668 9.163803 1167.147       71.94108 1119.073      101.9095 1214.902       101.5714 285.6593 13.24900 297.8743 12.66354 -12.21500      18.32761 
1 1 1 1   5  23 o 122.4339 23.07746 248.7458       77.10043 247.7998      117.0902 249.4700       102.4445 121.0550 34.33652 123.8129 30.84282 -2.757889      46.15491 
1 1 1 1   5  24 o 101.0379 23.79649 184.2933       74.66246 193.7100      120.3457 178.4009       95.19804 101.6730 35.60826 100.4028 31.57757 1.270126       47.59297 
1 1 1 1   5  25 o 178.7064 14.31919 476.2300       67.97225 521.5491      106.7524 445.3286       88.15102 184.5423 21.48317 172.8705 18.93752 11.67181       28.63837 
1 1 1 1   5  26 o 49.01929 16.04954 -27.32412      51.51945 18.66242      73.00256 -72.95197      72.71730 55.23080 24.53304 42.80778 20.69978 12.42302       32.09908 
1 1 1 1   5  27 o 41.29858 14.12413 -47.31633      47.89851 -39.48258     64.80411 -56.74932      71.11191 41.32778 19.87285 41.26939 20.07571 0.5838394E-01  28.24827 
1 1 1 1   7  0  o 1110.582 11.72771 16641.18       350.6946 16546.96      493.2458 16737.49       498.7134 1107.410 16.54138 1113.754 16.62947 -6.344360      23.45542 
1 1 1 1   7  1  o 155.0354 2.117509 323.2088       8.834012 310.6302      12.23875 336.8904       12.76416 151.8904 2.992428 158.1804 2.996789 -6.290039      4.235017 
1 1 1 1   7  2  o 528.1733 5.624285 3757.264       79.98500 3733.040      112.4830 3782.041       113.7595 526.4519 7.934963 529.8947 7.972872 -3.442810      11.24857 
1 1 1 1   7  3  o 702.5809 7.445982 6649.356       140.8542 6695.867      200.6665 6604.182       197.7610 705.0010 10.57065 700.1609 10.48961 4.840027       14.89196 
1 1 1 1   7  4  o 1567.704 16.56910 33042.81       697.3380 34788.27      1035.749 31595.61       943.1164 1605.334 23.96104 1530.074 22.89124 75.26025       33.13820 
1 1 1 1   7  5  o 654.2003 9.813958 5764.864       172.8775 0.000000      0.000000 5764.864       172.8775 ?        ?        654.2003 9.813958 ?              ?        
1 1 1 1   7  6  o 1739.552 18.36998 40853.57       860.2144 40258.45      1199.386 41483.97       1234.424 1726.550 25.79862 1752.556 26.15828 -26.00598      36.73996 
1 1 1 1   7  7  o 582.5574 6.225212 4571.199       97.65031 4576.418      138.3722 4566.021       137.8262 582.8882 8.816172 582.2264 8.791369 0.6618042      12.45042 
1 1 1 1   7  8  o 1916.829 20.27599 49666.64       1046.016 48762.98      1452.291 50640.77       1507.854 1898.805 28.40468 1934.852 28.94196 -36.04688      40.55198 
1 1 1 1   7  9  o 875.9998 13.16175 10345.47       310.4566 10345.47      310.4566 0.000000       0.000000 875.9998 13.16175 ?        ?        ?              ?        
1 1 1 1   7  10 o 715.8920 9.495941 6769.587       167.3369 6564.225      198.2343 7278.695       312.1214 697.7356 10.55126 734.0483 15.79121 -36.31274      18.99188 
1 1 1 1   7  11 o 399.2227 5.661067 2151.739       56.63722 2155.178      68.57145 2144.358       100.4687 399.8612 6.368699 398.5842 9.361111 1.276947       11.32213 
1 1 1 1   7  12 o 259.6155 4.555726 928.9576       28.66762 956.3725      34.10653 862.9676       52.91554 266.3919 4.754809 252.8391 7.772408 13.55280       9.111451 
1 1 1 1   7  13 o 175.2610 4.863327 428.8763       19.51240 442.6669      22.53050 387.4973       39.02725 181.2184 4.617270 169.3036 8.560877 11.91472       9.726654 
1 1 1 1   7  14 o 316.0458 5.332309 1349.839       41.23084 1350.440      48.98802 1348.379       76.35041 316.3932 5.750153 315.6985 8.981637 0.6947327      10.66462 
1 1 1 1   7  15 o 368.4728 5.852432 1884.031       55.07989 2009.658      69.20152 1666.871       90.98363 385.9147 6.659488 351.0309 9.625749 34.88379       11.70486 
1 1 1 1   7  16 o 149.2076 7.027537 300.3274       23.29778 299.8224      26.33386 302.1463       49.97970 149.0944 6.559484 149.3208 12.43054 -0.2263947     14.05507 
1 1 1 1   7  17 o 120.3559 8.531861 213.9886       23.11841 232.3409      26.94565 162.7975       45.00290 131.2244 7.625895 109.4873 15.26487 21.73707       17.06372 
1 1 1 1   7  18 o 351.7783 6.631643 1675.740       62.39601 1713.601      84.07920 1629.330       93.08973 356.2816 8.764192 347.2750 9.955084 9.006592       13.26329 
1 1 1 1   7  19 o 375.7649 6.189999 1940.141       56.71418 1984.669      67.62924 1834.614       104.1122 383.4943 6.549260 368.0356 10.50579 15.45871       12.38000 
1 1 1 1   7  20 o 79.91501 13.37449 98.80415       26.01623 109.1310      29.81969 65.89154       53.23548 89.50304 12.37320 70.32698 23.71522 19.17606       26.74898 
1 1 1 1   7  21 o 317.7465 6.640614 1368.075       49.09151 1366.969      56.63568 1371.416       98.44580 318.0678 6.612826 317.4251 11.51788 0.6426392      13.28123 
1 1 1 1   7  22 o 50.53643 15.81591 -7.339635      34.22053 -9.785576     38.17760 2.658501       77.18719 40.46569 17.86898 60.60717 26.10119 -20.14148      31.63183 
1 1 1 1   7  23 o 231.7377 15.69075 716.0931       95.79642 891.9440      156.5226 610.7716       121.1332 253.3819 22.94130 210.0934 21.41250 43.28844       31.38150 
1 1 1 1   7  24 o 40.52063 13.82573 -49.70939      36.45356 -40.23497     40.87967 -86.49215      80.54771 34.80173 16.46588 46.23952 22.21437 -11.43780      27.65146 
1 1 1 1   7  25 o 67.60889 17.51207 49.00211       35.65416 27.39862      39.97499 133.0424       78.84428 49.82211 19.84314 85.39567 28.86070 -35.57356      35.02414 
1 1 1 1   7  26 o 60.80858 13.96485 65.28646       34.95994 103.3823      39.22613 -81.82868      77.08417 79.08933 18.71163 42.52783 20.73506 36.56150       27.92969 
1 1 1 1   7  27 f 50.54346 15.29379 43.94515       35.17323 49.02053      39.61683 25.05157       76.43682 51.49531 19.97857 49.59161 23.16153 1.903702       30.58757 
1 1 1 1   9  0  o 635.9524 6.758801 5447.304       115.7376 5455.994      164.0443 5438.692       163.3135 636.4570 9.572133 635.4478 9.544624 1.009216       13.51760 
1 1 1 1   9  1  f 960.6901 10.15342 12436.74       262.6331 12521.67      374.0465 12354.14       368.8468 963.9218 14.41121 957.4584 14.30681 6.463379       20.30684 
1 1 1 1   9  2  o 710.1289 7.533361 6793.330       144.0483 6797.750      203.9821 6788.932       203.4491 710.3590 10.66426 709.8989 10.64329 0.4601440      15.06672 
1 1 1 1   9  3  o 1040.221 10.99543 14585.20       307.9783 14605.67      436.1360 14564.85       434.9606 1040.948 15.55999 1039.495 15.53976 1.453979       21.99085 
1 1 1 1   9  4  o 783.8804 8.307281 8274.582       175.2809 8411.951      252.0067 8145.845       243.9584 790.1755 11.84418 777.5853 11.65157 12.59021       16.61456 
1 1 1 1   9  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9  6  o 698.9252 7.440613 6560.166       139.6855 6858.987      206.4563 6307.891       189.6965 713.5498 10.74535 684.3007 10.29506 29.24915       14.88123 
1 1 1 1   9  7  o 402.0569 4.426084 2175.746       47.89164 2210.815      69.06959 2143.272       66.46357 405.1743 6.330843 398.9394 6.187188 6.234924       8.852168 
1 1 1 1   9  8  o 372.7252 5.845706 1870.972       58.66906 0.000000      0.000000 1870.972       58.66906 ?        ?        372.7252 5.845706 ?              ?        
1 1 1 1   9  9  o 566.5707 6.112251 4326.874       93.24599 4305.447      131.3684 4348.631       132.3768 565.1580 8.632524 567.9833 8.655517 -2.825378      12.22450 
1 1 1 1   9  10 o 370.4868 4.206882 1841.046       41.82278 1748.536      56.37193 1954.309       62.37533 360.1937 5.812239 380.7798 6.083529 -20.58615      8.413765 
1 1 1 1   9  11 o 456.4261 5.075703 2808.354       62.33088 2742.863      86.09789 2880.480       90.35443 450.8529 7.092090 461.9993 7.263146 -11.14636      10.15141 
1 1 1 1   9  12 o 223.5006 7.639205 674.7013       45.97377 0.000000      0.000000 674.7013       45.97377 ?        ?        223.5006 7.639205 ?              ?        
1 1 1 1   9  13 o 201.1326 4.726214 541.6635       21.75234 537.7064      24.85308 554.6199       44.97126 199.7170 4.621487 202.5482 8.245621 -2.831146      9.452429 
1 1 1 1   9  14 o 177.0114 5.397929 420.6057       20.22301 419.0293      22.46571 427.3397       46.43268 176.3128 4.732089 177.7101 9.703499 -1.397232      10.79586 
1 1 1 1   9  15 o 181.8288 5.943191 440.8273       22.22212 437.7618      24.46091 455.3113       53.17065 180.2200 5.040648 183.4375 10.76466 -3.217560      11.88638 
1 1 1 1   9  16 o 252.2939 5.167504 848.0335       30.39993 837.4550      34.99960 880.5325       61.34585 249.2655 5.214558 255.3222 8.923048 -6.056702      10.33501 
1 1 1 1   9  17 o 332.7397 5.630570 1492.313       46.18670 1490.043      55.14597 1497.647       84.53173 332.4611 6.160126 333.0184 9.426883 -0.5573730     11.26114 
1 1 1 1   9  18 o 239.0893 5.887158 757.9294       32.38634 745.6075      37.01630 798.1503       66.87720 235.1783 5.845376 243.0004 10.22087 -7.822098      11.77432 
1 1 1 1   9  19 o 111.6477 9.838077 170.8259       24.32957 171.4824      27.52085 168.4772       52.05202 112.5493 9.081042 110.7460 17.45525 1.803253       19.67615 
1 1 1 1   9  20 o 203.1047 7.037058 584.9919       32.31296 608.2206      37.20490 513.6738       65.19109 212.1633 6.512481 194.0460 12.47671 18.11728       14.07412 
1 1 1 1   9  21 o 113.4037 19.32996 192.6362       57.89764 199.9638      88.46074 187.1451       76.57800 114.8390 28.69014 111.9683 25.91265 2.870697       38.65992 
1 1 1 1   9  22 o 185.9210 10.26283 441.4092       43.25826 402.2522      48.52829 592.8894       95.44824 170.2818 10.58384 201.5602 17.58651 -31.27841      20.52567 
1 1 1 1   9  23 o 114.8247 16.56332 237.6459       41.82457 254.0580      47.53858 181.4209       87.98890 132.8160 13.29268 96.83337 30.34270 35.98260       33.12665 
1 1 1 1   9  24 o 100.9169 16.38299 131.9467       35.98191 109.8120      39.73370 232.8303       84.82655 84.90327 17.94180 116.9306 27.41718 -32.02732      32.76598 
1 1 1 1   9  25 o 143.6734 12.52585 341.2779       37.34732 365.0727      43.01099 268.3539       75.29646 161.1565 9.911700 126.1902 23.00752 34.96638       25.05170 
1 1 1 1   9  26 f 43.03075 14.21805 -5.538086      34.43754 -1.967641     38.54607 -19.65939      76.65781 38.72114 17.46359 47.34037 22.44180 -8.619225      28.43609 
1 1 1 1   9  27 o 71.96992 13.63440 126.4707       34.59982 152.2894      38.81587 26.61203       76.33710 95.68554 15.06536 48.25429 22.72933 47.43125       27.26880 
1 1 1 1   11 0  o 455.6286 4.942862 2795.215       60.63100 2823.035      86.72776 2768.622       84.79528 457.8447 7.034878 453.4125 6.945361 4.432220       9.885724 
1 1 1 1   11 1  o 1984.022 20.98140 53237.11       1120.674 53876.38      1604.088 52627.57       1566.332 1995.597 29.85189 1972.448 29.49137 23.14941       41.96280 
1 1 1 1   11 2  o 526.4330 5.656648 3732.225       80.18130 3744.087      113.8990 3720.572       112.8947 527.2617 8.022508 525.6043 7.976844 1.657410       11.31330 
1 1 1 1   11 3  o 897.1553 9.504546 10846.80       229.6055 10836.32      324.5494 10857.30       324.8733 896.7214 13.44126 897.5892 13.44166 -0.8678589     19.00909 
1 1 1 1   11 4  f 744.9669 7.918162 7477.662       158.8338 7461.516      224.2388 7493.919       225.0132 744.1602 11.19079 745.7736 11.20515 -1.613342      15.83632 
1 1 1 1   11 5  o 646.0071 6.901877 5614.847       119.9303 5783.363      174.5193 5464.053       165.0877 655.1727 9.892457 636.8415 9.627197 18.33118       13.80375 
1 1 1 1   11 6  o 697.0513 10.52081 6548.448       197.4682 6548.448      197.4682 0.000000       0.000000 697.0513 10.52081 ?        ?        ?              ?        
1 1 1 1   11 7  o 604.4968 6.492977 4916.509       105.5219 5083.564      154.4949 4770.430       144.4700 614.0909 9.343255 594.9028 9.018789 19.18811       12.98595 
1 1 1 1   11 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11 9  o 190.7772 2.873047 490.6190       14.72863 484.8336      21.46000 495.7710       20.25136 189.7095 4.201043 191.8448 3.920311 -2.135315      5.746095 
1 1 1 1   11 10 o 438.9084 4.887661 2598.702       57.74388 2634.673      82.97632 2564.923       80.40857 441.8432 6.974332 435.9738 6.849496 5.869415       9.775321 
1 1 1 1   11 11 o 195.3503 3.073694 513.7517       16.13388 505.0550      22.02932 523.8135       23.69514 193.5756 4.226366 197.1250 4.464103 -3.549393      6.147388 
1 1 1 1   11 12 o 148.0419 3.410677 296.2151       13.43424 300.3617      17.75371 290.6599       20.54912 149.2742 4.416935 146.8096 5.198227 2.464539       6.821354 
1 1 1 1   11 13 o 266.3232 3.696484 955.1771       26.48263 932.7168      36.50298 980.1351       38.47933 263.0269 5.154003 269.6194 5.300209 -6.592499      7.392967 
1 1 1 1   11 14 f 229.9052 4.960098 721.7113       26.65772 730.6693      30.92239 695.7875       52.60383 232.8394 4.932114 226.9709 8.607238 5.868500       9.920197 
1 1 1 1   11 15 o 290.2109 5.164436 1157.038       36.68081 1187.547      43.88774 1086.344       66.80733 296.8104 5.491371 283.6113 8.748168 13.19907       10.32887 
1 1 1 1   11 16 o 246.9261 5.318957 827.7950       30.99250 833.6075      36.07642 811.4210       60.55082 248.7075 5.387053 245.1448 9.173053 3.562637       10.63791 
1 1 1 1   11 17 o 310.7141 5.571066 1313.624       42.09473 1328.459      49.94412 1277.240       78.21832 313.9216 5.908535 307.5065 9.446497 6.415070       11.14213 
1 1 1 1   11 18 o 162.6916 6.576979 337.9841       23.02742 325.4270      25.52616 392.8669       53.36533 155.2885 6.104681 170.0947 11.65159 -14.80621      13.15396 
1 1 1 1   11 19 o 199.8030 6.468676 524.6737       28.46123 512.9131      31.90894 570.4442       62.94909 194.8825 6.080737 204.7235 11.41927 -9.841064      12.93735 
1 1 1 1   11 20 o 101.2556 13.10293 117.2723       28.88613 96.56969      32.01990 207.7780       66.94919 82.58974 14.94861 119.9215 21.52409 -37.33174      26.20586 
1 1 1 1   11 21 o 108.3822 14.37952 158.5331       33.32575 148.6528      37.09044 199.9264       75.91743 103.3822 13.32394 113.3823 25.48637 -10.00007      28.75904 
1 1 1 1   11 22 o 61.10339 17.83460 -90.74442      44.40580 -142.6949     49.46577 124.9249       100.7869 28.86492 14.49252 93.34185 32.59232 -64.47693      35.66921 
1 1 1 1   11 23 o 261.7057 8.604759 1038.835       48.60753 1100.089      55.48529 836.6833       100.7970 283.4262 7.270335 239.9852 15.59839 43.44109       17.20952 
1 1 1 1   11 24 o 55.68867 16.15857 35.42154       31.68516 36.26891      34.54576 30.93129       79.52272 51.24917 18.93167 60.12816 26.19139 -8.878990      32.31713 
1 1 1 1   11 25 o 84.29322 15.34037 126.2068       31.46292 127.9531      35.13298 119.1339       70.70567 92.36589 14.12602 76.22055 27.23532 16.14534       30.68073 
1 1 1 1   11 26 o 49.95811 13.83010 45.39833       31.77797 67.94453      35.31799 -50.45863      72.82342 59.44713 19.29247 40.46908 19.82138 18.97805       27.66019 
1 1 1 1   13 0  o 356.8814 4.019985 1715.040       38.62704 1727.873      55.07665 1702.618       54.18796 358.1947 5.710380 355.5681 5.659742 2.626556       8.039970 
1 1 1 1   13 1  o 1051.384 11.14639 14901.25       315.3142 15259.49      456.8399 14575.32       435.7505 1063.412 15.95434 1039.356 15.57006 24.05676       22.29278 
1 1 1 1   13 2  o 568.2112 6.118382 4349.132       93.59451 4396.663      133.9051 4303.731       130.8722 571.2433 8.705478 565.1791 8.599596 6.064270       12.23676 
1 1 1 1   13 3  o 491.5162 5.336111 3254.720       70.61974 3263.901      100.4143 3245.735       99.33726 492.2007 7.576519 490.8318 7.516161 1.368927       10.67222 
1 1 1 1   13 4  o 254.9908 3.179742 875.7074       21.82583 873.8744      31.23233 877.4571       30.51300 254.7289 4.553473 255.2526 4.439473 -0.5236664     6.359484 
1 1 1 1   13 5  o 130.9676 3.045347 231.0532       10.73810 227.8302      15.23082 234.2386       15.14151 130.0588 4.349106 131.8763 4.264017 -1.817505      6.090695 
1 1 1 1   13 6  f 209.1966 2.993920 589.0288       16.85593 615.8069      24.20534 563.8171       23.48667 213.8096 4.204367 204.5835 4.263511 9.226059       5.987840 
1 1 1 1   13 7  o 237.7844 3.206619 761.6243       20.52683 771.0919      29.39592 752.6147       28.67612 239.2250 4.563489 236.3438 4.506017 2.881287       6.413239 
1 1 1 1   13 8  o 129.6437 4.046093 226.4672       14.12443 0.000000      0.000000 226.4672       14.12443 ?        ?        129.6437 4.046093 ?              ?        
1 1 1 1   13 9  o 294.8429 3.641989 1168.096       28.75738 1209.916      43.28786 1135.058       38.47447 299.5309 5.367117 290.1549 4.924469 9.376038       7.283978 
1 1 1 1   13 10 o 267.1791 3.495824 962.5004       25.06446 963.0167      37.00626 962.0629       34.06867 267.2286 5.142909 267.1296 4.736415 0.9902954E-01  6.991648 
1 1 1 1   13 11 o 234.5486 3.405954 740.1805       21.42854 759.4351      31.89808 724.3445       28.92819 237.3093 4.991906 231.7879 4.634973 5.521408       6.811909 
1 1 1 1   13 12 o 131.1936 3.786651 231.9249       13.37272 239.1156      19.17628 225.1174       18.65812 133.1723 5.347703 129.2149 5.362555 3.957352       7.573303 
1 1 1 1   13 13 o 83.41480 5.438836 93.45114       12.12776 90.29678      16.09208 97.59828       18.45147 81.80360 7.305607 85.02601 8.059271 -3.222412      10.87767 
1 1 1 1   13 14 o 281.7084 5.274209 1069.584       40.00743 1069.584      40.00743 0.000000       0.000000 281.7084 5.274209 ?        ?        ?              ?        
1 1 1 1   13 15 f 213.2449 3.867870 617.4867       22.02962 691.6993      30.70550 538.7679       31.62399 226.5650 5.033152 199.9248 5.874442 26.64024       7.735741 
1 1 1 1   13 16 o 257.8223 5.365817 898.2955       32.30825 899.7465      37.35430 893.9874       64.36927 258.3744 5.369177 257.2701 9.291927 1.104279       10.73163 
1 1 1 1   13 17 o 210.6309 5.766168 600.7706       26.93036 601.4910      30.43809 598.1742       57.78429 211.1748 5.352935 210.0870 10.21474 1.087753       11.53234 
1 1 1 1   13 18 o 69.05695 12.26625 78.20556       19.83763 86.84432      21.66213 33.30617       49.38507 79.97641 10.05902 58.13749 22.37542 21.83892       24.53250 
1 1 1 1   13 19 o 76.33710 14.80386 52.38568       26.89985 30.71216      29.60297 155.0677       64.43436 49.98983 17.64819 102.6844 23.77307 -52.69455      29.60773 
1 1 1 1   13 20 o 68.28369 16.63165 50.96609       30.24531 41.97791      33.39488 91.98694       71.34214 55.97651 18.78352 80.59087 27.45226 -24.61435      33.26331 
1 1 1 1   13 21 f 109.9935 24.68432 174.4987       80.50468 182.3951      130.7271 169.6746       102.1782 112.3723 37.14873 107.6148 32.51516 4.757515       49.36865 
1 1 1 1   13 22 o 133.7181 15.49091 353.4951       35.34489 390.9802      38.79144 170.2231       85.77389 168.7012 8.539539 98.73502 29.78169 69.96616       30.98182 
1 1 1 1   13 23 o 206.7757 9.129947 649.8338       39.12736 679.3707      43.94179 536.7656       85.97372 222.6370 7.329883 190.9144 16.72413 31.72255       18.25989 
1 1 1 1   13 24 f 85.54512 15.06541 139.3218       31.34793 149.6630      34.52121 90.70362       74.85131 101.3622 12.64814 69.72804 27.34760 31.63416       30.13083 
1 1 1 1   13 25 o 62.56456 15.91231 74.52323       30.54463 72.51057      33.61952 84.04066       73.10809 63.67778 18.50497 61.45135 25.89155 2.226425       31.82461 
1 1 1 1   15 0  o 283.0791 3.467410 1079.653       26.42970 1085.172      37.47337 1074.190       37.28184 283.7990 4.903753 282.3593 4.903563 1.439697       6.934820 
1 1 1 1   15 1  f 859.6047 9.174338 9996.020       212.2781 10153.96      305.0890 9847.797       295.5513 866.1472 13.08132 853.0623 12.86674 13.08490       18.34868 
1 1 1 1   15 2  o 389.3796 4.403337 2043.052       46.15115 2071.438      66.32948 2016.413       64.25513 391.9959 6.284080 386.7634 6.169913 5.232513       8.806673 
1 1 1 1   15 3  o 562.2740 6.094849 4268.236       92.27509 4277.160      130.9957 4259.446       130.0033 562.8530 8.643284 561.6949 8.595486 1.158081       12.18970 
1 1 1 1   15 4  o 131.5019 4.675332 233.0522       16.55494 0.000000      0.000000 233.0522       16.55494 ?        ?        131.5019 4.675332 ?              ?        
1 1 1 1   15 5  o 152.3983 3.272495 312.0467       13.36725 322.7623      20.02184 303.4292       17.95491 154.7452 4.805110 150.0515 4.443851 4.693726       6.544989 
1 1 1 1   15 6  o 219.5413 3.258981 649.3483       19.26089 632.5826      26.90734 666.9669       27.58326 216.6362 4.612711 222.4464 4.605075 -5.810165      6.517962 
1 1 1 1   15 7  o 346.6107 4.092898 1620.913       38.19656 1643.809      54.40261 1598.653       53.64162 349.0243 5.788695 344.1971 5.787770 4.827148       8.185797 
1 1 1 1   15 8  o 234.4871 3.401825 739.9010       21.45215 768.6675      31.30858 714.4445       29.45229 238.7710 4.869658 230.2032 4.751430 8.567764       6.803650 
1 1 1 1   15 9  o 163.0063 3.457849 361.7803       14.94821 335.5323      22.73627 381.7643       19.83867 157.7232 5.353530 168.2894 4.377966 -10.56621      6.915697 
1 1 1 1   15 10 o 152.3683 3.577206 313.4062       14.15015 311.3461      23.30667 314.6089       17.80782 151.9446 5.696548 152.7921 4.328389 -0.8475800     7.154412 
1 1 1 1   15 11 o 121.6989 4.466529 209.2347       13.51505 173.2961      23.06120 228.0352       16.67960 113.3163 7.557986 130.0815 4.761971 -16.76521      8.933058 
1 1 1 1   15 12 o 205.6023 3.699685 564.7834       20.07662 594.3549      32.07009 545.7251       25.74572 209.9687 5.672340 201.2360 4.751339 8.732727       7.399369 
1 1 1 1   15 13 o 114.9198 7.720716 178.1707       23.89109 178.1707      23.89109 0.000000       0.000000 114.9198 7.720716 ?        ?        ?              ?        
1 1 1 1   15 14 o 426.6806 4.967941 2445.990       56.91849 2336.024      77.08534 2577.818       84.40097 416.1921 6.878513 437.1691 7.169924 -20.97702      9.935883 
1 1 1 1   15 15 o 538.5138 6.038739 3918.839       87.56397 3929.622      123.8619 3908.066       123.8064 539.2567 8.530193 537.7709 8.549929 1.485718       12.07748 
1 1 1 1   15 16 o 144.6491 4.748673 282.0987       18.24660 279.6080      23.87334 285.5977       28.29586 143.9189 6.160442 145.3792 7.228316 -1.460312      9.497347 
1 1 1 1   15 17 o 53.25197 10.88315 34.42603       16.94089 18.11748      21.34448 62.18785       27.84851 40.53289 14.89637 65.97105 15.87040 -25.43815      21.76629 
1 1 1 1   15 18 o 53.98996 13.70569 37.26568       25.21857 50.78094      27.82664 -24.86422      59.66215 59.68825 16.67218 48.29167 21.75826 11.39658       27.41138 
1 1 1 1   15 19 o 138.6839 11.69255 283.0048       32.25540 289.6134      35.57649 252.4833       76.45547 145.6309 9.072481 131.7370 21.55349 13.89398       23.38510 
1 1 1 1   15 20 o 190.1304 16.77043 760.1577       58.35114 1109.603      72.58862 121.9343       98.09920 286.1480 9.420945 94.11286 32.19060 192.0351       33.54085 
1 1 1 1   15 21 o 151.7852 11.64888 368.7980       31.71200 384.6976      34.49931 282.1588       80.53333 167.6797 7.640934 135.8906 22.00912 31.78908       23.29775 
1 1 1 1   15 22 o 231.4127 7.894228 751.1699       38.13410 752.0880      42.33173 747.2172       87.83581 234.6555 6.699647 228.1699 14.29650 6.485565       15.78846 
1 1 1 1   15 23 o 35.51357 12.50580 -62.17995      27.07452 -70.42727     29.50533 -18.22363      68.11690 23.29631 11.62101 47.73082 22.14797 -24.43451      25.01161 
1 1 1 1   15 24 o 51.26617 15.35942 30.57791       28.70933 22.32830      31.44915 71.83131       70.32705 42.55456 17.36600 59.97778 25.33909 -17.42323      30.71884 
1 1 1 1   17 0  o 261.4705 3.535090 920.8813       24.87490 952.8593      35.91493 891.3982       34.48545 265.8271 5.017559 257.1139 4.981119 8.713165       7.070180 
1 1 1 1   17 1  o 692.7641 7.491344 6507.897       139.7420 6494.144      197.3084 6521.740       197.9433 692.0324 10.58853 693.4958 10.60019 -1.463379      14.98269 
1 1 1 1   17 2  o 300.4403 3.764956 1217.114       30.44658 1200.799      42.37482 1234.526       43.77525 298.3652 5.274440 302.5155 5.374000 -4.150299      7.529913 
1 1 1 1   17 3  o 360.6601 4.226745 1754.610       41.03389 1726.840      57.14461 1784.171       58.95929 357.7216 5.932622 363.5985 6.022083 -5.876892      8.453490 
1 1 1 1   17 4  o 533.7598 5.867625 3850.976       84.31758 3885.573      120.5578 3817.847       117.9705 536.0919 8.351655 531.4277 8.244147 4.664124       11.73525 
1 1 1 1   17 5  o 308.1827 3.833133 1280.940       31.78509 1288.766      45.90599 1273.734       44.05305 309.0759 5.515957 307.2896 5.324083 1.786316       7.666266 
1 1 1 1   17 6  o 108.3103 4.797441 158.9759       13.92579 142.3132      19.80024 175.2858       19.58953 102.6558 7.163142 113.9647 6.383665 -11.30895      9.594883 
1 1 1 1   17 7  o 49.97714 9.224639 34.64489       13.26725 51.32229      18.87244 18.34976       18.65489 60.47372 12.01332 39.48056 14.00200 20.99315       18.44928 
1 1 1 1   17 8  o 180.0439 3.808838 438.0318       18.39791 451.0643      25.19654 423.1480       26.92670 182.9308 5.115295 177.1569 5.644711 5.773880       7.617677 
1 1 1 1   17 9  o 321.9275 4.077106 1397.240       35.34195 1391.986      49.87115 1402.540       50.09170 321.3197 5.764062 322.5353 5.767733 -1.215607      8.154211 
1 1 1 1   17 10 o 190.0545 3.671103 483.5136       18.54994 507.1539      28.89589 466.9417       24.19326 193.9649 5.532603 186.1440 4.826830 7.820908       7.342206 
1 1 1 1   17 11 o 402.5320 6.621698 2184.797       71.77170 0.000000      0.000000 2184.797       71.77170 ?        ?        402.5320 6.621698 ?              ?        
1 1 1 1   17 12 o 320.6984 4.203978 1387.441       36.26712 1319.192      51.36700 1455.280       51.21224 312.8180 6.098304 328.5787 5.788300 -15.76065      8.407956 
1 1 1 1   17 13 o 76.42696 9.007543 94.13625       15.46228 52.63956      27.42275 113.4785       18.72223 61.15059 16.34182 91.70335 7.582090 -30.55276      18.01509 
1 1 1 1   17 14 o 245.5481 4.106594 804.9981       26.63243 855.8463      42.53633 772.2125       34.15576 251.8158 6.273265 239.2805 5.301189 12.53534       8.213188 
1 1 1 1   17 15 o 247.2462 4.171206 828.2869       27.63267 790.5486      40.59457 860.8706       37.72050 241.9394 6.231290 252.5530 5.546787 -10.61357      8.342411 
1 1 1 1   17 16 o 361.7391 6.562610 1767.963       63.92274 0.000000      0.000000 1767.963       63.92274 ?        ?        361.7391 6.562610 ?              ?        
1 1 1 1   17 17 o 247.9344 4.783586 829.5559       31.80784 809.8329      42.88342 853.6775       47.42480 244.7108 6.508079 251.1580 7.012537 -6.447144      9.567171 
1 1 1 1   17 18 o 131.3922 11.07594 241.4547       39.18623 241.4547      39.18623 0.000000       0.000000 131.3922 11.07594 ?        ?        ?              ?        
1 1 1 1   17 19 o 45.45732 12.95013 -19.84652      29.56248 -79.74355     39.35547 57.71373       44.78391 28.54544 14.09571 62.36921 21.72865 -33.82377      25.90025 
1 1 1 1   17 20 o 95.59641 13.81893 148.4290       27.11637 153.4721      29.99480 125.8717       63.43641 104.8693 10.62219 86.32349 25.51510 18.54582       27.63786 
1 1 1 1   17 21 o 124.6315 11.50387 236.8522       27.30143 240.4789      30.07405 219.8591       65.09818 131.9348 8.465433 117.3283 21.39375 14.60651       23.00774 
1 1 1 1   17 22 o 48.33954 14.58401 20.56204       28.24879 19.79249      31.52353 23.69938       63.64976 43.25484 17.48386 53.42424 23.34712 -10.16940      29.16802 
1 1 1 1   17 23 o 84.62270 14.64687 146.3198       29.89246 154.5031      32.86369 107.1040       71.94193 101.6219 12.01007 67.62351 26.71855 33.99836       29.29374 
1 1 1 1   19 0  o 40.96804 9.955367 19.31602       13.53043 11.30932      18.15368 29.32268       20.29468 35.32514 13.57348 46.61094 14.56702 -11.28580      19.91073 
1 1 1 1   19 1  o 274.6308 3.765691 1017.094       27.83775 1024.807      38.95810 1009.047       39.79221 275.7007 5.247790 273.5609 5.402075 2.139801       7.531382 
1 1 1 1   19 2  o 288.3160 3.828041 1120.742       29.71741 1134.956      42.19136 1106.748       41.86408 290.1310 5.400649 286.5009 5.426654 3.630066       7.656081 
1 1 1 1   19 3  o 191.3743 3.636565 494.1062       18.67857 498.9507      25.47852 488.4772       27.46407 192.3995 4.917982 190.3491 5.358345 2.050400       7.273129 
1 1 1 1   19 4  o 184.4062 3.636226 458.3575       18.05550 458.7825      25.55178 457.9336       25.51692 184.4915 5.143532 184.3208 5.141269 0.1706543      7.272453 
1 1 1 1   19 5  o 117.8896 4.892084 185.8296       15.34008 230.9063      22.80573 148.5823       20.73073 130.8454 6.472946 104.9338 7.336956 25.91164       9.784168 
1 1 1 1   19 6  o 207.4846 5.373092 580.3077       30.01882 580.3077      30.01882 0.000000       0.000000 207.4846 5.373092 ?        ?        ?              ?        
1 1 1 1   19 7  o 737.8185 7.977891 7366.068       158.4931 7339.628      223.2211 7392.951       225.0767 736.4919 11.25600 739.1450 11.30882 -2.653137      15.95578 
1 1 1 1   19 8  o 637.5055 6.961134 5489.145       119.4764 5551.975      170.7691 5428.902       167.2171 641.0675 9.892868 633.9434 9.795954 7.124084       13.92227 
1 1 1 1   19 9  o 224.9462 3.935962 682.6838       23.74797 690.3082      32.29540 673.7075       35.04187 226.3263 5.299346 223.5661 5.821006 2.760254       7.871923 
1 1 1 1   19 10 o 147.5598 4.637928 293.3116       18.41688 280.0220      25.62307 307.5151       26.48934 144.1039 6.603469 151.0157 6.514269 -6.911789      9.275856 
1 1 1 1   19 11 o 291.9555 3.999788 1148.795       31.39399 1159.199      45.79883 1139.574       43.11796 293.1901 5.801251 290.7209 5.508058 2.469177       7.999576 
1 1 1 1   19 12 f 145.8982 4.672907 283.7727       17.33671 298.2860      30.27750 276.6932       21.14648 148.5756 7.568141 143.2208 5.483381 5.354721       9.345814 
1 1 1 1   19 13 o 187.2934 4.481209 489.6242       21.50668 416.5517      34.82694 534.6665       27.34315 175.5142 7.369187 199.0725 5.100983 -23.55827      8.962419 
1 1 1 1   19 14 o 276.4574 4.241267 1031.930       31.32434 1032.840      47.36618 1031.222       41.76015 276.5148 6.361605 276.4000 5.611005 0.1148376      8.482534 
1 1 1 1   19 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 17 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 18 o 118.0627 8.123755 195.6878       25.42065 225.3396      35.09888 162.9737       36.86668 127.9516 10.18742 108.1738 12.65693 19.77776       16.24751 
1 1 1 1   19 19 o 147.7166 6.467294 297.4191       25.55165 264.6782      33.89494 340.5177       38.88854 138.4463 9.092222 156.9868 9.199731 -18.54044      12.93459 
1 1 1 1   19 20 o 38.68777 11.89061 0.2661442      23.74367 14.26538      31.30783 -18.68652      36.42805 41.79350 17.22213 35.58203 16.39955 6.211475       23.78123 
1 1 1 1   19 21 o 118.4561 8.376412 205.1823       26.52312 219.5718      36.40601 188.9059       38.71951 123.5520 10.94308 113.3601 12.68487 10.19194       16.75282 
1 1 1 1   19 22 o 71.03551 14.17083 111.5529       33.20358 137.6328      38.92234 41.84489       63.63371 90.29431 16.62111 51.77671 22.95622 38.51760       28.34165 
1 1 1 1   21 0  o 509.0215 5.713883 3496.877       78.31509 3504.216      110.5482 3489.484       110.9615 509.5613 8.056970 508.4818 8.104263 1.079468       11.42777 
1 1 1 1   21 1  o 155.5884 4.460637 325.5069       18.56452 318.9913      24.75571 333.8795       28.06252 153.8257 5.976723 157.3511 6.623285 -3.525375      8.921274 
1 1 1 1   21 2  o 652.8630 7.132166 5758.816       125.3726 5803.488      178.4590 5715.282       176.1704 655.3565 10.11294 650.3695 10.05980 4.987000       14.26433 
1 1 1 1   21 3  o 297.4208 4.041587 1189.279       32.29074 1151.097      43.91086 1234.240       47.64995 292.2437 5.580119 302.5980 5.848076 -10.35434      8.083175 
1 1 1 1   21 4  o 150.2470 4.347321 302.5635       17.53181 282.5005      23.67041 326.9449       26.09380 144.7636 6.072436 155.7304 6.222724 -10.96678      8.694641 
1 1 1 1   21 5  o 125.3918 4.979169 212.0052       16.80987 215.6579      23.97055 208.4707       23.57975 126.4543 7.039810 124.3292 7.043406 2.125122       9.958339 
1 1 1 1   21 6  o 320.8004 5.972369 1387.332       51.58992 1387.332      51.58992 0.000000       0.000000 320.8004 5.972369 ?        ?        ?              ?        
1 1 1 1   21 7  o 559.7349 6.226866 4230.056       93.84996 4216.905      132.5803 4243.264       132.8679 558.8621 8.810308 560.6075 8.801929 -1.745422      12.45373 
1 1 1 1   21 8  o 260.6565 4.114099 916.7062       28.82763 922.4127      39.71185 910.3492       41.91407 261.5285 5.639202 259.7845 5.991882 1.744049       8.228198 
1 1 1 1   21 9  o 89.14229 8.692675 118.2674       18.65528 147.3683      24.38732 77.21862       28.96422 104.3759 8.677213 73.90863 15.06507 30.46732       17.38535 
1 1 1 1   21 10 o 152.2347 5.170117 311.9337       21.08934 300.4692      28.24614 326.3750       31.70172 149.1104 7.035057 155.3589 7.578153 -6.248444      10.34023 
1 1 1 1   21 11 o 269.3674 5.895463 979.7581       42.76084 979.7581      42.76084 0.000000       0.000000 269.3674 5.895463 ?        ?        ?              ?        
1 1 1 1   21 12 o 106.7772 10.84209 155.0020       31.17273 155.0020      31.17273 0.000000       0.000000 106.7772 10.84209 ?        ?        ?              ?        
1 1 1 1   21 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   21 14 o 148.4212 7.570485 299.2626       30.25541 0.000000      0.000000 299.2626       30.25541 ?        ?        148.4212 7.570485 ?              ?        
1 1 1 1   21 15 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   21 16 o 70.11485 17.64606 75.15825       33.28962 0.000000      0.000000 75.15825       33.28962 ?        ?        70.11485 17.64606 ?              ?        
1 1 1 1   21 17 o 102.3234 8.346895 148.9104       22.40577 110.6686      31.35983 188.7884       32.02369 88.19298 13.20555 116.4538 10.21255 -28.26082      16.69379 
1 1 1 1   21 18 o 120.9243 7.871569 211.9565       24.54796 148.3641      35.37013 271.0533       34.09698 101.9941 12.87888 139.8544 9.054331 -37.86025      15.74314 
1 1 1 1   21 19 o 60.43894 11.69532 35.39620       24.93856 122.8302      40.66058 -17.32877      31.57488 87.97094 17.77690 32.90694 15.20209 55.06400       23.39063 
1 1 1 1   21 20 o 65.28220 13.64756 74.91282       25.62782 74.39371      38.03999 75.34425       34.67914 64.60241 19.90317 65.96199 18.67853 -1.359581      27.29512 
1 1 1 1   21 21 o 138.4024 8.437164 297.8906       30.94470 335.9685      42.61628 255.4219       45.00628 149.7367 10.56973 127.0682 13.15385 22.66851       16.87433 
1 1 1 1   23 0  o 321.1540 4.354145 1391.502       37.63479 1405.066      52.56458 1377.236       53.90812 322.7704 6.048061 319.5376 6.265401 3.232788       8.708289 
1 1 1 1   23 1  o 94.35992 8.327393 133.7115       18.62129 170.4817      24.35566 81.97532       28.89012 112.3418 8.051466 76.37801 14.57929 35.96383       16.65479 
1 1 1 1   23 2  o 113.6885 6.081886 170.3782       18.38084 142.2859      23.95968 210.5589       28.65473 102.5806 8.674264 124.7965 8.527279 -22.21596      12.16377 
1 1 1 1   23 3  o 45.46128 11.37113 24.82530       17.35867 28.06398      22.68129 20.24617       26.96963 46.52496 15.47821 44.39759 16.66240 2.127365       22.74226 
1 1 1 1   23 4  o 339.5289 4.429873 1554.588       40.47565 1520.508      56.08081 1591.641       58.47678 335.6561 6.204923 343.4017 6.324085 -7.745605      8.859747 
1 1 1 1   23 5  o 172.8487 4.508121 401.9138       20.94471 431.8359      30.68789 375.8213       28.65690 178.8501 6.372275 166.8473 6.378616 12.00275       9.016243 
1 1 1 1   23 6  o 103.0955 6.921114 143.7468       19.16416 159.0139      27.84408 130.0049       26.41665 108.3006 9.548136 97.89041 10.02200 10.41019       13.84223 
1 1 1 1   23 7  o 274.3108 4.231596 1011.238       31.16828 1080.606      46.24482 953.4988       42.19081 282.8779 6.071285 265.7436 5.896194 17.13434       8.463191 
1 1 1 1   23 8  o 151.0184 5.498893 309.4178       22.29960 330.8903      31.24758 287.1327       31.83339 156.4059 7.419589 145.6309 8.117943 10.77501       10.99779 
1 1 1 1   23 9  o 60.25332 17.74414 51.09174       30.72967 51.09174      30.72967 0.000000       0.000000 60.25332 17.74414 ?        ?        ?              ?        
1 1 1 1   23 10 o 166.4214 8.192383 375.5307       36.71156 375.5307      36.71156 0.000000       0.000000 166.4214 8.192383 ?        ?        ?              ?        
1 1 1 1   23 11 o 208.7269 7.483819 589.8946       42.06154 589.8946      42.06154 0.000000       0.000000 208.7269 7.483819 ?        ?        ?              ?        
1 1 1 1   23 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   23 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   23 14 o 217.5392 5.457936 640.6267       30.77727 662.8500      51.33413 628.1555       38.45529 220.1032 8.661568 214.9752 6.643306 5.127960       10.91587 
1 1 1 1   23 15 o 185.9260 5.862463 485.4220       28.53744 425.9518      44.19375 527.9544       37.37411 175.4053 9.356961 196.4468 7.065493 -21.04155      11.72493 
1 1 1 1   23 16 o 71.69223 12.86564 80.60046       24.23842 75.78335      40.95946 83.19642       30.06839 69.00233 20.52779 74.38214 15.51480 -5.379814      25.73129 
1 1 1 1   23 17 o 49.86469 13.68074 27.77657       25.49357 52.02908      43.28955 14.89958       31.54365 57.89246 21.22367 41.83691 17.26867 16.05555       27.36149 
1 1 1 1   23 18 o 85.54950 12.15683 141.5833       26.65627 59.36937      45.94146 183.3084       32.72884 58.48405 21.78669 112.6150 10.79323 -54.13090      24.31365 
1 1 1 1   23 19 f 42.56540 12.92964 19.82096       27.57376 -3.675601     45.18933 33.75857       34.80391 39.15880 18.12407 45.97199 18.44506 -6.813194      25.85927 
1 1 1 1   25 0  o 374.9552 4.855833 1898.255       48.96183 1862.550      67.28352 1938.443       71.38316 371.2405 6.730852 378.6699 7.000864 -7.429443      9.711666 
1 1 1 1   25 1  o 589.9042 6.657033 4684.362       105.1370 4411.524      139.9482 5037.854       159.2961 570.4686 9.110712 609.3398 9.708722 -38.87128      13.31407 
1 1 1 1   25 2  o 242.9147 7.013360 797.6286       45.87364 0.000000      0.000000 797.6286       45.87364 ?        ?        242.9147 7.013360 ?              ?        
1 1 1 1   25 3  o 345.7061 4.764380 1616.017       44.32364 1670.672      62.44289 1560.513       62.92608 351.6281 6.595020 339.7840 6.877718 11.84402       9.528761 
1 1 1 1   25 4  o 180.6279 5.279789 440.4159       25.58484 429.6409      34.54758 453.5026       38.07375 178.2193 7.199122 183.0365 7.725111 -4.817139      10.55958 
1 1 1 1   25 5  o 279.2959 4.662706 1056.165       35.02241 1088.292      48.83189 1022.135       50.25719 283.7124 6.392074 274.8794 6.790044 8.833008       9.325412 
1 1 1 1   25 6  o 94.64841 12.59137 122.6295       32.09000 122.6295      32.09000 0.000000       0.000000 94.64841 12.59137 ?        ?        ?              ?        
1 1 1 1   25 7  o 173.3286 5.967119 409.6875       27.55383 425.2698      36.81960 389.8536       41.54006 177.1970 7.716836 169.4603 9.103653 7.736679       11.93424 
1 1 1 1   25 8  o 227.1632 7.517998 710.9809       45.98577 710.9809      45.98577 0.000000       0.000000 227.1632 7.517998 ?        ?        ?              ?        
1 1 1 1   25 9  o 51.75408 13.97941 0.6222442      33.57352 61.21004      45.34797 -72.87029      49.94440 67.27735 21.86227 36.23081 17.42804 31.04654       27.95882 
1 1 1 1   25 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   25 11 o 53.21735 12.78165 33.42892       25.20451 -5.781948     37.42786 65.96561       34.09404 40.14605 17.71203 66.28864 18.43274 -26.14259      25.56329 
1 1 1 1   25 12 o 83.47025 11.74511 103.0819       25.19722 117.4298      39.31943 93.08379       32.82258 88.13759 17.18509 78.80291 16.01446 9.334679       23.49022 
1 1 1 1   25 13 o 167.3860 5.991030 370.2516       26.13468 445.2109      44.15081 329.8190       32.42592 179.6375 9.127633 155.1345 7.762480 24.50302       11.98206 
1 1 1 1   25 14 o 77.05647 12.39556 91.76439       24.69941 99.23605      39.44791 86.94641       31.67724 78.87547 18.83363 75.23748 16.12122 3.637985       24.79111 
1 1 1 1   25 15 o 49.54363 12.63747 30.61888       25.80926 -21.69511     42.40630 61.39792       32.52737 37.55679 17.44361 61.53047 18.29051 -23.97367      25.27494 
1 1 1 1   25 16 o 104.2934 10.61251 174.8501       26.84822 146.9493      44.35943 190.9790       33.72718 93.91563 18.19860 114.6712 10.92300 -20.75562      21.22501 
1 1 1 1   25 17 o 76.03591 13.60585 102.1948       26.77430 131.4344      46.16564 87.37521       32.86626 82.09415 20.84599 69.97767 17.49059 12.11649       27.21169 
1 1 1 1   27 0  o 87.01888 12.07269 117.7875       26.59676 143.5462      34.24366 78.62196       42.22503 101.7003 12.50474 72.33747 20.65504 29.36280       24.14537 
1 1 1 1   27 1  o 86.13203 12.59554 107.7066       28.00462 113.1822      35.79819 99.07066       44.95755 90.35103 14.71447 81.91304 20.44688 8.437988       25.19108 
1 1 1 1   27 2  o 235.7037 5.747225 759.2857       35.90532 801.5169      47.60269 703.5499       54.68674 243.5029 7.260124 227.9045 8.911397 15.59837       11.49445 
1 1 1 1   27 3  o 170.0459 7.593789 372.0158       33.75983 311.6624      42.03656 481.6623       56.65964 151.6600 10.29373 188.4319 11.16699 -36.77190      15.18758 
1 1 1 1   27 4  o 111.1058 14.51767 168.3407       43.43275 168.3407      43.43275 0.000000       0.000000 111.1058 14.51767 ?        ?        ?              ?        
1 1 1 1   27 5  o 57.11500 20.22116 41.09650       38.89058 41.09650      38.89058 0.000000       0.000000 57.11500 20.22116 ?        ?        ?              ?        
1 1 1 1   27 6  o 94.26582 12.35318 143.0348       29.27590 156.1024      37.33931 122.1838       47.16617 103.2119 13.43547 85.31971 20.73384 17.89222       24.70635 
1 1 1 1   27 7  o 295.4760 5.236433 1181.136       41.21855 1137.533      54.04757 1241.749       63.72397 289.2072 6.940385 301.7447 7.842956 -12.53748      10.47287 
1 1 1 1   27 8  o 53.55245 14.18994 37.30286       27.39979 39.99826      35.28251 33.20745       43.49067 53.76958 19.23635 53.33532 20.86578 0.4342651      28.37989 
1 1 1 1   27 9  o 39.48052 12.32767 -6.416766      26.06350 7.208002      36.99533 -19.84305      36.72487 42.88070 18.25826 36.08035 16.56870 6.800358       24.65533 
1 1 1 1   27 10 o 194.4658 7.978662 519.4564       41.77888 519.4564      41.77888 0.000000       0.000000 194.4658 7.978662 ?        ?        ?              ?        
1 1 1 1   27 11 f 34.13744 11.23302 -27.57366      25.78434 -7.270094     34.96293 -51.78292      38.17794 37.35379 16.75781 30.92110 14.96323 6.432684       22.46603 
1 1 1 1   27 12 o 49.41814 13.58381 25.06376       27.20392 0.5502216     36.19772 56.87830       41.23737 39.52446 17.42915 59.31181 20.83997 -19.78735      27.16762 
1 1 1 1   27 13 o 41.70220 12.72332 10.54029       25.95495 6.520139      35.21705 15.32021       38.40094 39.90150 17.40386 43.50290 18.56441 -3.601406      25.44665 
1 1 1 1   27 14 o 33.43549 11.06789 -21.32106      25.56587 -43.79133     37.83517 -2.440591      34.68151 30.47592 14.78308 36.39505 16.47584 -5.919132      22.13579 
1 1 1 1   27 15 o 29.94388 10.33030 -48.22960      27.56795 -75.68704     39.88399 -23.11054      38.14786 27.09989 13.51722 32.78787 15.62515 -5.687981      20.66060 
1 1 1 1   29 0  o 69.24000 12.65262 70.49207       23.35021 58.15364      29.61779 90.75620       37.95654 61.84084 17.17454 76.63916 18.58469 -14.79832      25.30524 
1 1 1 1   29 1  o 70.79241 12.18151 81.87230       24.68117 107.4730      31.26682 39.54698       40.20295 86.94083 13.35601 54.64400 20.37582 32.29683       24.36302 
1 1 1 1   29 2  o 47.83507 13.07431 26.25107       23.91038 34.87028      28.99555 7.935047       42.26813 50.19200 17.48399 45.47813 19.44378 4.713867       26.14862 
1 1 1 1   29 3  o 52.34546 12.73921 35.43513       25.15590 62.19274      31.71826 -9.933066      41.30109 63.94644 17.77802 40.74449 18.25081 23.20195       25.47843 
1 1 1 1   29 4  o 140.7678 11.83946 278.3999       44.87644 0.000000      0.000000 278.3999       44.87644 ?        ?        140.7678 11.83946 ?              ?        
1 1 1 1   29 5  o 80.49450 16.15259 98.16650       33.79269 98.16650      33.79269 0.000000       0.000000 80.49450 16.15259 ?        ?        ?              ?        
1 1 1 1   29 6  o 89.32692 10.93471 117.9393       25.45076 109.3937      33.19132 130.1339       39.64919 86.51303 14.24819 92.14082 16.59098 -5.627785      21.86942 
1 1 1 1   29 7  o 76.05039 12.89230 90.23951       25.22522 84.42410      31.37773 100.8652       42.41414 73.77213 16.23618 78.32865 20.03077 -4.556519      25.78459 
1 1 1 1   29 8  o 115.5774 9.020513 191.7775       26.95671 184.4703      33.51919 205.1567       45.35606 113.6610 10.95213 117.4938 14.33630 -3.832802      18.04103 
1 1 1 1   29 9  o 145.7935 8.356692 329.2564       30.01634 380.0503      37.91729 243.9931       49.12619 164.4869 8.560964 127.1003 14.35434 37.38661       16.71338 
1 1 1 1   29 10 o 106.3360 10.36038 172.2918       28.46814 164.6324      35.40909 186.2923       47.87309 104.9258 12.53282 107.7461 16.50086 -2.820267      20.72076 
1 1 1 1   29 11 o 118.3721 10.53192 236.0823       29.62396 267.1161      37.34991 183.4485       48.64118 134.6768 10.29944 102.0675 18.37409 32.60932       21.06384 
1 1 1 1   29 12 o 56.38272 14.14039 65.10413       27.71264 76.76199      37.05546 50.30845       41.74556 61.95004 19.72590 50.81541 20.26553 11.13463       28.28078 
1 1 1 1   31 0  f 54.54269 13.57068 49.16009       24.88586 54.66211      31.97278 40.70391       39.63749 57.28804 18.33184 51.79733 20.01492 5.490704       27.14136 
1 1 1 1   31 1  o 112.7530 10.32936 208.9829       27.33068 252.6483      35.03737 141.1237       43.67842 133.0809 9.777605 92.42510 18.19838 40.65577       20.65872 
1 1 1 1   31 2  o 63.29184 13.45019 65.38439       24.52456 50.06465      31.21790 90.08031       39.63607 54.87004 18.15430 71.71363 19.85075 -16.84359      26.90039 
1 1 1 1   31 3  o 38.64925 12.04560 3.163075       24.93180 15.73725      31.99739 -16.26829      39.77650 40.96848 17.18816 36.33002 16.88056 4.638458       24.09120 
1 1 1 1   31 4  o 69.94470 12.22519 91.56932       25.71409 120.7135      32.22680 40.50151       42.65942 88.99857 13.44778 50.89083 20.42005 38.10774       24.45038 
1 1 1 1   31 5  o 70.79436 12.34875 91.18155       25.94025 124.3605      34.68272 49.05662       39.07973 88.86386 14.49455 52.72487 19.99687 36.13899       24.69751 
1 1 1 1   31 6  o 72.15610 13.25409 93.98670       25.44337 86.17027      32.33698 106.6904       41.22498 69.75769 17.30022 74.55450 20.08447 -4.796814      26.50818 
1 1 1 1   31 7  o 48.14897 13.35979 30.33568       24.41342 9.607465      29.31232 77.27517       44.11015 36.32818 15.86072 59.96976 21.50286 -23.64157      26.71957 
1 1 1 1   31 8  o 44.91386 12.86632 30.21897       27.34393 54.03326      33.88602 -14.23184      46.29578 52.83233 18.85704 36.99539 17.50946 15.83694       25.73265 
1 1 1 2   0  0  o 4.926726 3.560802 -4.728798      2.456351 -4.728798     2.456351 0.000000       0.000000 4.926726 3.560802 4.926726 3.560802 -0.000000      0.000000 
1 1 1 2   0  1  o 14.98158 7.152442 4.434921       3.307286 4.434921      3.307286 0.000000       0.000000 14.98158 7.152442 14.98158 7.152442 -0.000000      0.000000 
1 1 1 2   0  2  o 1504.983 31.78781 30594.70       1286.880 0.000000      0.000000 30594.70       1286.880 1504.983 31.78781 1504.983 31.78781 -0.000000      0.000000 
1 1 1 2   0  3  o 2202.382 46.62585 65695.63       2762.252 0.000000      0.000000 65695.63       2762.252 2202.382 46.62585 2202.382 46.62585 -0.000000      0.000000 
1 1 1 2   0  4  o 1189.907 17.80383 19121.81       569.8549 19185.35      808.5576 19059.11       803.2615 1191.867 25.21963 1187.946 25.13714 -0.000000      0.000000 
1 1 1 2   0  5  o 933.5692 14.00425 11758.05       351.4429 11502.96      486.3329 12036.85       508.4341 922.9963 19.58809 944.1420 20.01958 -0.000000      0.000000 
1 1 1 2   0  6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  7  o 916.6243 13.80127 11337.41       340.2883 11348.92      482.1100 11325.97       480.3755 917.0861 19.54330 916.1625 19.49256 -0.000000      0.000000 
1 1 1 2   0  8  o 749.4849 11.37060 7556.150       228.6963 7881.000      337.5940 7280.637       310.9030 764.3181 16.42063 734.6517 15.73294 -0.000000      0.000000 
1 1 1 2   0  9  o 424.3087 6.843797 2428.120       78.09730 2399.986      110.0096 2456.704       110.8881 421.8257 9.696897 426.7917 9.660250 -0.000000      0.000000 
1 1 1 2   0  10 o 19.24596 9.510620 -23.38665      16.83480 -16.90960     27.75937 -27.15464      21.17271 22.08197 15.06190 16.40994 11.61665 -0.000000      0.000000 
1 1 1 2   0  11 o 53.80418 13.37606 55.56067       19.64060 31.48101      31.99472 70.12200       24.88019 40.38079 21.57192 67.22758 15.82175 -0.000000      0.000000 
1 1 1 2   0  12 f 95.70522 10.29986 129.0809       23.09323 139.9091      40.70355 123.9410       28.04361 97.62655 17.03740 93.78390 11.57907 -0.000000      0.000000 
1 1 1 2   0  13 o 439.0408 7.587452 2607.931       89.42894 2586.012      129.9617 2627.643       123.2484 437.2246 11.05491 440.8570 10.39552 -0.000000      0.000000 
1 1 1 2   0  14 o 51.12194 16.40203 54.06212       27.68844 18.11597      51.37916 68.77415       32.86980 40.02138 24.60493 62.22250 21.69572 -0.000000      0.000000 
1 1 1 2   0  15 o 436.8267 7.870373 2547.917       90.74280 2772.870      145.1356 2403.544       116.2710 452.2592 11.93679 421.3941 10.26081 -0.000000      0.000000 
1 1 1 2   0  16 o 534.1343 9.130728 3832.961       129.6681 4061.792      201.2970 3670.665       169.5255 547.4856 13.67394 520.7831 12.10388 -0.000000      0.000000 
1 1 1 2   0  17 o 124.2147 15.50554 205.2642       37.66726 265.9609      86.76263 191.1672       41.81326 131.8845 27.75230 116.5449 13.83827 -0.000000      0.000000 
1 1 1 2   0  18 o 287.2741 8.825585 1101.731       61.53611 1164.013      116.0402 1077.364       72.58242 292.3734 14.82666 282.1749 9.577788 -0.000000      0.000000 
1 1 1 2   0  19 o 49.92287 20.84763 40.01167       43.56573 7.722545      97.42818 48.08142       48.70644 50.20914 32.12140 49.63660 26.58404 -0.000000      0.000000 
1 1 1 2   0  20 o 135.7805 20.75080 315.8455       49.06910 242.0171      110.0160 334.1795       54.82434 116.1376 39.30416 155.4234 13.32542 -0.000000      0.000000 
1 1 1 2   0  21 o 160.4531 17.07711 347.3555       51.84377 421.9391      125.2941 331.9480       56.94750 166.3519 31.17770 154.5544 13.94497 -0.000000      0.000000 
1 1 1 2   0  22 o 78.24384 26.72312 135.3850       72.01878 13.66606      166.6417 163.3409       79.86214 63.03634 40.95961 93.45133 34.33382 -0.000000      0.000000 
1 1 1 2   0  23 o 47.33827 23.57682 -101.4256      96.87813 -462.6067     259.9069 -43.14745      104.4018 50.36829 36.43475 44.30825 29.93282 -0.000000      0.000000 
1 1 1 2   0  24 f 57.07173 28.25358 -32.10212      94.67121 3.777526      279.9369 -36.73565      100.5986 71.55536 48.53178 42.58810 28.94350 -0.000000      0.000000 
1 1 1 2   0  25 o 53.37404 26.10443 2.240610       81.58148 -42.08743     256.7852 7.217185       86.03915 62.52953 43.42775 44.21856 28.97924 -0.000000      0.000000 
1 1 1 2   0  26 o 46.91723 28.46638 47.75702       66.76031 0.000000      0.000000 47.75702       66.76031 46.91723 28.46638 46.91723 28.46638 -0.000000      0.000000 
1 1 1 2   0  27 o 36.38470 24.74731 -0.4282730     73.84193 0.000000      0.000000 -0.4282730     73.84193 36.38470 24.74731 36.38470 24.74731 -0.000000      0.000000 
1 1 1 2   2  0  o 1152.362 24.30635 17920.03       754.2092 0.000000      0.000000 17920.03       754.2092 ?        ?        1152.362 24.30635 ?              ?        
1 1 1 2   2  1  o 1118.959 14.41985 16950.09       412.2541 17101.18      509.4831 16663.58       701.6061 1126.473 16.79677 1111.445 23.44348 15.02832       28.83970 
1 1 1 2   2  2  o 176.1366 2.602002 421.7783       11.72106 431.1146      14.55075 404.5245       19.78054 178.9414 3.019891 173.3318 4.238151 5.609589       5.204005 
1 1 1 2   2  3  o 824.8174 8.721651 9163.500       193.6730 9270.179      276.9405 9061.389       270.9477 829.5119 12.39882 820.1229 12.26939 9.388977       17.44330 
1 1 1 2   2  4  o 250.7857 2.953866 843.9990       19.90918 893.9200      29.27740 801.0566       27.15401 257.6605 4.219891 243.9109 4.134467 13.74966       5.907732 
1 1 1 2   2  5  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2  6  o 1266.839 18.93533 21647.48       645.9182 21647.48      645.9182 0.000000       0.000000 1266.839 18.93533 ?        ?        ?              ?        
1 1 1 2   2  7  o 1060.421 11.24389 15158.49       321.0450 15237.34      456.1263 15081.08       451.9548 1063.151 15.93334 1057.691 15.86912 5.459961       22.48779 
1 1 1 2   2  8  o 512.0898 5.655987 3529.677       77.93944 3477.084      107.9798 3586.881       112.6121 508.1122 7.892228 516.0676 8.103918 -7.955414      11.31197 
1 1 1 2   2  9  o 270.2209 3.691682 980.7336       26.74244 958.1288      35.97905 1008.638       39.97480 266.7520 5.009088 273.6898 5.424307 -6.937836      7.383364 
1 1 1 2   2  10 o 956.4592 10.24366 12331.66       263.7527 12524.91      378.1732 12148.63       368.0387 963.7438 14.57289 949.1745 14.40005 14.56934       20.48733 
1 1 1 2   2  11 o 570.0779 6.381569 4378.186       97.90617 4320.939      135.8867 4439.984       141.1858 566.2123 8.912799 573.9435 9.135630 -7.731262      12.76314 
1 1 1 2   2  12 o 277.1819 4.203729 1035.866       31.34293 1043.888      43.44938 1027.163       45.25706 278.3084 5.797942 276.0554 6.088449 2.253052       8.407457 
1 1 1 2   2  13 o 509.8430 5.983590 3511.330       82.13766 3575.417      116.9419 3448.927       115.3939 514.4380 8.442163 505.2480 8.481936 9.190033       11.96718 
1 1 1 2   2  14 o 354.5272 4.995870 1698.781       47.66071 1741.562      66.79454 1654.405       68.02721 359.1027 6.907786 349.9517 7.219236 9.151062       9.991740 
1 1 1 2   2  15 o 39.67571 11.88685 0.4333131      22.19894 -8.287949     30.98189 9.634599       31.82310 36.62590 16.13914 42.72552 17.45613 -6.099621      23.77369 
1 1 1 2   2  16 o 490.7283 6.155226 3251.029       81.29349 3389.101      116.8574 3121.547       113.1643 500.8238 8.665384 480.6328 8.744047 20.19098       12.31045 
1 1 1 2   2  17 o 334.9120 5.563299 1510.015       50.05579 1457.419      68.09157 1571.860       73.83603 328.6025 7.695539 341.2215 8.036160 -12.61896      11.12660 
1 1 1 2   2  18 o 344.2411 5.782137 1600.439       53.49186 1622.739      73.68314 1575.590       77.78092 346.8056 7.890392 341.6766 8.454238 5.129028       11.56427 
1 1 1 2   2  19 o 335.5504 6.515308 1504.428       57.23370 1453.976      72.31875 1588.993       93.62819 328.2148 8.182940 342.8860 10.14083 -14.67123      13.03062 
1 1 1 2   2  20 o 51.20304 15.00351 11.20469       33.77750 11.91682      45.92410 10.36544       49.85483 50.51824 20.84271 51.88785 21.58709 -1.369614      30.00702 
1 1 1 2   2  21 o 63.18101 16.60287 45.31759       37.50897 48.70163      49.55428 40.77763       57.39711 63.29198 22.78094 63.07004 24.15886 0.2219429      33.20575 
1 1 1 2   2  22 o 92.66621 18.85454 119.4367       53.65397 52.98793      73.10244 197.0321       78.99619 70.44384 27.19197 114.8886 26.12606 -44.44475      37.70907 
1 1 1 2   2  23 o 112.3334 22.79986 187.8062       73.06125 210.5761      97.60050 158.7836       110.1895 119.3586 30.31118 105.3081 34.06709 14.05051       45.59972 
1 1 1 2   2  24 o 57.16769 18.39699 -38.48755      63.84820 15.41927      90.91842 -90.94076      89.68422 64.45872 28.04206 49.87667 23.82101 14.58205       36.79399 
1 1 1 2   2  25 o 69.83571 18.92181 55.55641       54.61953 129.7037      79.87153 -9.576771      74.85925 86.01423 29.04821 53.65719 24.25574 32.35704       37.84362 
1 1 1 2   2  26 o 51.28136 16.37400 6.596073       48.13732 12.57964      66.47733 0.1794117E-04  69.79681 51.91778 23.21232 50.64494 23.10021 1.272839       32.74800 
1 1 1 2   2  27 o 43.35261 14.10235 -0.3969722     39.02899 -33.22754     57.53433 27.58921       53.12020 39.02552 18.75554 47.67969 21.06501 -8.654171      28.20470 
1 1 1 2   4  0  o 417.1636 5.473278 2330.086       57.47117 2306.015      69.64194 2381.477       101.7576 413.8249 6.249867 420.5023 8.987003 -6.677429      10.94656 
1 1 1 2   4  1  o 1631.441 24.38716 35965.93       1070.130 37037.79      1558.100 35008.83       1472.325 1654.300 34.97823 1608.582 33.99203 45.71753       48.77432 
1 1 1 2   4  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   4  3  o 584.9247 7.655403 4565.132       112.0115 4491.056      134.8081 4730.308       201.3044 577.4167 8.670482 592.4326 12.61917 -15.01587      15.31081 
1 1 1 2   4  4  o 1653.069 21.51246 36954.66       899.0576 36755.35      1095.646 37365.51       1573.040 1648.315 24.68576 1657.823 35.23856 -9.507568      43.02491 
1 1 1 2   4  5  o 1297.074 19.41764 22743.38       678.0529 23014.53      970.2852 22484.58       947.9288 1304.596 27.62104 1289.553 27.29940 15.04272       38.83529 
1 1 1 2   4  6  o 1448.475 18.78148 28309.73       690.1754 28253.92      844.4648 28422.00       1197.760 1447.102 21.67201 1449.848 30.68061 -2.745972      37.56296 
1 1 1 2   4  7  o 705.8094 9.228057 6765.057       167.7346 6898.362      209.7742 6528.731       279.3071 715.6110 10.88659 696.0079 14.90337 19.60309       18.45611 
1 1 1 2   4  8  o 566.2200 6.311707 4318.650       96.22426 4376.817      136.0540 4260.436       136.1093 570.0367 8.863906 562.4033 8.987865 7.633484       12.62341 
1 1 1 2   4  9  o 896.4364 9.643437 10830.25       232.7303 10769.15      325.5914 10894.07       332.7872 893.8599 13.52758 899.0129 13.74730 -5.152954      19.28687 
1 1 1 2   4  10 o 266.5642 4.193639 959.2412       30.00867 992.5782      41.31174 922.0012       43.66315 271.4829 5.651290 261.6454 6.197529 9.837524       8.387279 
1 1 1 2   4  11 o 300.6960 4.376406 1210.600       35.06215 1168.543      46.00227 1268.901       54.16159 294.5161 5.800786 306.8759 6.554586 -12.35977      8.752811 
1 1 1 2   4  12 o 265.3798 4.452765 947.8814       31.51158 938.5957      41.66739 960.2881       48.16327 263.8868 5.864018 266.8727 6.702371 -2.985931      8.905531 
1 1 1 2   4  13 o 115.0618 6.795178 178.6220       21.01254 172.2355      28.66206 186.0429       30.89596 112.8536 9.432105 117.2700 9.784333 -4.416451      13.59036 
1 1 1 2   4  14 o 281.8831 5.033865 1066.251       37.79594 1027.696      49.53849 1119.957       58.46743 275.8827 6.668604 287.8835 7.542474 -12.00079      10.06773 
1 1 1 2   4  15 o 147.0986 6.750981 292.6073       26.67269 289.7150      36.37117 295.9727       39.23294 146.3376 9.230347 147.8596 9.854120 -1.522018      13.50196 
1 1 1 2   4  16 o 91.81020 10.97389 116.8540       26.37804 130.9546      37.34102 102.8089       37.26746 98.19862 14.12204 85.42177 16.80099 12.77685       21.94778 
1 1 1 2   4  17 o 107.6630 9.933235 157.5664       28.45162 127.2927      39.43740 190.4250       41.08658 96.79147 15.13170 118.5345 12.87277 -21.74300      19.86647 
1 1 1 2   4  18 o 255.5915 6.024796 886.1786       41.20631 931.9072      56.17755 832.9225       60.62533 262.8070 7.938574 248.3759 9.064862 14.43106       12.04959 
1 1 1 2   4  19 o 93.86792 13.47334 125.3258       33.36578 88.22608      47.47615 161.5332       46.90176 78.84924 21.68475 108.8866 15.99673 -30.03737      26.94669 
1 1 1 2   4  20 o 330.4905 6.269305 1476.279       55.51279 1450.428      74.57535 1508.404       83.13403 327.3397 8.460836 333.6414 9.253701 -6.301758      12.53861 
1 1 1 2   4  21 o 314.7368 7.062236 1346.432       59.68940 1373.232      81.95275 1316.153       87.11022 318.1825 9.565417 311.2911 10.39247 6.891327       14.12447 
1 1 1 2   4  22 o 181.0220 11.29220 456.7286       54.42808 388.8856      78.19022 520.5052       75.81077 167.4508 17.34131 194.5933 14.46837 -27.14252      22.58439 
1 1 1 2   4  23 o 393.3790 14.30896 2109.101       151.5663 2109.101      151.5663 0.000000       0.000000 393.3790 14.30896 ?        ?        ?              ?        
1 1 1 2   4  24 o 118.7071 18.35195 229.7982       59.61925 330.5440      87.30965 141.7819       81.60758 146.8535 22.07977 90.56062 29.31995 56.29288       36.70389 
1 1 1 2   4  25 o 78.43030 17.20597 68.19215       53.81290 -60.02128     73.33646 217.7584       79.20815 45.44205 21.65802 111.4185 26.74157 -65.97650      34.41193 
1 1 1 2   4  26 o 51.81190 16.52848 3.718573       50.29570 46.56853      71.63842 -37.93354      70.63001 58.54939 25.18001 45.07441 21.41797 13.47498       33.05696 
1 1 1 2   4  27 o 46.97460 14.39321 32.59632       33.18166 33.92742      52.49410 31.71057       42.82141 47.85266 21.04975 46.09655 19.63584 1.756107       28.78642 
1 1 1 2   6  0  o 724.9147 7.670809 7077.359       149.6747 6960.694      208.2516 7202.015       215.2667 718.7431 10.76047 731.0863 10.93515 -12.34320      15.34162 
1 1 1 2   6  1  o 945.2980 9.991855 12049.00       254.3275 12081.46      360.7070 12016.90       358.6485 946.5619 14.15214 944.0340 14.10906 2.527893       19.98371 
1 1 1 2   6  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   6  3  o 653.3694 6.933441 5750.390       121.9704 5699.573      171.1458 5802.837       173.8710 650.4380 9.771852 656.3009 9.838767 -5.862915      13.86688 
1 1 1 2   6  4  o 1288.416 13.61066 22384.86       472.0869 22118.58      659.3239 22665.01       676.2619 1280.572 19.12104 1296.261 19.37488 -15.68970      27.22132 
1 1 1 2   6  5  o 1370.698 14.47916 25341.27       534.3265 25587.63      763.4170 25104.69       748.1189 1377.213 20.58626 1364.183 20.36641 13.02942       28.95833 
1 1 1 2   6  6  o 941.1945 12.21900 11920.14       290.9247 11876.67      354.7777 12009.38       508.3114 938.8004 14.03459 943.5885 20.00616 -4.788147      24.43801 
1 1 1 2   6  7  o 954.0253 12.35398 12353.36       301.9136 12531.01      374.7346 12024.73       509.6790 964.1420 14.43443 943.9085 20.05319 20.23346       24.70796 
1 1 1 2   6  8  o 1857.670 22.98796 45727.10       965.2811 44899.54      1094.422 48626.03       2048.349 1823.598 22.28807 1891.742 40.21228 -68.14392      45.97592 
1 1 1 2   6  9  o 767.7644 10.04324 7967.939       196.0595 8007.095      240.8231 7890.974       337.6302 770.7740 11.60346 764.7548 16.39592 6.019226       20.08648 
1 1 1 2   6  10 o 566.4925 7.621088 4252.066       106.7682 4141.222      127.0395 4518.664       197.0201 554.3198 8.511281 578.6652 12.64445 -24.34534      15.24218 
1 1 1 2   6  11 o 135.0892 5.683419 252.2585       20.16775 294.4290      27.37819 202.2266       29.82115 147.7740 6.880553 122.4045 9.047816 25.36958       11.36684 
1 1 1 2   6  12 o 262.8048 5.046212 933.6836       34.95225 939.8264      45.11289 924.4588       55.28323 263.9547 6.347284 261.6549 7.846592 2.299713       10.09242 
1 1 1 2   6  13 o 129.7289 6.935126 227.2883       24.10956 221.8025      32.37570 234.1177       36.12346 128.0079 9.392881 131.4499 10.20577 -3.441971      13.87025 
1 1 1 2   6  14 f 171.2649 5.815020 395.8105       26.44534 391.7209      34.55627 401.5910       41.08376 170.2594 7.537589 172.2704 8.856782 -2.011047      11.63004 
1 1 1 2   6  15 o 492.6719 7.176892 3288.451       91.25548 3296.856      113.9439 3273.418       152.3911 493.9223 8.567403 491.4215 11.51654 2.500763       14.35378 
1 1 1 2   6  16 o 144.2680 7.741983 281.4850       30.06456 292.0048      43.02275 271.4450       42.03003 146.9057 10.87617 141.6302 11.02098 5.275528       15.48397 
1 1 1 2   6  17 o 524.9818 7.679607 3701.643       103.4186 3647.133      127.6444 3805.794       176.4394 519.7131 9.121260 530.2505 12.35751 -10.53735      15.35921 
1 1 1 2   6  18 o 130.8810 9.768703 232.0316       34.39161 228.2782      47.41962 236.1969       49.95340 129.7810 13.56949 131.9809 14.05629 -2.199844      19.53741 
1 1 1 2   6  19 o 701.1798 9.850938 6617.010       174.6690 6463.227      212.0607 6941.468       308.0242 690.0530 11.41286 712.3065 16.05960 -22.25348      19.70188 
1 1 1 2   6  20 o 104.6494 13.57327 153.7603       37.42165 140.1163      51.43967 169.0989       54.54079 98.74664 20.03104 110.5522 18.32190 -11.80560      27.14654 
1 1 1 2   6  21 o 181.6168 11.13175 455.0352       54.39928 445.8634      77.88966 463.7695       76.00922 179.7327 16.09420 183.5010 15.38312 -3.768295      22.26351 
1 1 1 2   6  22 o 149.2323 15.22160 331.2864       60.69258 364.1237      93.08400 307.0025       80.04801 155.0252 22.29921 143.4393 20.72521 11.58583       30.44320 
1 1 1 2   6  23 o 271.8006 12.62525 1083.241       91.54073 1030.281      136.6237 1126.385       123.3134 264.0777 19.21370 279.5235 16.38356 -15.44586      25.25049 
1 1 1 2   6  24 o 77.28736 18.45396 70.98048       60.95334 -84.41508     91.84555 193.2912       81.48375 49.57590 23.79167 104.9988 28.21614 -55.42292      36.90792 
1 1 1 2   6  25 o 68.19194 19.21220 73.46548       53.54292 99.76006      77.89023 49.90878       73.72369 74.20286 28.20986 62.18102 26.08906 12.02184       38.42441 
1 1 1 2   6  26 o 43.63021 14.69848 -40.79219      48.40322 -5.596484     67.60915 -77.80043      69.32819 47.57630 22.07238 39.68411 19.41627 7.892189       29.39697 
1 1 1 2   6  27 o 41.16709 13.80388 -6.018044      38.08324 -13.17087     46.09905 9.355610       67.58369 37.18493 17.56025 45.14925 21.30319 -7.964317      27.60776 
1 1 1 2   8  0  o 688.1965 7.298195 6377.241       135.1928 6480.041      194.3641 6280.891       188.1693 693.5636 10.40750 682.8293 10.23419 10.73425       14.59639 
1 1 1 2   8  1  o 512.7620 5.480595 3538.392       75.62690 3610.813      109.2040 3471.650       104.8349 517.7985 7.832390 507.7255 7.668204 10.07303       10.96119 
1 1 1 2   8  2  o 726.5997 7.699642 7111.720       150.6427 7097.953      212.7399 7125.566       213.3432 725.8946 10.88409 727.3049 10.89379 -1.410278      15.39928 
1 1 1 2   8  3  o 534.3448 5.716529 3844.319       82.23248 3893.692      117.7811 3797.363       114.8624 537.6901 8.135047 530.9995 8.033420 6.690613       11.43306 
1 1 1 2   8  4  o 842.0501 8.925196 9503.147       201.5093 10077.65      302.1631 9042.996       270.4253 864.8313 12.97558 819.2689 12.25850 45.56238       17.85039 
1 1 1 2   8  5  o 1486.764 15.71931 29840.95       629.2144 29516.55      880.9685 30178.76       898.9922 1478.537 22.12814 1494.991 22.33233 -16.45374      31.43863 
1 1 1 2   8  6  o 1074.880 11.37466 15532.31       328.5065 14959.87      447.2156 16203.16       484.1343 1053.457 15.76583 1096.303 16.40031 -42.84570      22.74932 
1 1 1 2   8  7  o 200.4454 2.701753 541.0406       14.58075 548.3207      20.57841 533.7009       20.66242 201.7998 3.787109 199.0910 3.854306 2.708771       5.403505 
1 1 1 2   8  8  o 277.7116 3.337782 1038.401       24.95735 1049.041      35.58018 1028.096       35.01661 279.1117 4.734202 276.3116 4.706430 2.800110       6.675564 
1 1 1 2   8  9  o 873.6376 11.43306 10308.81       252.9741 10294.83      309.0713 10337.17       440.3301 873.3184 13.14325 873.9567 18.71135 -0.6383057     22.86612 
1 1 1 2   8  10 o 563.4805 7.583389 4259.638       106.8394 4209.659      128.6869 4370.504       191.6658 558.5543 8.556293 568.4067 12.52282 -9.852417      15.16678 
1 1 1 2   8  11 o 204.6724 4.252817 561.5588       20.12650 558.3986      23.11433 571.4673       40.92842 203.5735 4.216739 205.7713 7.386807 -2.197800      8.505633 
1 1 1 2   8  12 o 146.8645 5.059824 291.0130       16.35392 290.8531      18.42247 291.6076       35.52178 146.8910 4.657675 146.8381 8.984059 0.5293274E-01  10.11965 
1 1 1 2   8  13 o 271.1836 4.903724 1013.503       32.82372 1046.598      39.58701 940.6964       58.71647 278.5793 5.277407 263.7879 8.266500 14.79132       9.807448 
1 1 1 2   8  14 o 60.21202 11.62081 53.23574       17.45037 57.19455      19.63840 38.38060       38.04192 63.94666 11.84135 56.47738 19.99889 7.469288       23.24162 
1 1 1 2   8  15 o 183.4129 5.834861 429.7038       23.45500 413.2773      26.15506 497.1678       53.00530 175.0895 5.547688 191.7362 10.26672 -16.64665      11.66972 
1 1 1 2   8  16 o 179.7979 6.246956 468.1640       25.72782 502.1664      30.07721 375.4354       49.66949 193.0030 5.787489 166.5928 11.07261 26.41020       12.49391 
1 1 1 2   8  17 o 498.2625 6.854453 3395.061       82.22158 3448.314      97.04579 3259.591       154.7840 505.6442 7.127681 490.8809 11.71026 14.76334       13.70891 
1 1 1 2   8  18 o 302.2789 5.712152 1253.736       41.41581 1278.840      48.82933 1189.373       78.18491 307.9630 5.888421 296.5947 9.789852 11.36829       11.42430 
1 1 1 2   8  19 o 224.2780 6.135529 706.9634       33.48452 746.4621      40.25781 618.2979       60.31649 235.1169 6.358915 213.4392 10.49491 21.67770       12.27106 
1 1 1 2   8  20 o 64.57890 11.76502 68.09405       26.89814 104.4029      30.48631 -59.48799      57.14697 87.45910 12.94543 41.69869 19.64890 45.76041       23.53005 
1 1 1 2   8  21 o 218.9079 7.855075 630.2715       40.23109 607.7734      46.17985 701.1112       81.94395 211.7442 8.099488 226.0715 13.46132 -14.32733      15.71015 
1 1 1 2   8  22 o 75.05442 21.41130 22.13711       72.58017 -65.64334     107.0407 96.84309       98.74785 61.77702 28.33865 88.33182 32.10447 -26.55480      42.82261 
1 1 1 2   8  23 o 76.07927 17.09025 91.43353       37.08727 100.6156      41.58074 55.70544       82.02135 81.84504 19.19911 70.31351 28.27897 11.53153       34.18049 
1 1 1 2   8  24 o 57.48292 15.88065 41.48828       32.71840 47.87695      36.90604 18.03178       70.71701 57.42576 19.74103 57.54008 24.88115 -0.1143188     31.76130 
1 1 1 2   8  25 f 181.4012 9.898088 512.3310       38.02111 534.4095      43.06127 434.2315       80.98903 196.0521 8.157029 166.7502 18.03750 29.30183       19.79618 
1 1 1 2   8  26 o 52.64252 14.53027 48.93882       33.01147 67.94256      36.62973 -33.24813      76.17555 60.82505 19.63817 44.46000 21.42096 16.36505       29.06054 
1 1 1 2   10 0  o 487.9743 5.249982 3204.745       68.94588 3264.118      99.45738 3149.817       95.66173 492.3214 7.502482 483.6273 7.345883 8.694092       10.49996 
1 1 1 2   10 1  f 899.7075 9.523866 10894.43       230.4964 11197.39      335.1024 10622.38       317.5479 911.5535 13.65249 887.8616 13.28253 23.69183       19.04773 
1 1 1 2   10 2  o 313.9425 5.044415 1327.155       42.64267 1327.155      42.64267 0.000000       0.000000 313.9425 5.044415 ?        ?        ?              ?        
1 1 1 2   10 3  o 261.5043 3.068683 917.4057       21.55798 873.2082      29.29408 969.6192       31.83998 254.6595 4.272052 268.3491 4.406454 -13.68962      6.137367 
1 1 1 2   10 4  o 513.4960 5.527455 3550.371       76.41479 3590.045      109.2429 3512.361       106.9280 516.3035 7.857866 510.6884 7.775923 5.615051       11.05491 
1 1 1 2   10 5  o 357.5630 5.591589 1721.653       53.83580 0.000000      0.000000 1721.653       53.83580 ?        ?        357.5630 5.591589 ?              ?        
1 1 1 2   10 6  o 503.6894 5.442618 3414.970       73.76862 3478.197      106.6237 3356.917       102.1680 508.1555 7.792445 499.2233 7.600407 8.932190       10.88524 
1 1 1 2   10 7  o 797.8010 11.99018 8583.780       257.5750 0.000000      0.000000 8583.780       257.5750 ?        ?        797.8010 11.99018 ?              ?        
1 1 1 2   10 8  o 404.7616 4.495342 2188.350       48.68513 2046.961      64.60047 2374.223       74.06904 389.7710 6.155209 419.7521 6.553306 -29.98114      8.990685 
1 1 1 2   10 9  f 110.1306 3.186841 163.5724       9.405816 165.2671      12.73477 161.5381       13.95209 110.7625 4.269871 109.4987 4.732022 1.263840       6.373683 
1 1 1 2   10 10 o 221.5977 3.152607 659.7652       18.75442 637.6635      25.38674 686.3188       27.82634 217.5304 4.334146 225.6649 4.579400 -8.134476      6.305214 
1 1 1 2   10 11 o 191.4889 4.381363 501.8476       19.43237 508.8518      22.44794 480.9049       38.81620 194.3051 4.290510 188.6727 7.640479 5.632370       8.762727 
1 1 1 2   10 12 o 206.1745 4.739507 587.1004       24.89705 618.3638      31.06657 530.9732       41.62577 214.1231 5.388234 198.2260 7.798631 15.89711       9.479013 
1 1 1 2   10 13 o 421.7204 6.236540 2343.931       64.17080 2266.009      75.50423 2546.632       121.7779 409.7542 6.843284 433.6866 10.42819 -23.93243      12.47308 
1 1 1 2   10 14 o 172.1779 5.466341 386.6424       20.22264 378.1299      22.47571 422.8290       46.34021 167.4988 4.983315 176.8570 9.730885 -9.358200      10.93268 
1 1 1 2   10 15 o 249.7578 5.179855 864.2789       30.54824 890.3895      35.79467 794.2739       58.61046 257.0254 5.172006 242.4903 8.976299 14.53503       10.35971 
1 1 1 2   10 16 f 133.4521 7.205482 258.0220       20.91183 271.9395      23.81579 211.1646       43.69924 142.0272 6.227448 124.8770 12.99595 17.15021       14.41096 
1 1 1 2   10 17 o 367.2308 5.985990 1839.664       55.06808 1874.166      66.95233 1767.512       96.81964 372.7941 6.669807 361.6674 9.941931 11.12674       11.97198 
1 1 1 2   10 18 o 160.0162 6.709009 335.6333       24.44691 326.3722      27.74528 367.7850       51.69644 155.4760 6.627388 164.5564 11.66709 -9.080475      13.41802 
1 1 1 2   10 19 o 135.2972 8.770601 241.3899       26.22053 235.4015      29.42793 264.4569       57.75620 131.8447 8.289217 138.7497 15.45906 -6.904953      17.54120 
1 1 1 2   10 20 o 81.83591 14.70041 109.9181       31.39583 127.5871      35.53139 46.99364       67.05261 96.40878 13.68712 67.26303 26.02059 29.14575       29.40083 
1 1 1 2   10 21 o 131.0990 13.65817 256.9952       38.47674 243.5482      43.33825 307.0471       83.61179 129.7206 12.40735 132.4774 24.33598 -2.756775      27.31634 
1 1 1 2   10 22 o 50.24615 16.17476 -37.74324      40.15519 -68.58868     45.63712 68.00980       84.50240 32.71470 15.95139 67.77761 28.14329 -35.06291      32.34952 
1 1 1 2   10 23 o 95.09790 16.52633 125.8126       35.85162 107.8806      40.18019 195.8460       79.40560 83.78956 18.31971 106.4062 27.51122 -22.61668      33.05267 
1 1 1 2   10 24 o 120.0537 12.33454 195.6346       34.30315 174.3807      38.81994 271.3567       73.27346 109.8170 13.12810 130.2904 20.88579 -20.47336      24.66908 
1 1 1 2   10 25 o 119.0291 15.20342 279.9124       35.73182 304.2705      40.11520 186.3707       78.61226 145.6235 10.23044 92.43470 28.63414 53.18882       30.40684 
1 1 1 2   10 26 f 88.84703 16.05630 156.6777       34.35157 146.5479      38.56904 195.5462       75.55003 93.82679 15.26612 83.86726 28.25180 9.959526       32.11259 
1 1 1 2   12 0  o 1609.178 17.01297 34990.89       737.1691 34961.54      1041.519 35020.36       1043.513 1608.505 24.04703 1609.852 24.07291 -1.346313      34.02594 
1 1 1 2   12 1  o 381.4276 4.231867 1958.247       43.44558 1990.590      62.53316 1928.068       60.40476 384.4697 6.040388 378.3854 5.928618 6.084351       8.463735 
1 1 1 2   12 2  o 1716.215 18.16722 39825.61       839.2548 40463.55      1206.083 39226.73       1168.577 1729.469 25.89888 1702.961 25.48409 26.50720       36.33443 
1 1 1 2   12 3  o 542.2016 5.835788 3955.504       85.11780 4061.392      123.6964 3860.273       117.3070 549.0814 8.366371 535.3218 8.138151 13.75952       11.67158 
1 1 1 2   12 4  o 645.8248 6.904234 5618.176       120.0173 5713.843      172.6583 5528.735       166.9461 651.1365 9.847637 640.5131 9.679765 10.62341       13.80847 
1 1 1 2   12 5  o 401.8174 4.450316 2170.984       48.08426 2248.131      70.27235 2103.062       65.93729 408.5142 6.388427 395.1207 6.197520 13.39346       8.900633 
1 1 1 2   12 6  o 69.41064 4.424716 66.68891       8.045607 54.07362      12.07613 76.75795       10.78880 63.33876 7.080677 75.48253 5.308152 -12.14376      8.849433 
1 1 1 2   12 7  o 633.3994 6.813737 5416.571       116.2006 5446.624      165.6084 5387.428       163.0857 635.1208 9.683727 631.6780 9.588195 3.442749       13.62747 
1 1 1 2   12 8  o 230.7955 3.151891 719.0880       19.51345 701.5262      28.67896 734.2271       26.62746 228.1569 4.668168 233.4341 4.236256 -5.277161      6.303781 
1 1 1 2   12 9  o 265.3864 3.343906 948.9778       23.87247 957.0323      34.59314 941.6545       32.98572 266.4550 4.821506 264.3178 4.634642 2.137238       6.687811 
1 1 1 2   12 10 o 76.14493 4.767951 79.42236       9.632670 91.10633      13.28331 66.46322       13.98941 82.16044 6.004270 70.12943 7.408249 12.03101       9.535901 
1 1 1 2   12 11 o 169.9628 3.185986 389.4277       14.52012 389.0843      19.65458 389.8404       21.54440 169.8911 4.296451 170.0346 4.705585 -0.1435699     6.371971 
1 1 1 2   12 12 o 53.72158 8.205247 41.81616       11.38633 47.41446      14.37756 32.39804       18.64828 59.22081 9.016280 48.22235 13.71171 10.99846       16.41049 
1 1 1 2   12 13 o 249.4666 3.680474 840.7984       24.64820 869.8039      33.93728 808.4175       35.85757 254.0437 4.961182 244.8895 5.437850 9.154190       7.360947 
1 1 1 2   12 14 o 96.69568 7.786695 118.7233       15.10944 115.1001      16.43873 138.4470       38.35472 92.38174 6.608437 101.0096 14.10174 -8.627892      15.57339 
1 1 1 2   12 15 f 150.7579 6.453538 345.9073       20.51620 376.2441      23.38293 244.4412       42.76358 167.0926 5.197067 134.4232 11.81453 32.66942       12.90708 
1 1 1 2   12 16 o 209.0726 5.618870 586.5635       26.31046 583.9282      29.80834 595.8567       55.97705 208.1499 5.318364 209.9953 9.899586 -1.845383      11.23774 
1 1 1 2   12 17 o 43.94760 12.57405 9.650438       18.32792 6.336008      20.19155 25.15988       43.67805 34.27478 13.94278 53.62042 20.92906 -19.34565      25.14809 
1 1 1 2   12 18 o 125.4708 8.856450 231.8024       23.32858 243.6991      26.26694 187.3745       50.76031 134.2422 7.266698 116.6995 16.15370 17.54267       17.71290 
1 1 1 2   12 19 o 179.8102 11.07285 432.5143       52.80006 545.5553      83.10234 355.9896       68.37485 198.9673 15.51130 160.6532 15.80606 38.31419       22.14570 
1 1 1 2   12 20 o 238.3726 8.085628 800.1895       45.34764 822.9182      53.07517 738.7358       87.27262 246.0078 8.012338 230.7374 14.04678 15.27036       16.17126 
1 1 1 2   12 21 o 113.0027 17.36746 156.3066       43.85673 132.2245      49.09768 251.3861       97.55670 95.94621 19.66488 130.0591 28.63228 -34.11294      34.73492 
1 1 1 2   12 22 o 150.5489 13.23827 386.4331       34.54462 410.0997      37.90200 270.3210       83.95232 172.7512 8.148125 128.3465 25.19156 44.40469       26.47653 
1 1 1 2   12 23 o 144.1435 14.53814 398.1629       34.23838 433.9530      37.53372 220.7715       83.56158 177.4759 7.854143 110.8111 27.99541 66.66479       29.07629 
1 1 1 2   12 24 o 45.31964 14.52222 4.331582       29.91153 3.501556      32.84069 8.371728       72.45444 38.44150 16.78565 52.19779 23.70277 -13.75629      29.04444 
1 1 1 2   12 25 o 77.04174 13.81487 134.5110       31.21798 152.0905      34.57745 57.00289       72.60459 99.22709 12.94134 54.85639 24.41155 44.37070       27.62973 
1 1 1 2   14 0  o 178.4277 2.924626 428.7750       14.04943 437.5751      19.89701 420.0246       19.84090 180.2541 4.099389 176.6013 4.172382 3.652802       5.849253 
1 1 1 2   14 1  o 306.8557 3.628848 1266.581       29.95339 1306.706      43.56834 1230.616       41.24783 311.4559 5.195066 302.2556 5.068079 9.200287       7.257695 
1 1 1 2   14 2  f 426.6576 4.722807 2452.777       54.24370 2478.668      77.76273 2428.240       75.70308 428.8463 6.734206 424.4689 6.623451 4.377472       9.445614 
1 1 1 2   14 3  o 156.3502 3.028893 329.4890       12.74202 315.4128      18.04842 343.4768       17.99158 153.0170 4.380424 159.6833 4.184335 -6.666306      6.057786 
1 1 1 2   14 4  f 165.0772 2.917682 367.1645       12.95688 346.9384      18.23566 387.7864       18.41323 160.4828 4.219972 169.6716 4.030301 -9.188812      5.835365 
1 1 1 2   14 5  o 256.0535 3.310296 880.9352       22.77093 848.2033      30.96434 919.4838       33.60318 250.8936 4.583412 261.2135 4.777507 -10.31998      6.620593 
1 1 1 2   14 6  o 34.19014 8.608681 13.21117       9.997987 10.18233      13.50985 16.87852       14.86579 31.61162 11.80689 36.76866 12.53135 -5.157043      17.21736 
1 1 1 2   14 7  o 285.6859 3.553303 1098.359       27.29397 1135.598      39.92120 1065.673       37.40096 290.2179 5.108530 281.1539 4.940322 9.064026       7.106607 
1 1 1 2   14 8  f 214.6511 3.253665 621.1293       18.66496 621.9643      28.18037 620.4768       24.91304 214.7608 4.873133 214.5414 4.312531 0.2193756      6.507330 
1 1 1 2   14 9  f 265.2975 3.533528 950.5544       25.20411 909.6852      36.09863 989.4277       35.20612 259.7107 5.161994 270.8843 4.826705 -11.17365      7.067055 
1 1 1 2   14 10 o 188.2186 3.436998 479.4146       17.12052 467.1086      26.62382 488.0912       22.35574 186.1286 5.312193 190.3087 4.362617 -4.180054      6.873996 
1 1 1 2   14 11 o 78.19810 6.019575 77.42250       12.08298 121.7264      19.77147 51.01188       15.26537 94.95881 7.732506 61.43740 9.227648 33.52141       12.03915 
1 1 1 2   14 12 o 278.4973 3.717264 1044.654       27.86491 1082.288      40.02463 1009.258       38.81697 283.3615 5.245695 273.6330 5.268292 9.728577       7.434529 
1 1 1 2   14 13 o 180.4241 3.608532 439.6276       17.48274 454.3824      24.10405 423.2498       25.39509 183.6325 4.874802 177.2156 5.321872 6.416962       7.217064 
1 1 1 2   14 14 o 60.09707 9.210691 49.46734       14.02437 45.92938      17.47835 55.86250       23.49902 57.23470 11.73515 62.95943 14.19977 -5.724728      18.42138 
1 1 1 2   14 15 o 418.8528 4.964319 2366.108       55.97847 2429.956      79.93135 2304.650       78.42127 424.3997 6.994533 413.3060 7.046586 11.09369       9.928638 
1 1 1 2   14 16 o 222.9654 5.622410 683.9695       28.19241 694.0185      32.15534 650.5724       58.62014 226.8327 5.264583 219.0981 9.936305 7.734650       11.24482 
1 1 1 2   14 17 o 181.2161 6.555847 456.6493       24.72308 463.4753      27.46552 427.4979       56.75887 185.3013 5.504601 177.1309 11.90025 8.170425       13.11169 
1 1 1 2   14 18 o 45.50588 13.95111 -53.17086      24.47425 -72.16682     26.50278 56.86248       63.78563 21.73723 10.86934 69.27453 25.69808 -47.53730      27.90222 
1 1 1 2   14 19 o 141.4395 10.77535 294.1464       30.14874 302.4610      33.23184 255.4712       71.67234 149.1079 8.276947 133.7710 19.89785 15.33691       21.55069 
1 1 1 2   14 20 o 63.44000 20.36715 -52.12188      76.06183 -135.4226     128.2454 -6.919112      94.47129 61.28020 29.04330 65.59980 28.56168 -4.319599      40.73430 
1 1 1 2   14 21 o 136.1900 11.87021 260.6189       31.62668 256.4895      34.44037 282.8385       79.88977 136.3323 9.381788 136.0478 21.80802 0.2845001      23.74043 
1 1 1 2   14 22 o 68.38052 16.89442 54.88976       29.07140 44.61230      31.40650 116.3957       76.83073 54.98241 18.20990 81.77864 28.46199 -26.79623      33.78883 
1 1 1 2   14 23 o 69.65810 16.24180 58.06643       27.41768 42.22587      29.73336 148.0429       70.86359 52.26900 17.72298 87.04719 27.22278 -34.77818      32.48359 
1 1 1 2   14 24 o 38.57895 13.21948 -39.08595      30.37948 -54.16116     33.92379 21.96021       68.26559 27.13766 13.33973 50.02024 22.82696 -22.88258      26.43896 
1 1 1 2   16 0  o 33.83464 8.848345 12.05919       10.69415 13.40535      15.01551 10.67347       15.23448 34.59413 12.52735 33.07515 12.49953 1.518974       17.69669 
1 1 1 2   16 1  o 733.8463 7.892712 7291.310       155.8964 7418.363      224.3727 7172.726       216.7658 739.9840 11.26067 727.7087 11.06241 12.27533       15.78542 
1 1 1 2   16 2  o 468.9998 5.188762 2968.555       65.51096 3011.363      93.90973 2927.975       91.43290 472.2842 7.384546 465.7154 7.291191 6.568787       10.37752 
1 1 1 2   16 3  o 372.2242 4.287053 1869.038       42.96663 1873.379      61.05380 1864.778       60.47828 372.6498 6.084548 371.7987 6.040990 0.8511658      8.574106 
1 1 1 2   16 4  o 198.0226 3.281286 527.8197       17.46971 543.0430      25.55013 514.4543       23.94018 200.6947 4.727960 195.3505 4.551237 5.344193       6.562573 
1 1 1 2   16 5  o 202.2012 3.247925 550.0155       17.61635 564.5344      26.22310 538.0739       23.78198 204.6173 4.759467 199.7850 4.420809 4.832321       6.495851 
1 1 1 2   16 6  o 34.81313 9.125047 12.22789       11.53519 7.172665      16.19569 17.43256       16.43335 31.79618 12.64089 37.83007 13.16335 -6.033888      18.25009 
1 1 1 2   16 7  o 301.0639 3.794032 1221.506       30.74372 1263.094      44.24322 1182.675       42.75150 306.0145 5.369346 296.1133 5.361794 9.901184       7.588064 
1 1 1 2   16 8  o 495.2692 5.502795 3312.315       73.37702 3338.192      104.6997 3287.336       102.8661 497.1624 7.821028 493.3761 7.743031 3.786255       11.00559 
1 1 1 2   16 9  o 445.2970 5.028542 2672.381       60.21534 2734.555      87.81573 2617.204       82.72663 450.1611 7.244709 440.4329 6.975610 9.728210       10.05708 
1 1 1 2   16 10 f 59.96204 8.333104 49.22553       12.42738 50.90960      21.80170 48.41497       15.12524 60.06858 13.77288 59.85550 9.384580 0.2130890      16.66621 
1 1 1 2   16 11 o 574.8204 8.894207 4461.553       137.6648 0.000000      0.000000 4461.553       137.6648 ?        ?        574.8204 8.894207 ?              ?        
1 1 1 2   16 12 o 174.5750 4.112655 411.0547       18.78337 409.6743      30.37530 411.9093       23.90100 174.3134 6.471520 174.8365 5.076923 -0.5230865     8.225310 
1 1 1 2   16 13 o 546.4576 6.092022 4031.301       89.63818 4007.467      126.8700 4055.058       126.6653 544.8393 8.647827 548.0760 8.582891 -3.236755      12.18404 
1 1 1 2   16 14 o 50.10303 10.63836 34.60844       15.49569 34.84359      22.33427 34.39018       21.51700 50.31479 15.20158 49.89127 14.88659 0.4235153      21.27672 
1 1 1 2   16 15 o 202.3495 4.067520 550.6991       22.11971 520.6193      30.16637 585.6801       32.53131 196.3986 5.704285 208.3004 5.800001 -11.90176      8.135040 
1 1 1 2   16 16 f 117.1296 6.017070 183.9963       18.79076 173.6632      24.62731 198.3940       29.07019 113.2673 8.074752 120.9919 8.922944 -7.724632      12.03414 
1 1 1 2   16 17 o 154.3161 11.87438 442.2215       31.30750 510.6051      35.31751 191.3419       67.64674 194.2758 6.751308 114.3564 22.76892 79.91945       23.74877 
1 1 1 2   16 18 o 137.6380 10.54848 204.0281       31.71835 156.6953      34.64970 448.7962       78.79455 104.1797 12.35188 171.0963 17.10300 -66.91661      21.09696 
1 1 1 2   16 19 o 157.5725 11.86672 335.0184       41.14589 326.3753      46.15885 368.4528       90.78529 154.4188 11.10124 160.7263 20.97709 -6.307510      23.73343 
1 1 1 2   16 20 o 145.4388 10.07090 259.1130       29.29611 239.6864      31.65423 375.1183       77.35198 131.8111 8.918593 159.0666 18.05964 -27.25548      20.14180 
1 1 1 2   16 21 o 122.2573 13.64263 254.4392       28.17672 265.1865      30.49666 191.7545       73.65195 138.7434 8.163128 105.7712 26.03553 32.97221       27.28526 
1 1 1 2   16 22 o 87.89270 14.67390 143.1414       27.43313 149.8980      29.65360 103.0270       72.25411 102.5677 10.73702 73.21774 27.31318 29.34991       29.34780 
1 1 1 2   16 23 o 104.8860 14.50958 227.2131       29.78036 243.4908      32.75514 149.6113       71.51852 130.1914 9.343590 79.58060 27.47378 50.61080       29.01916 
1 1 1 2   18 0  o 104.8884 4.658072 148.1171       13.12251 142.8209      17.81700 154.3962       19.39996 102.8522 6.433356 106.9246 6.738137 -4.072350      9.316145 
1 1 1 2   18 1  o 247.0651 3.557220 823.5096       23.65714 838.2049      33.23806 808.4220       33.67880 249.3064 4.951296 244.8239 5.108807 4.482513       7.114439 
1 1 1 2   18 2  f 114.0988 4.585251 175.3045       13.96594 172.4201      18.50227 179.1242       21.29189 113.0297 6.079236 115.1679 6.865931 -2.138168      9.170503 
1 1 1 2   18 3  o 276.8693 3.675056 1033.184       27.39264 1059.145      39.18283 1008.366       38.31000 280.2703 5.192008 273.4684 5.202615 6.801941       7.350112 
1 1 1 2   18 4  o 245.4529 3.525400 809.7704       23.25419 849.1301      34.22353 776.0126       31.69466 250.9724 5.064255 239.9333 4.905825 11.03900       7.050801 
1 1 1 2   18 5  o 398.4362 4.616137 2141.625       49.52232 2118.487      69.64909 2165.283       70.42766 396.2599 6.527576 400.6125 6.528831 -4.352570      9.232274 
1 1 1 2   18 6  o 268.1020 3.710940 968.8404       26.78871 980.4581      38.00512 957.3687       37.76593 269.7001 5.233323 266.5038 5.262758 3.196350       7.421879 
1 1 1 2   18 7  f 255.2188 3.732510 878.1449       25.64357 885.7662      35.94227 870.2432       36.59757 256.3509 5.206997 254.0866 5.349178 2.264236       7.465021 
1 1 1 2   18 8  o 342.5434 4.284658 1581.865       39.51642 1610.425      56.24088 1554.019       55.53512 345.5979 6.043627 339.4889 6.075174 6.108978       8.569316 
1 1 1 2   18 9  o 97.66740 7.928440 128.7080       20.85071 128.7080      20.85071 0.000000       0.000000 97.66740 7.928440 ?        ?        ?              ?        
1 1 1 2   18 10 o 268.6717 5.535171 972.8788       40.04390 972.8788      40.04390 0.000000       0.000000 268.6717 5.535171 ?        ?        ?              ?        
1 1 1 2   18 11 o 296.2494 4.033380 1182.169       32.04440 1192.006      47.59367 1174.012       43.33970 297.3609 5.944042 295.1379 5.453528 2.223022       8.066759 
1 1 1 2   18 12 o 219.3238 3.997435 646.9150       23.00173 657.6611      37.09677 640.2032       29.31783 220.7518 6.240917 217.8957 4.996889 2.856110       7.994870 
1 1 1 2   18 13 o 311.5996 4.256451 1309.774       35.61990 1322.961      52.41849 1298.461       48.55172 313.0280 6.218963 310.1712 5.813261 2.856750       8.512902 
1 1 1 2   18 14 o 289.7801 4.267779 1124.648       32.92612 1194.696      51.13012 1075.018       43.03770 297.3718 6.385481 282.1883 5.664043 15.18350       8.535558 
1 1 1 2   18 15 o ?        ?        -134.6334      20.15742 -139.1344     31.19749 -131.4077      26.41058 ?        ?        ?        ?        ?              ?        
1 1 1 2   18 16 o 84.37878 10.65043 100.3576       23.45124 83.34446      33.19157 117.3165       33.13862 76.22620 16.63816 92.53135 13.30032 -16.30515      21.30087 
1 1 1 2   18 17 o 173.0052 7.624731 420.3325       34.26416 491.6472      45.67166 328.5145       51.82282 190.5940 8.899265 155.4164 12.38342 35.17757       15.24946 
1 1 1 2   18 18 f 78.19870 12.42778 92.19612       24.92759 85.29987      31.50886 103.7334       40.75475 75.03406 16.07887 81.36335 18.95440 -6.329292      24.85557 
1 1 1 2   18 19 o 228.1349 7.607138 784.7737       38.39778 840.1068      44.34621 619.0223       76.75261 248.0423 6.639685 208.2274 13.68900 39.81485       15.21428 
1 1 1 2   18 20 o 57.90906 14.94606 48.07695       25.91000 48.92551      28.42155 43.90228       63.04032 56.34676 17.17645 59.47137 24.46442 -3.124611      29.89211 
1 1 1 2   18 21 o 106.5497 14.03253 242.8438       29.84009 275.6647      33.18640 104.2762       68.18922 140.1696 8.792711 72.92974 26.65214 67.23991       28.06507 
1 1 1 2   18 22 o 48.85104 14.26333 36.99721       28.62894 43.24002      31.70925 9.467232       66.58837 50.29821 18.20610 47.40387 21.96151 2.894333       28.52666 
1 1 1 2   20 0  o 217.3488 3.747595 636.9507       21.91633 667.9199      31.08939 606.3571       30.90023 222.6075 5.186674 212.0900 5.410757 10.51752       7.495191 
1 1 1 2   20 1  f 629.4348 6.876857 5353.220       116.5176 5276.343      162.3799 5434.818       167.2912 624.7971 9.651838 634.0726 9.798299 -9.275574      13.75371 
1 1 1 2   20 2  o 217.6808 3.799148 639.1584       22.23854 679.7427      31.53624 599.0148       31.36456 224.5664 5.215328 210.7951 5.525800 13.77130       7.598297 
1 1 1 2   20 3  o 535.7733 5.960151 3870.632       85.88564 3766.007      118.0946 3988.099       125.1320 528.1224 8.304470 543.4243 8.551571 -15.30188      11.92030 
1 1 1 2   20 4  o 114.7686 5.122575 177.4684       15.81990 169.7576      21.93389 185.8287       22.83899 112.1732 7.261782 117.3640 7.227007 -5.190857      10.24515 
1 1 1 2   20 5  o 418.4645 4.874018 2360.882       54.90969 2324.499      76.75616 2399.018       78.58415 415.1662 6.866064 421.7629 6.919636 -6.596710      9.748035 
1 1 1 2   20 6  o 510.2139 5.713926 3510.859       78.46965 3571.468      112.8836 3454.188       109.1560 514.4631 8.148789 505.9648 8.012054 8.498383       11.42785 
1 1 1 2   20 7  o 585.0935 6.459433 4622.055       101.7615 4659.642      144.7588 4585.334       143.0808 587.4418 9.151591 582.7452 9.118415 4.696655       12.91887 
1 1 1 2   20 8  o 102.3208 6.203740 141.2794       16.91285 140.8640      22.34288 141.8368       25.88233 102.1651 8.121812 102.4764 9.379858 -0.3112183     12.40748 
1 1 1 2   20 9  o 240.1797 5.374424 777.7358       34.75774 777.7358      34.75774 0.000000       0.000000 240.1797 5.374424 ?        ?        ?              ?        
1 1 1 2   20 10 o 86.78909 7.118304 101.1357       16.41670 126.5214      24.41979 80.20164       22.17557 96.67327 9.381065 76.90491 10.70872 19.76836       14.23661 
1 1 1 2   20 11 o 152.2842 4.497042 310.1100       18.22930 332.9677      28.37699 294.0493       23.78649 156.9876 6.713015 147.5808 5.985731 9.406845       8.994083 
1 1 1 2   20 12 o 113.3988 5.861954 176.8454       16.58019 166.8238      29.22642 181.6013       20.13356 110.8627 9.790537 115.9349 6.449451 -5.072189      11.72391 
1 1 1 2   20 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   20 14 o 53.44421 12.88421 37.53177       21.99363 27.76423      37.26534 42.75257       27.24465 51.55857 19.53374 55.32985 16.80608 -3.771275      25.76842 
1 1 1 2   20 15 o 24.44645 12.25590 -96.27859      34.72887 0.000000      0.000000 -96.27859      34.72887 ?        ?        24.44645 12.25590 ?              ?        
1 1 1 2   20 16 o 29.32273 14.39369 -74.73875      39.06421 -74.73875     39.06421 0.000000       0.000000 29.32273 14.39369 ?        ?        ?              ?        
1 1 1 2   20 17 o 238.8310 6.772495 777.8914       43.55347 0.000000      0.000000 777.8914       43.55347 ?        ?        238.8310 6.772495 ?              ?        
1 1 1 2   20 18 o 122.5023 7.120240 206.6135       23.39565 186.6820      31.56373 230.9159       34.85320 115.9826 10.10676 129.0220 10.03218 -13.03942      14.24048 
1 1 1 2   20 19 o 152.4070 6.505924 325.0973       26.66125 311.1253      38.10131 338.5023       37.32021 149.0112 9.495934 155.8027 8.895811 -6.791550      13.01185 
1 1 1 2   20 20 o 118.8056 8.341416 206.9636       26.47705 237.4539      37.80848 177.6206       37.09025 128.0593 10.96465 109.5518 12.57352 18.50745       16.68283 
1 1 1 2   20 21 o 91.98630 14.45613 185.7881       33.37313 206.3735      38.47807 123.2811       67.04987 115.5557 12.36626 68.41689 26.13416 47.13882       28.91226 
1 1 1 2   22 0  o 436.2721 5.111055 2566.797       60.03591 2612.263      85.52562 2522.630       84.29495 440.0813 7.217386 432.4630 7.238845 7.618347       10.22211 
1 1 1 2   22 1  o 79.66846 8.207878 90.04370       16.45431 101.2429      21.44617 74.01716       25.65521 86.58676 9.198456 72.75014 13.59652 13.83662       16.41576 
1 1 1 2   22 2  o 173.5995 4.364181 405.6321       20.19908 401.6171      26.69094 411.0137       30.90087 172.6118 5.742620 174.5871 6.573174 -1.975342      8.728362 
1 1 1 2   22 3  o 157.2584 4.459313 334.9565       18.75495 348.7936      25.41665 318.4159       27.78881 160.8554 5.868124 153.6613 6.716176 7.194077       8.918626 
1 1 1 2   22 4  o 370.5903 4.553973 1851.388       45.43531 1881.454      64.99577 1822.654       63.53944 373.5300 6.462138 367.6507 6.418368 5.879303       9.107945 
1 1 1 2   22 5  o 197.1745 4.074717 524.1195       21.62951 536.3956      30.94379 512.3911       30.24564 199.4313 5.762314 194.9177 5.762727 4.513535       8.149434 
1 1 1 2   22 6  o 131.8622 5.273562 235.6662       18.64952 212.8271      26.49985 258.0780       26.25072 125.4877 7.842575 138.2366 7.052366 -12.74883      10.54712 
1 1 1 2   22 7  o 238.8256 4.072980 769.3849       26.18745 749.5062      36.68356 790.0433       37.39602 235.6790 5.780525 241.9722 5.739531 -6.293289      8.145961 
1 1 1 2   22 8  o 294.8878 4.257432 1173.492       33.77351 1160.618      46.64590 1187.677       48.96431 293.2043 5.908261 296.5713 6.131505 -3.366974      8.514864 
1 1 1 2   22 9  o 46.35221 11.73137 25.46948       18.60849 29.16327      25.00883 20.88771       27.85309 47.75182 16.25374 44.95260 16.92088 2.799221       23.46274 
1 1 1 2   22 10 o 362.9423 6.596026 1779.917       64.46194 1779.917      64.46194 0.000000       0.000000 362.9423 6.596026 ?        ?        ?              ?        
1 1 1 2   22 11 o 263.3456 5.957609 937.2047       42.24561 0.000000      0.000000 937.2047       42.24561 ?        ?        263.3456 5.957609 ?              ?        
1 1 1 2   22 12 o 192.0919 5.234797 480.9054       26.09173 569.7812      44.52982 434.4394       32.19787 204.9883 8.067492 179.1956 6.672928 25.79265       10.46959 
1 1 1 2   22 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   22 14 o 49.79169 18.80636 29.52929       34.47421 0.000000      0.000000 29.52929       34.47421 ?        ?        49.79169 18.80636 ?              ?        
1 1 1 2   22 15 o 48.13469 12.20336 22.21165       24.33979 -30.05962     39.30114 54.73458       31.00048 35.77048 16.67338 60.49889 17.82377 -24.72841      24.40672 
1 1 1 2   22 16 o 137.4853 6.956244 266.4147       25.04480 197.8090      35.52561 334.2007       35.31273 119.0528 11.08201 155.9178 8.411090 -36.86495      13.91249 
1 1 1 2   22 17 f 94.86239 11.28764 141.3973       26.28979 115.7641      43.04848 156.6436       33.20002 84.92667 19.26712 104.7981 11.76526 -19.87144      22.57528 
1 1 1 2   22 18 o 111.1743 9.098237 171.6007       26.25354 252.8200      42.55499 121.6932       33.35831 131.8724 11.98431 90.47612 13.69262 41.39630       18.19647 
1 1 1 2   22 19 o 48.57400 13.67027 36.97252       26.70653 35.59456      40.83717 38.00225       35.30204 48.51257 19.79222 48.63544 18.86197 -0.1228714     27.34055 
1 1 1 2   22 20 o 93.45436 12.27199 155.8330       29.82146 123.4279      41.99952 188.7820       42.35049 79.89986 19.65651 107.0089 14.69790 -27.10899      24.54397 
1 1 1 2   24 0  o 162.1112 6.441973 354.9189       28.12000 354.9189      28.12000 0.000000       0.000000 162.1112 6.441973 ?        ?        ?              ?        
1 1 1 2   24 1  o 290.6800 4.328043 1142.307       33.82520 1175.088      47.01031 1107.117       48.70689 295.0367 5.917438 286.3232 6.317577 8.713531       8.656087 
1 1 1 2   24 2  o 117.1294 6.328384 186.7961       19.85744 199.8231      27.41775 172.4241       28.79840 121.4911 8.381160 112.7677 9.484194 8.723396       12.65677 
1 1 1 2   24 3  o 150.6703 5.024633 307.2793       20.26274 310.4964      27.28374 303.3226       30.25822 151.5864 6.684367 149.7541 7.503798 1.832245       10.04927 
1 1 1 2   24 4  o 189.8506 4.590939 490.7445       23.24393 562.5768      32.63905 416.8253       33.10976 204.1111 5.938647 175.5902 7.002810 28.52086       9.181878 
1 1 1 2   24 5  o 168.1672 4.764938 382.7188       21.54537 402.1133      30.26461 362.7892       30.67914 172.5137 6.515206 163.8207 6.954901 8.692993       9.529877 
1 1 1 2   24 6  o 74.39958 10.91615 79.82332       21.36437 95.90170      28.82145 60.21357       31.82958 83.83103 12.76814 64.96812 17.70942 18.86291       21.83230 
1 1 1 2   24 7  f 262.4759 6.720012 931.7709       47.49445 931.7709      47.49445 0.000000       0.000000 262.4759 6.720012 ?        ?        ?              ?        
1 1 1 2   24 8  o 293.7646 4.785505 1167.655       37.84055 1175.985      52.92726 1158.945       54.12198 294.8575 6.666284 292.6718 6.867670 2.185699       9.571011 
1 1 1 2   24 9  o 153.7563 6.542746 326.8067       26.51311 398.8605      37.24303 252.7679       37.75256 171.4106 8.069078 136.1019 10.30146 35.30864       13.08549 
1 1 1 2   24 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   24 11 o 81.51636 21.25747 95.88859       47.14281 95.88859      47.14281 0.000000       0.000000 81.51636 21.25747 ?        ?        ?              ?        
1 1 1 2   24 12 o 117.4349 13.15820 193.2564       41.60801 193.2564      41.60801 0.000000       0.000000 117.4349 13.15820 ?        ?        ?              ?        
1 1 1 2   24 13 o 232.7806 5.045876 711.2668       30.50316 857.0315      52.03831 634.9673       37.64939 249.8693 7.734405 215.6920 6.482472 34.17735       10.09175 
1 1 1 2   24 14 o 140.2782 7.163633 277.7397       25.24045 259.9507      43.66093 286.6689       30.93327 136.0272 11.92021 144.5291 7.948537 -8.501831      14.32727 
1 1 1 2   24 15 f 46.62000 13.19328 24.43028       23.80626 17.54531      44.45287 27.19898       28.18943 47.64536 20.13818 45.59464 17.05005 2.050724       26.38655 
1 1 1 2   24 16 o 83.01801 12.84383 110.9924       26.59663 112.5077      47.78434 110.3123       32.01395 79.96911 21.65709 86.06690 13.81401 -6.097794      25.68767 
1 1 1 2   24 17 o 75.83919 13.92751 104.6195       27.28432 100.4558      51.35666 106.2569       32.20522 70.47579 23.28342 81.20258 15.29000 -10.72678      27.85502 
1 1 1 2   24 18 f 38.57644 12.15454 2.081270       27.88911 -40.17722     43.42726 31.74290       36.38337 32.44414 15.76080 44.70874 18.50752 -12.26460      24.30907 
1 1 1 2   26 0  o 56.19176 13.00193 35.27198       23.69829 13.26446      30.40684 69.32361       37.82288 43.02460 17.24831 69.35893 19.46013 -26.33434      26.00386 
1 1 1 2   26 1  o 79.42068 12.26757 88.34379       24.71042 81.73942      30.80264 100.2678       41.38879 75.64031 15.63997 83.20107 18.90409 -7.560753      24.53514 
1 1 1 2   26 2  o 286.8764 4.940327 1107.852       37.65276 1080.035      49.10438 1147.547       58.65848 282.6327 6.452299 291.1201 7.482991 -8.487427      9.880653 
1 1 1 2   26 3  o 219.1351 5.012160 654.8857       29.27502 693.5423      39.45608 607.5409       43.66546 226.4792 6.469969 211.7911 7.656795 14.68814       10.02432 
1 1 1 2   26 4  o 151.7786 6.653759 315.2058       26.72371 317.1113      34.79171 312.4638       41.73473 152.5509 8.469886 151.0062 10.26407 1.544754       13.30752 
1 1 1 2   26 5  o 103.8649 10.35463 164.5517       26.77328 187.7091      34.92176 131.5326       41.69984 115.2598 11.25213 92.47004 17.38571 22.78976       20.70926 
1 1 1 2   26 6  o 67.12154 20.86409 62.27379       41.69656 62.27379      41.69656 0.000000       0.000000 67.12154 20.86409 ?        ?        ?              ?        
1 1 1 2   26 7  o 252.6466 8.107400 863.2687       55.15418 863.2687      55.15418 0.000000       0.000000 252.6466 8.107400 ?        ?        ?              ?        
1 1 1 2   26 8  o 98.55757 15.36822 146.4368       40.78466 146.4368      40.78466 0.000000       0.000000 98.55757 15.36822 ?        ?        ?              ?        
1 1 1 2   26 9  o 114.8099 8.185274 182.4727       25.27654 194.8274      36.45324 171.0318       35.07919 118.5930 11.41547 111.0268 11.73379 7.566216       16.37055 
1 1 1 2   26 10 o 60.00648 12.56540 52.51315       23.76934 83.16990      33.75700 22.36711       33.47463 73.79456 17.29088 46.21841 18.23685 27.57615       25.13080 
1 1 1 2   26 11 o 43.70108 12.60032 11.67426       23.82388 29.25969      35.62374 -2.554483      32.04396 49.71957 19.03565 37.68259 16.51412 12.03698       25.20064 
1 1 1 2   26 12 o 34.09330 11.03939 -15.29395      22.67621 -10.53076     34.00608 -19.10783      30.42922 36.10048 16.33107 32.08611 14.85829 4.014370       22.07879 
1 1 1 2   26 13 o 125.5180 7.381262 223.4785       24.78477 222.8553      37.14450 223.9786       33.27568 124.9855 11.03701 126.0505 9.803904 -1.064949      14.76252 
1 1 1 2   26 14 o 87.30185 11.40402 120.8548       25.84733 118.2625      39.61130 122.7770       34.10983 84.55001 17.95363 90.05369 14.06678 -5.503677      22.80805 
1 1 1 2   26 15 o 32.37078 10.90217 -26.77386      25.96594 -30.35582     39.72341 -24.10151      34.31103 33.11167 15.82502 31.62989 14.99994 1.481779       21.80435 
1 1 1 2   26 16 o 86.14251 12.12199 132.5608       27.25536 120.4002      41.03912 142.1572       36.45637 79.24626 19.39089 93.03876 14.55211 -13.79250      24.24398 
1 1 1 2   28 0  o 247.0438 5.094510 840.4260       33.41779 865.4518      44.15735 806.8805       51.12415 251.7566 6.513865 242.3311 7.834903 9.425507       10.18902 
1 1 1 2   28 1  o 62.78304 13.38839 62.30026       26.02836 79.70707      31.84101 27.24205       45.18790 73.05375 16.56798 52.51233 21.03563 20.54142       26.77678 
1 1 1 2   28 2  o 180.2945 6.104400 444.0248       29.00720 441.4977      37.34461 447.8687       46.05658 179.9380 7.707642 180.6510 9.468213 -0.7129364     12.20880 
1 1 1 2   28 3  o 42.12370 12.69431 3.516246       25.74108 17.21456      32.10567 -21.13685      43.07090 44.48371 17.76227 39.76370 18.14067 4.720005       25.38862 
1 1 1 2   28 4  o 52.88242 14.20207 33.98176       27.18833 30.62790      34.34627 39.61037       44.49469 49.87003 18.78644 55.89480 21.30410 -6.024765      28.40414 
1 1 1 2   28 5  o 57.73217 13.61187 38.93997       25.77584 13.49426      32.19131 84.39997       43.02750 42.55401 17.49099 72.91033 20.86138 -30.35632      27.22374 
1 1 1 2   28 6  o 52.69110 13.29148 37.71433       25.27539 53.77666      31.55731 8.972543       42.21363 59.65567 18.08011 45.72653 19.48754 13.92914       26.58297 
1 1 1 2   28 7  o 138.6758 7.788570 270.6718       28.11008 276.9053      35.75617 260.5852       45.48388 141.4761 9.386086 135.8756 12.43176 5.600479       15.57714 
1 1 1 2   28 8  o 120.5895 8.500650 209.2300       26.99800 217.9893      35.26102 196.8194       41.97165 124.4560 10.52193 116.7230 13.35415 7.733002       17.00130 
1 1 1 2   28 9  o 53.71238 13.44152 40.78123       27.75942 68.11378      35.17543 -4.346042      45.19797 64.89117 18.94868 42.53359 19.06947 22.35757       26.88303 
1 1 1 2   28 10 o 148.1530 7.684362 310.6867       29.21578 302.8205      36.08347 325.6587       49.78131 146.7491 9.131653 149.5568 12.36166 -2.807693      15.36872 
1 1 1 2   28 11 o 36.27221 11.69146 -13.36108      26.36319 8.739099      34.98854 -42.38714      40.09793 40.19509 17.44100 32.34932 15.57475 7.845764       23.38293 
1 1 1 2   28 12 o 110.6255 9.592877 189.6671       28.38884 189.7656      38.18903 189.5455       42.44281 111.5413 12.71509 109.7098 14.36731 1.831497       19.18575 
1 1 1 2   28 13 o 92.25360 11.54218 146.2831       27.55112 182.2247      39.83689 113.3304       38.14451 106.2878 13.91934 78.21944 18.41574 28.06834       23.08436 
1 1 1 2   30 0  o 36.12822 11.63730 -13.87899      23.67836 -20.84572     29.35714 -0.9098662     40.05481 30.98832 14.43299 41.26812 18.25914 -10.27980      23.27460 
1 1 1 2   30 1  o 84.22376 12.09984 109.8783       25.84774 111.2093      32.23820 107.4827       43.25058 87.33047 13.70950 81.11706 19.94176 6.213409       24.19967 
1 1 1 2   30 2  o 55.14219 13.83303 45.79914       25.20727 44.37664      31.84579 48.18560       41.24798 53.85873 18.34136 56.42564 20.71244 -2.566906      27.66606 
1 1 1 2   30 3  o 49.63974 13.20364 34.37317       24.05732 41.08284      30.07695 22.45653       40.08298 52.00507 17.82416 47.27441 19.48446 4.730659       26.40728 
1 1 1 2   30 4  o 62.50134 13.77893 59.60408       25.12936 44.40754      31.27154 87.30525       42.22077 53.36956 18.17524 71.63312 20.71463 -18.26356      27.55786 
1 1 1 2   30 5  o 39.97385 12.19653 5.325273       24.80645 20.80113      32.31114 -16.89152      38.71377 43.55829 17.66783 36.38941 16.81870 7.168880       24.39305 
1 1 1 2   30 6  o 58.12144 12.49143 44.09999       24.19276 7.249317      30.84023 103.0572       39.00885 38.17770 16.46994 78.06519 18.78521 -39.88750      24.98286 
1 1 1 2   30 7  o 42.02365 12.75258 14.92066       25.23549 14.52069      31.80730 15.60010       41.45680 40.31375 17.03675 43.73355 18.98059 -3.419804      25.50517 
1 1 1 2   30 8  o 54.38957 13.56561 55.41177       25.58570 64.44551      30.78676 35.24185       46.00258 60.21840 17.76821 48.56075 20.50351 11.65766       27.13122 
1 1 1 2   30 9  o 60.34000 12.42529 74.37994       27.53005 111.0385      34.09403 5.693382       46.66879 79.97838 16.38249 40.70163 18.68598 39.27675       24.85059 
1 1 1 2   32 0  o 58.97040 12.66540 69.65282       24.65866 90.26377      30.89273 33.46433       40.93477 71.96019 16.31899 45.98060 19.37369 25.97959       25.33080 
1 1 1 2   32 1  o 53.50977 13.80869 49.63822       25.24293 31.79160      31.16417 83.68600       43.04493 44.22532 17.54989 62.79421 21.32419 -18.56889      27.61738 
1 1 1 2   32 2  o 54.83985 13.61897 58.99925       24.71614 59.72502      31.25513 57.78787       40.37980 56.17955 18.14052 53.50014 20.31815 2.679413       27.23794 
1 1 1 2   32 3  o 101.2045 9.710543 162.2965       26.09373 149.6043      33.76413 181.1186       41.11708 97.36854 12.87815 105.0404 14.53726 -7.671898      19.42109 
1 1 1 3   1  0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   1  1  o 781.5405 10.09754 8250.141       201.0000 8291.936      247.3253 8168.836       344.9521 784.5685 11.70723 778.5125 16.45545 6.056030       20.19508 
1 1 1 3   1  2  o 1298.700 13.69132 22741.83       478.7443 22915.76      682.2114 22573.07       671.9975 1303.584 19.43554 1293.816 19.28909 9.768066       27.38264 
1 1 1 3   1  3  f 1223.669 12.91068 20195.37       425.3854 20299.57      604.5361 20093.17       598.6784 1226.791 18.30073 1220.548 18.21610 6.242432       25.82137 
1 1 1 3   1  4  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   1  5  o 1578.041 16.67383 33634.41       708.3145 34099.92      1015.615 33193.55       988.3570 1588.630 23.74230 1567.451 23.41728 21.17908       33.34765 
1 1 1 3   1  6  o 843.3014 8.946026 9581.487       203.1403 9579.751      287.1157 9583.228       287.4521 843.2252 12.64532 843.3775 12.65786 -0.1522827     17.89205 
1 1 1 3   1  7  o 1808.239 19.13511 44168.29       931.6201 44457.86      1327.040 43886.89       1308.182 1814.057 27.16750 1802.419 26.95435 11.63806       38.27022 
1 1 1 3   1  8  o 1030.238 10.94779 14273.79       303.1375 14873.42      445.4506 13756.58       413.7093 1050.315 15.75058 1010.161 15.20973 40.15466       21.89558 
1 1 1 3   1  9  o 247.0302 3.453337 820.8188       22.93636 806.2885      31.47088 837.2811       33.49775 244.7018 4.776265 249.3587 4.988933 -4.656998      6.906674 
1 1 1 3   1  10 o 251.2495 3.639266 845.8843       24.51355 807.7994      32.88695 893.4997       36.77230 244.9193 4.986744 257.5797 5.301829 -12.66043      7.278531 
1 1 1 3   1  11 o 334.4410 4.257403 1507.021       38.33892 1519.401      54.28784 1494.703       54.15125 335.8119 6.003757 333.0700 6.037951 2.741882       8.514807 
1 1 1 3   1  12 o 159.4343 6.424876 342.7423       27.58226 0.000000      0.000000 342.7423       27.58226 ?        ?        159.4343 6.424876 ?              ?        
1 1 1 3   1  13 o 146.0204 5.018776 287.4083       19.71345 278.9250      27.15136 296.8661       28.66853 143.7494 7.014588 148.2914 7.179695 -4.542023      10.03755 
1 1 1 3   1  14 o 591.6959 9.493293 4739.332       151.2512 4739.332      151.2512 0.000000       0.000000 591.6959 9.493293 ?        ?        ?              ?        
1 1 1 3   1  15 o 344.7208 4.934229 1603.117       45.78906 1640.989      65.64185 1567.224       63.90412 348.6827 6.991447 340.7589 6.964633 7.923798       9.868458 
1 1 1 3   1  16 o 78.91404 10.88985 86.84027       22.61627 97.41582      31.56213 75.67943       32.42375 84.72134 13.83535 73.10674 16.82077 11.61461       21.77969 
1 1 1 3   1  17 o 105.8094 9.062858 151.8341       25.76257 154.9390      35.48169 148.3720       37.46687 106.9792 12.31747 104.6397 13.29743 2.339516       18.12572 
1 1 1 3   1  18 f 384.1199 5.609199 1985.119       57.79979 1927.369      77.96436 2055.593       86.12621 377.9643 7.660586 390.2755 8.195600 -12.31119      11.21840 
1 1 1 3   1  19 f 142.0838 8.211679 275.1653       31.20921 285.0529      42.25697 263.2994       46.29139 144.9807 10.82443 139.1870 12.35146 5.793686       16.42336 
1 1 1 3   1  20 o 165.9507 7.689632 373.1609       34.26649 359.4482      46.44949 389.5348       50.75673 162.6548 10.60549 169.2466 11.13757 -6.591766      15.37926 
1 1 1 3   1  21 o 66.40243 16.78700 47.57597       40.02207 13.10491      54.65562 87.42855       58.76730 54.32936 22.60268 78.47550 24.82603 -24.14614      33.57399 
1 1 1 3   1  22 o 65.76487 18.34749 47.67338       48.37611 62.61929      66.30510 30.66214       70.73819 69.26360 26.10029 62.26615 25.79335 6.997448       36.69499 
1 1 1 3   1  23 o 73.89507 20.54123 69.52542       62.09100 108.0012      85.35688 26.28530       90.48743 82.38936 29.86310 65.40079 28.21282 16.98857       41.08245 
1 1 1 3   1  24 o 61.00626 18.70265 24.00691       56.69197 40.55281      83.85157 10.07537       76.94238 64.59616 27.49581 57.41637 25.36015 7.179794       37.40530 
1 1 1 3   1  25 o 109.2373 16.56204 202.9891       48.53474 259.3403      69.54324 149.4780       67.76815 127.9381 20.18699 90.53654 26.26196 37.40157       33.12409 
1 1 1 3   1  26 o 51.59088 16.42175 20.93811       47.86967 22.64939      65.22847 18.94070       70.47094 51.42047 22.99138 51.76130 23.45404 -0.3408279     32.84350 
1 1 1 3   1  27 o 39.37000 13.22816 -12.11065      37.74773 3.135015      45.78840 -44.45222      66.69033 39.80315 18.35942 38.93684 19.04910 0.8663025      26.45631 
1 1 1 3   3  0  o 535.0972 6.965646 3874.614       95.63062 3916.812      118.7906 3796.903       161.2042 539.2926 8.180390 530.9017 11.27662 8.390869       13.93129 
1 1 1 3   3  1  o 1369.228 17.69977 25320.74       615.9302 25345.82      755.4988 25271.03       1063.616 1370.845 20.46737 1367.611 28.88277 3.234131       35.39954 
1 1 1 3   3  2  o 564.4158 7.320751 4326.979       106.2138 4414.967      132.5628 4169.208       177.5105 572.5429 8.598652 556.2886 11.85060 16.25433       14.64150 
1 1 1 3   3  3  o 672.8312 7.144440 6096.611       129.3928 6202.059      185.9493 5997.622       180.1658 678.4653 10.17849 667.1970 10.02848 11.26837       14.28888 
1 1 1 3   3  4  o 944.9462 10.01553 12027.26       254.6395 12342.75      369.0411 11740.55       351.8060 956.7461 14.32500 933.1462 14.00136 23.59991       20.03106 
1 1 1 3   3  5  o 1146.571 12.12823 17726.07       374.4365 17776.50      530.8916 17676.16       528.1851 1148.192 17.17149 1144.951 17.13231 3.240967       24.25646 
1 1 1 3   3  6  o 1052.760 11.15462 14939.06       316.1844 14847.48      444.1862 15033.13       450.1786 1049.494 15.71815 1056.026 15.83167 -6.531738      22.30924 
1 1 1 3   3  7  o 1249.906 13.24108 21028.90       444.9767 21782.21      651.0919 20368.67       609.5450 1270.835 19.02698 1228.977 18.41954 41.85803       26.48217 
1 1 1 3   3  8  o 2086.917 22.10141 58834.12       1240.550 60687.52      1807.242 57182.67       1705.943 2117.809 31.69174 2056.026 30.81432 61.78369       44.20281 
1 1 1 3   3  9  o 1456.367 15.45247 28622.29       605.5313 29336.93      876.7875 27970.60       837.2792 1473.678 22.09574 1439.056 21.60773 34.62134       30.90494 
1 1 1 3   3  10 f 680.7744 7.414626 6239.313       135.7482 6089.920      186.5307 6407.523       197.9299 672.1375 10.30644 689.4113 10.66227 -17.27380      14.82925 
1 1 1 3   3  11 o 62.35686 8.668797 51.80815       14.50220 21.23010      19.08348 93.60435       22.31111 41.44355 14.19782 83.27017 9.950577 -41.82662      17.33759 
1 1 1 3   3  12 o 412.8625 5.057569 2297.830       56.12499 2265.613      76.87114 2334.611       82.13558 409.7895 6.966573 415.9355 7.333680 -6.146057      10.11514 
1 1 1 3   3  13 f 332.8753 4.683844 1496.324       41.91028 1509.432      57.74485 1481.733       60.92294 334.4427 6.412216 331.3079 6.829134 3.134857       9.367688 
1 1 1 3   3  14 o 168.0546 5.167130 378.5494       23.07696 364.1864      30.04378 399.2175       36.03992 164.2343 6.793715 171.8748 7.787323 -7.640472      10.33426 
1 1 1 3   3  15 o 141.9786 6.421811 276.0765       24.22953 311.8172      33.30284 235.8813       35.31727 151.9273 8.140707 132.0300 9.934159 19.89728       12.84362 
1 1 1 3   3  16 o 402.5348 5.531936 2183.561       59.78217 2142.863      81.13815 2231.891       88.41993 398.4724 7.562118 406.5971 8.076115 -8.124695      11.06387 
1 1 1 3   3  17 o 130.9563 7.744449 229.9598       27.19120 210.7961      36.47150 253.9418       40.79984 124.8695 10.84711 137.0431 11.05650 -12.17362      15.48890 
1 1 1 3   3  18 o 631.8894 7.544265 5397.079       128.2173 5380.596      177.0269 5415.266       185.9557 630.9348 10.42009 632.8440 10.91263 -1.909241      15.08853 
1 1 1 3   3  19 o 170.7117 7.887074 399.8261       35.79728 461.0903      49.86582 334.6838       51.41995 184.4813 10.03846 156.9422 12.16770 27.53911       15.77415 
1 1 1 3   3  20 o 255.7728 6.674736 889.5759       45.47625 903.5476      60.34034 871.2051       69.19048 258.2497 8.677300 253.2958 10.14460 4.953827       13.34947 
1 1 1 3   3  21 o 246.0054 8.346183 829.0779       54.95024 854.8361      74.45742 798.2674       81.43299 250.4304 11.04174 241.5804 12.51859 8.850021       16.69237 
1 1 1 3   3  22 o 64.64399 18.57956 61.96972       50.90816 33.36430      67.36153 100.0671       77.73834 56.57367 24.37368 72.71432 28.04860 -16.14065      37.15912 
1 1 1 3   3  23 o 49.03587 16.51361 -61.88865      61.81870 -134.5967     87.87734 9.340904       86.97925 41.98090 20.79068 56.09084 25.66214 -14.10994      33.02723 
1 1 1 3   3  24 o 89.97564 19.45953 138.0999       53.16536 97.65744      73.69852 181.9835       76.76984 77.00868 27.77396 102.9426 27.26353 -25.93391      38.91906 
1 1 1 3   3  25 o 68.36372 18.20386 73.47824       46.84089 38.67352      62.47743 118.1523       70.78342 57.40815 24.04811 79.31929 27.33515 -21.91114      36.40772 
1 1 1 3   3  26 o 61.79625 17.71826 74.74303       45.89281 75.01192      62.45665 74.42746       67.65960 61.91088 24.75531 61.68162 25.35590 0.2292595      35.43652 
1 1 1 3   3  27 o 35.89460 11.94991 -12.59231      29.75170 -17.75838     44.30063 -8.347927      40.15474 35.81723 17.00269 35.97198 16.79614 -0.1547470     23.89983 
1 1 1 3   5  0  o 1009.455 13.11584 13700.96       335.4169 13614.46      409.3600 13877.69       585.0977 1004.949 15.12788 1013.961 21.43009 -9.011780      26.23169 
1 1 1 3   5  1  o 475.6047 6.230209 3068.552       76.05730 3119.999      94.67229 2974.910       127.7256 481.3058 7.304969 469.9036 10.09453 11.40228       12.46042 
1 1 1 3   5  2  o 326.1952 7.260948 1433.153       63.77556 0.000000      0.000000 1433.153       63.77556 ?        ?        326.1952 7.260948 ?              ?        
1 1 1 3   5  3  o 369.8786 4.753268 1800.307       39.83272 1765.754      45.17990 1920.909       84.40750 362.1226 4.633469 377.6345 8.300915 -15.51190      9.506536 
1 1 1 3   5  4  o 620.5327 13.26544 5188.850       221.6510 5188.850      221.6510 0.000000       0.000000 620.5327 13.26544 ?        ?        ?              ?        
1 1 1 3   5  5  o 182.0243 3.440226 444.0611       16.26711 438.4031      20.40566 453.9260       26.94417 180.4436 4.199772 183.6050 5.450003 -3.161392      6.880452 
1 1 1 3   5  6  o 1410.598 14.95829 26806.65       567.5214 26081.16      780.6406 27619.91       826.5154 1390.426 20.85067 1430.770 21.45349 -40.34412      29.91659 
1 1 1 3   5  7  o 322.1519 4.148766 1395.410       35.79942 1377.568      48.07700 1417.614       53.63359 319.8470 5.582281 324.4567 6.138987 -4.609711      8.297531 
1 1 1 3   5  8  o 401.6360 6.601073 2172.381       71.38889 2172.381      71.38889 0.000000       0.000000 401.6360 6.601073 ?        ?        ?              ?        
1 1 1 3   5  9  o 145.5889 4.351368 286.3676       16.82306 291.1179      22.13437 279.8702       25.88667 147.0272 5.590956 144.1505 6.669244 2.876678       8.702736 
1 1 1 3   5  10 o 109.4005 5.355668 157.6311       15.59606 133.7777      20.37374 191.3929       24.23863 99.63087 7.594402 119.1701 7.553658 -19.53924      10.71134 
1 1 1 3   5  11 o 213.5099 4.344983 609.7639       24.50508 591.2510      31.49868 638.1475       39.00224 209.4581 5.584856 217.5616 6.657694 -8.103577      8.689966 
1 1 1 3   5  12 o 247.8222 4.560695 827.0222       29.97928 819.7462      39.07905 837.4280       46.73495 246.5425 5.886658 249.1020 6.967569 -2.559479      9.121390 
1 1 1 3   5  13 o 431.2100 5.606620 2518.911       64.81094 2568.769      88.12630 2460.179       95.64809 435.9619 7.507124 426.4581 8.329455 9.503845       11.21324 
1 1 1 3   5  14 o 191.6277 5.294565 489.1566       27.01543 452.0223      35.18684 542.4772       42.16387 182.9264 7.143656 200.3291 7.816513 -17.40274      10.58913 
1 1 1 3   5  15 o 259.8149 5.151553 917.0374       35.68245 960.7881      47.92724 862.6263       53.44819 266.8648 6.669722 252.7650 7.852948 14.09984       10.30311 
1 1 1 3   5  16 o 147.2492 6.837667 291.4436       27.02667 263.1414      36.79520 324.6031       39.82764 139.5215 9.794145 154.9769 9.544081 -15.45541      13.67533 
1 1 1 3   5  17 o 270.4998 5.733585 975.0371       40.92270 929.2585      52.31918 1047.183       65.68020 262.4734 7.402735 278.5262 8.757597 -16.05283      11.46717 
1 1 1 3   5  18 o 211.6935 6.472330 596.9912       36.54997 548.3468      47.87815 664.9366       56.58493 201.5219 8.823316 221.8651 9.471711 -20.34322      12.94466 
1 1 1 3   5  19 o 147.7788 8.199566 293.4892       32.39355 249.5190      43.56158 347.8819       48.45017 135.4897 11.94027 160.0680 11.24107 -24.57831      16.39913 
1 1 1 3   5  20 o 396.8670 6.501321 2132.789       68.61741 2117.020      90.08653 2154.581       105.8993 395.3382 8.462675 398.3958 9.871770 -3.057556      13.00264 
1 1 1 3   5  21 o 383.3482 7.619433 2008.033       78.16576 2054.162      105.5981 1952.124       116.2549 388.5161 10.09401 378.1803 11.41639 10.33582       15.23887 
1 1 1 3   5  22 o 171.7191 14.25043 410.8488       65.89114 412.5592      93.17617 409.1378       93.19212 172.0896 20.10790 171.3487 20.19831 0.7409821      28.50087 
1 1 1 3   5  23 o 75.65871 20.19968 69.51238       58.29959 128.5911      88.05009 23.39380       77.79510 89.03987 30.49709 62.27755 26.49595 26.76233       40.39936 
1 1 1 3   5  24 o 62.00478 18.29273 18.39800       54.86122 86.58558      79.00503 -45.09989      76.23981 74.74564 28.41227 49.26391 23.04863 25.48173       36.58546 
1 1 1 3   5  25 o 67.07010 18.60306 77.89203       49.06309 82.35658      66.95520 72.71477       72.10165 68.21201 26.10143 65.92818 26.51435 2.283836       37.20611 
1 1 1 3   5  26 o 52.51990 15.48682 44.75566       35.39759 49.22224      59.48765 42.30725       44.04354 54.07573 23.09184 50.96407 20.64300 3.111660       30.97364 
1 1 1 3   7  0  o 536.2640 5.716980 3873.507       82.55206 3872.086      116.8429 3874.924       116.6498 536.1655 8.093196 536.3624 8.076858 -0.1968994     11.43396 
1 1 1 3   7  1  o 992.0049 10.50238 13264.60       280.5011 13383.32      400.3652 13150.15       393.1113 996.3574 14.92306 987.6524 14.78182 8.705017       21.00476 
1 1 1 3   7  2  o 1453.727 15.37606 28484.17       601.3128 29284.94      873.6205 27763.26       828.9094 1473.075 22.02494 1434.380 21.46148 38.69495       30.75212 
1 1 1 3   7  3  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   7  4  o 1715.238 18.12669 39724.84       836.8845 39092.54      1164.597 40400.01       1203.425 1701.178 25.42392 1729.297 25.84437 -28.11877      36.25338 
1 1 1 3   7  5  f 766.3707 9.940470 7984.392       195.9083 8155.898      244.7126 7678.293       326.9244 778.0509 11.68059 754.6906 16.08774 23.36035       19.88094 
1 1 1 3   7  6  o 1348.847 17.50198 24501.63       596.6113 24370.05      726.6416 24773.82       1045.124 1344.023 20.07845 1353.672 28.67286 -9.649048      35.00396 
1 1 1 3   7  7  o 274.2004 3.987053 1038.561       26.90161 1080.057      32.43150 947.0355       48.16579 283.2187 4.252670 265.1821 6.745454 18.03659       7.974105 
1 1 1 3   7  8  o 577.1443 7.643733 4507.075       112.3032 4544.920      138.2312 4433.598       192.6104 580.8185 8.838574 573.4702 12.47342 7.348328       15.28747 
1 1 1 3   7  9  o 392.4848 5.501020 2079.278       54.43621 2085.449      66.28465 2066.493       95.40671 393.4478 6.256659 391.5218 9.049813 1.926025       11.00204 
1 1 1 3   7  10 o 181.0717 4.194965 441.7541       17.25089 441.6260      19.67677 442.1794       35.86367 181.0678 4.035796 181.0755 7.355493 -0.7629395E-02 8.389930 
1 1 1 3   7  11 o 137.5590 5.929737 259.9713       21.54056 285.1280      28.73572 227.7039       32.54446 145.3387 7.342728 129.7793 9.312974 15.55943       11.85947 
1 1 1 3   7  12 o 57.80919 11.34981 48.66753       19.97747 69.57810      25.73227 16.94203       31.69562 70.25262 14.09314 45.36575 17.79483 24.88688       22.69962 
1 1 1 3   7  13 o 226.5055 5.443692 691.8467       32.27520 687.1259      41.01772 699.5214       52.29872 225.5900 6.752556 227.4209 8.540381 -1.830872      10.88738 
1 1 1 3   7  14 o 222.3815 5.568759 669.0949       32.51279 673.2457      41.66400 662.6312       51.99265 223.3448 6.927903 221.4182 8.720579 1.926605       11.13752 
1 1 1 3   7  15 o 132.2006 8.014215 243.4622       27.60117 273.1936      36.26514 202.5285       42.55223 142.1806 9.472521 122.2206 12.92989 19.96004       16.02843 
1 1 1 3   7  16 o 141.1760 8.093872 279.9390       29.52336 321.2416      38.69814 222.4225       45.66647 154.2258 9.318582 128.1263 13.23658 26.09950       16.18774 
1 1 1 3   7  17 o 604.4690 8.598041 4827.111       129.1874 4648.377      153.9888 5251.841       237.3790 586.5954 9.749159 622.3427 14.16542 -35.74725      17.19608 
1 1 1 3   7  18 o 326.1605 6.441464 1440.208       55.21549 1442.931      70.81338 1435.987       88.18774 326.7332 8.048941 325.5877 10.05905 1.145416       12.88293 
1 1 1 3   7  19 o 351.4945 6.595670 1671.165       61.12125 1656.755      78.65278 1693.133       97.11428 349.8259 8.349852 353.1632 10.21232 -3.337341      13.19134 
1 1 1 3   7  20 o 244.4643 7.989580 810.1431       52.30920 783.6374      69.95380 843.7624       78.78364 240.0561 10.82219 248.8726 11.75643 -8.816483      15.97916 
1 1 1 3   7  21 o 68.95119 19.05600 47.76526       51.33670 54.57697      72.33271 40.85152       72.87243 70.61028 27.10308 67.29211 26.79456 3.318176       38.11201 
1 1 1 3   7  22 o 96.15906 23.21889 112.5830       77.63431 198.7913      112.0228 32.91685       107.6884 115.5865 33.83333 76.73159 31.80838 38.85493       46.43778 
1 1 1 3   7  23 o 55.80554 17.60293 -2.933783      54.94809 -42.21821     84.02464 26.41926       72.63117 52.01474 24.29012 59.59634 25.48415 -7.581596      35.20585 
1 1 1 3   7  24 f 81.02841 19.39089 115.6183       52.45013 160.1231      75.43613 73.96853       72.97639 93.47895 27.86944 68.57787 26.96889 24.90108       38.78178 
1 1 1 3   7  25 o 81.17281 18.32892 130.3497       49.18694 184.5046      68.98483 74.34753       70.15150 98.02419 25.78851 64.32143 26.05285 33.70277       36.65785 
1 1 1 3   7  26 o 44.59610 14.42213 13.05443       40.27091 36.06049      48.83593 -35.83172      71.18874 47.85944 20.68585 41.33277 20.10191 6.526669       28.84426 
1 1 1 3   9  0  o 963.9981 10.19883 12523.56       264.7102 12623.01      377.4166 12427.28       371.3701 967.7599 14.48338 960.2363 14.36301 7.523560       20.39765 
1 1 1 3   9  1  f 1433.882 15.15671 27744.05       585.1830 27863.72      831.0128 27626.34       824.1771 1436.943 21.47756 1430.822 21.39201 6.120972       30.31342 
1 1 1 3   9  2  o 543.0516 8.234546 3971.664       120.4104 3971.664      120.4104 0.000000       0.000000 543.0516 8.234546 ?        ?        ?              ?        
1 1 1 3   9  3  o 1018.773 10.78516 13958.70       295.2904 14526.00      434.1658 13470.39       402.8031 1037.960 15.53430 999.5860 14.96543 38.37360       21.57032 
1 1 1 3   9  4  o 655.2438 6.978239 5772.441       122.9279 5969.160      179.9937 5600.476       168.2887 665.6807 10.04171 644.8068 9.692639 20.87390       13.95648 
1 1 1 3   9  5  o 951.3486 10.08649 12167.85       257.8856 11723.09      351.7486 12684.76       379.2082 932.6193 14.00698 970.0780 14.51736 -37.45874      20.17299 
1 1 1 3   9  6  o 216.8810 2.793325 627.9897       16.22385 684.1868      24.56007 584.4822       21.60999 225.4160 4.046332 208.3461 3.851995 17.06984       5.586651 
1 1 1 3   9  7  o 769.7731 8.199247 7988.563       169.9415 8033.678      241.7529 7944.493       238.9390 771.9180 11.63100 767.6281 11.55986 4.289917       16.39849 
1 1 1 3   9  8  o 472.5422 6.407923 3018.727       76.71100 3034.073      93.88661 2987.906       133.0512 474.4782 7.348590 470.6062 10.49972 3.871979       12.81585 
1 1 1 3   9  9  o 267.8710 5.253296 965.7950       37.79716 993.6596      55.76414 942.1140       51.40775 271.4255 7.629938 264.3164 7.223057 7.109070       10.50659 
1 1 1 3   9  10 o 227.1587 4.285921 715.5929       24.04729 748.3314      29.12406 645.4592       42.62709 235.6394 4.590083 218.6780 7.239310 16.96144       8.571842 
1 1 1 3   9  11 o 176.6879 4.482163 394.0973       16.90890 378.0399      18.67902 466.9755       39.79389 167.4836 4.141889 185.8922 7.950088 -18.40860      8.964326 
1 1 1 3   9  12 o 203.2367 4.818386 529.1137       21.76213 508.6331      24.39027 609.0795       48.19444 194.2390 4.663338 212.2344 8.433307 -17.99541      9.636772 
1 1 1 3   9  13 o 472.1562 6.770390 3010.594       79.55525 3002.606      95.67375 3028.492       143.2176 471.5639 7.534750 472.7484 11.25079 -1.184479      13.54078 
1 1 1 3   9  14 o 245.2175 5.225080 815.3580       28.92832 818.6614      32.95275 804.2571       60.40648 246.4611 4.965464 243.9738 9.195109 2.487320       10.45016 
1 1 1 3   9  15 o 147.2541 6.440642 290.1999       21.07199 288.1548      23.78498 297.6617       45.43282 146.1927 6.042179 148.3154 11.37627 -2.122681      12.88128 
1 1 1 3   9  16 o 226.2932 5.622064 701.2415       29.74154 712.0649      34.52774 670.1168       58.55099 229.8529 5.578722 222.7335 9.762596 7.119385       11.24413 
1 1 1 3   9  17 o 227.5964 5.961190 739.4592       31.18976 781.6144      36.34639 621.7059       60.74664 240.7904 5.605814 214.4025 10.52226 26.38795       11.92238 
1 1 1 3   9  18 o 106.7458 10.73194 163.0632       25.23265 167.7941      29.08064 148.6510       50.75704 111.2700 9.706050 102.2215 19.14395 9.048470       21.46388 
1 1 1 3   9  19 o 278.6502 6.121566 1005.574       38.61214 968.6923      43.62402 1138.986       82.96938 267.8222 6.049168 289.4782 10.64433 -21.65601      12.24313 
1 1 1 3   9  20 o 162.0109 10.06032 361.4621       35.69720 361.8649      40.20440 359.9619       77.59409 163.2223 9.147674 160.7994 17.92094 2.422897       20.12064 
1 1 1 3   9  21 o 177.7055 10.54449 385.3295       43.18485 343.7973      48.60726 540.9442       94.08791 158.5913 11.38252 196.8198 17.75340 -38.22853      21.08898 
1 1 1 3   9  22 o 61.63503 15.71611 53.09193       37.30798 80.95216      41.94132 -52.51665      81.65810 72.49284 20.54609 50.77721 23.78745 21.71564       31.43222 
1 1 1 3   9  23 o 189.1704 8.948825 521.1697       38.40881 537.3396      44.30437 472.2516       77.05972 197.7341 8.321119 180.6067 15.84566 17.12737       17.89765 
1 1 1 3   9  24 o 107.4205 14.92299 240.1534       35.19911 277.6459      39.78424 105.0420       75.52390 140.0533 10.54956 74.78782 27.91934 65.26546       29.84599 
1 1 1 3   9  25 o 80.62547 16.55044 125.0006       33.74987 122.7868      37.10054 135.6226       81.26717 86.70889 16.49303 74.54206 28.69927 12.16683       33.10088 
1 1 1 3   9  26 o 97.62592 15.08295 200.1879       33.87890 206.6529      38.46547 177.8246       71.54084 115.0027 12.42166 80.24917 27.48971 34.75350       30.16591 
1 1 1 3   11 0  o 897.7709 9.511538 10860.89       229.9275 10819.08      323.9294 10903.34       326.4181 896.0313 13.42591 899.5106 13.47673 -3.479248      19.02308 
1 1 1 3   11 1  o 1245.431 13.16393 20919.65       441.4453 21008.98      627.0797 20831.88       621.5527 1248.061 18.65965 1242.800 18.57348 5.261353       26.32787 
1 1 1 3   11 2  f 1089.474 11.53022 16004.92       338.2431 16062.28      480.2064 15948.44       476.5110 1091.408 16.34021 1087.540 16.27212 3.867310       23.06045 
1 1 1 3   11 3  o 1147.025 12.13764 17747.81       374.8770 17780.27      531.1299 17715.60       529.1876 1148.068 17.18105 1145.983 17.14937 2.085571       24.27528 
1 1 1 3   11 4  o 1305.489 13.82726 22975.68       485.4175 23755.75      708.9001 22287.03       666.0681 1326.256 19.85063 1284.722 19.25422 41.53357       27.65452 
1 1 1 3   11 5  o 406.0696 6.283779 2220.966       68.70760 0.000000      0.000000 2220.966       68.70760 ?        ?        406.0696 6.283779 ?              ?        
1 1 1 3   11 6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11 7  o 618.2351 9.383444 5159.424       156.2066 0.000000      0.000000 5159.424       156.2066 ?        ?        618.2351 9.383444 ?              ?        
1 1 1 3   11 8  o 211.6249 2.973070 602.0040       16.91962 630.3595      24.71040 576.9758       23.21543 216.3045 4.242589 206.9453 4.166177 9.359177       5.946141 
1 1 1 3   11 9  o 179.5928 4.015506 434.5927       19.41836 434.5927      19.41836 0.000000       0.000000 179.5928 4.015506 ?        ?        ?              ?        
1 1 1 3   11 10 o 128.0980 4.995965 233.1894       13.23620 240.2329      14.73714 203.7988       30.10394 133.5041 4.099542 122.6920 9.112212 10.81208       9.991929 
1 1 1 3   11 11 o 78.38000 11.14434 95.42522       23.10913 38.66639      35.02827 139.1674       30.75049 55.51517 19.22380 101.2448 11.27965 -45.72968      22.28867 
1 1 1 3   11 12 o 200.9834 4.828633 486.9687       21.00644 452.1922      23.17800 646.9059       49.70588 183.1636 4.699517 218.8031 8.436666 -35.63947      9.657266 
1 1 1 3   11 13 o 205.1840 4.907315 549.7091       22.54261 535.7969      25.41077 601.1112       48.84391 199.3967 4.732782 210.9713 8.598125 -11.57458      9.814631 
1 1 1 3   11 14 o 216.2125 4.999300 613.6965       24.39386 600.1669      27.60759 661.8716       52.09504 211.0362 4.858344 221.3889 8.738908 -10.35274      9.998601 
1 1 1 3   11 15 o 425.5845 6.434028 2355.267       65.29475 2258.173      75.59855 2640.409       129.5532 409.2148 6.860863 441.9541 10.88648 -32.73935      12.86806 
1 1 1 3   11 16 o 272.3464 5.562688 1006.865       36.19911 1013.897      42.43413 988.0704       69.37312 274.2516 5.746227 270.4412 9.526536 3.810394       11.12538 
1 1 1 3   11 17 o 252.9583 5.859840 819.7877       35.52017 770.2936      41.09115 966.0994       70.64983 238.8777 6.388358 267.0389 9.825466 -28.16121      11.71968 
1 1 1 3   11 18 o 234.0976 5.981939 745.8969       32.35912 749.3695      37.25797 735.2349       65.28465 235.5785 5.873543 232.6168 10.42285 2.961746       11.96388 
1 1 1 3   11 19 o 343.3454 6.743303 1597.826       54.28144 1593.440      62.84374 1610.710       107.7192 343.2063 6.800227 343.4844 11.64669 -0.2781372     13.48661 
1 1 1 3   11 20 o 243.1095 7.676036 785.8209       42.55154 746.4936      48.18498 925.1265       90.68786 232.7704 7.687773 253.4485 13.28850 -20.67812      15.35207 
1 1 1 3   11 21 o 52.06346 16.61107 -20.31998      39.75908 -34.81294     44.66965 34.93951       87.22430 37.93750 17.71434 66.18943 28.10538 -28.25193      33.22213 
1 1 1 3   11 22 o 63.57934 15.94256 63.13035       33.76448 75.34669      37.85966 15.64835       74.63982 69.43135 19.46576 57.72733 25.25361 11.70402       31.88512 
1 1 1 3   11 23 o 111.0790 14.35693 212.2680       31.88584 223.0647      35.59479 168.4096       71.74126 125.8523 10.50369 96.30583 26.72375 29.54643       28.71387 
1 1 1 3   11 24 o 93.78313 15.14206 160.6309       32.09908 165.9049      35.87148 139.4379       71.90730 106.1562 12.54934 81.41010 27.56161 24.74606       30.28412 
1 1 1 3   11 25 o 43.35268 13.47955 18.75264       32.55629 40.38432      36.94521 -56.41125      68.86802 47.94501 19.08239 38.76034 19.04353 9.184673       26.95911 
1 1 1 3   13 0  o 143.6354 2.788033 276.2175       10.75184 301.2046      15.93982 255.3578       14.56396 149.5614 3.958044 137.7095 3.927645 11.85190       5.576066 
1 1 1 3   13 1  o 721.0939 7.691284 7005.173       149.2497 7149.325      215.5980 6872.524       206.8175 728.2012 10.99537 713.9866 10.75756 14.21466       15.38257 
1 1 1 3   13 2  o 710.5619 7.586523 6796.172       144.9437 7026.324      211.9525 6593.991       198.6556 721.8233 10.90496 699.3004 10.55003 22.52289       15.17305 
1 1 1 3   13 3  o 784.8333 8.363782 8311.771       176.7116 8415.046      253.1602 8213.639       246.7780 789.5730 11.90748 780.0936 11.74834 9.479431       16.72756 
1 1 1 3   13 4  o 285.5629 3.431509 1098.235       26.38058 1082.570      36.86246 1114.681       37.76963 283.4771 4.829287 287.6487 4.876373 -4.171661      6.863019 
1 1 1 3   13 5  o 106.4180 4.597533 152.5701       13.17418 152.5701      13.17418 0.000000       0.000000 106.4180 4.597533 ?        ?        ?              ?        
1 1 1 3   13 6  o 210.6201 2.961676 597.5913       16.75414 599.1081      24.59818 596.2787       22.88261 210.8639 4.332287 210.3764 4.039478 0.4875336      5.923351 
1 1 1 3   13 7  o 171.9744 2.989702 402.4795       13.70273 360.4911      20.16733 438.4865       18.67569 163.5470 4.579545 180.4017 3.844611 -16.85475      5.979404 
1 1 1 3   13 8  o 121.4881 4.110147 198.9211       13.44542 0.000000      0.000000 198.9211       13.44542 ?        ?        121.4881 4.110147 ?              ?        
1 1 1 3   13 9  o 451.8416 5.049666 2754.972       61.39499 2812.586      88.81468 2702.244       84.96451 456.3454 7.227826 447.3377 7.053727 9.007690       10.09933 
1 1 1 3   13 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   13 11 o 563.3753 8.784884 4289.080       133.2654 0.000000      0.000000 4289.080       133.2654 ?        ?        563.3753 8.784884 ?              ?        
1 1 1 3   13 12 o 457.9483 5.181931 2829.909       63.89798 2839.638      90.27474 2820.141       90.45631 458.7399 7.308300 457.1567 7.348360 1.583221       10.36386 
1 1 1 3   13 13 o 194.3584 5.211905 529.8228       22.38501 546.1724      25.46556 474.2442       46.95185 201.3318 4.697400 187.3850 9.305387 13.94673       10.42381 
1 1 1 3   13 14 o 285.6792 5.227091 1074.204       34.83363 1048.604      40.00602 1154.447       70.82925 278.9427 5.326316 292.4156 8.995569 -13.47290      10.45418 
1 1 1 3   13 15 o 195.6201 5.585617 481.9571       22.91527 463.0572      25.18321 572.9379       55.25292 185.3611 5.045556 205.8791 9.966887 -20.51797      11.17123 
1 1 1 3   13 16 f 256.6817 5.473936 902.2794       32.80602 914.4894      38.04692 866.8912       64.77255 260.3694 5.426830 252.9941 9.508176 7.375229       10.94787 
1 1 1 3   13 17 o 51.74674 13.25000 24.56751       19.83833 18.44733      22.12304 49.69172       44.82381 41.08412 15.15534 62.40936 21.73857 -21.32524      26.50000 
1 1 1 3   13 18 o 67.26770 14.81058 65.60419       26.22052 71.19957      28.75722 38.02028       63.84987 70.54376 15.55734 63.99165 25.20679 6.552116       29.62116 
1 1 1 3   13 19 f 83.20532 15.62044 107.7555       30.75212 112.8462      33.70675 82.47749       75.11027 89.93130 13.91947 76.47935 27.96857 13.45194       31.24088 
1 1 1 3   13 20 o 190.4662 10.91005 460.9831       45.63046 435.5333      50.79000 567.4990       103.9066 178.9562 10.54018 201.9763 19.10554 -23.02010      21.82011 
1 1 1 3   13 21 f 50.85815 15.46993 18.33487       30.29768 22.88590      32.71442 -9.098130      80.31954 46.24254 18.09532 55.47376 25.09649 -9.231220      30.93985 
1 1 1 3   13 22 o 97.59870 15.37007 165.8764       29.96775 171.9888      32.44285 130.3406       78.22540 110.6346 10.89042 84.56280 28.74639 26.07181       30.74014 
1 1 1 3   13 23 o 60.44569 16.20445 49.11461       28.65676 41.19997      31.27376 90.55598       71.56186 51.69034 18.14930 69.20105 26.85034 -17.51071      32.40891 
1 1 1 3   13 24 o 68.78617 13.73167 102.5396       30.09326 117.1577      33.03353 31.21677       72.96655 86.24029 14.22530 51.33205 23.49203 34.90824       27.46334 
1 1 1 3   15 0  o 181.6841 3.027107 444.7346       14.80629 454.8372      20.94410 434.6411       20.93443 183.7482 4.233067 179.6200 4.328356 4.128204       6.054215 
1 1 1 3   15 1  o 396.5747 4.466741 2120.090       47.69286 2143.979      68.05553 2097.035       66.85622 398.7677 6.338114 394.3817 6.295666 4.385986       8.933482 
1 1 1 3   15 2  o 177.8368 3.021159 425.8465       14.46226 439.6020      20.74992 412.8517       20.16795 180.6280 4.266268 175.0456 4.278852 5.582367       6.042319 
1 1 1 3   15 3  o 435.9042 4.854499 2561.940       56.93856 2618.151      82.41405 2510.607       78.75696 440.4626 6.948783 431.3457 6.780787 9.116913       9.708999 
1 1 1 3   15 4  o 457.6239 5.068448 2825.610       62.42947 2868.048      89.82500 2785.956       86.82842 460.9347 7.237265 454.3131 7.097792 6.621521       10.13690 
1 1 1 3   15 5  o 134.5844 4.972045 244.2112       18.01827 244.2112      18.01827 0.000000       0.000000 134.5844 4.972045 ?        ?        ?              ?        
1 1 1 3   15 6  o 117.7431 3.881494 187.3399       12.25571 190.7529      16.68338 183.3391       18.06313 118.9218 5.210015 116.5645 5.754973 2.357368       7.762988 
1 1 1 3   15 7  o 282.9093 3.563321 1076.794       27.06403 1110.268      40.08979 1048.764       36.68506 286.9261 5.188959 278.8924 4.885051 8.033722       7.126642 
1 1 1 3   15 8  o 297.9243 3.748600 1197.156       30.01934 1191.936      43.71395 1201.815       41.29662 297.2952 5.460705 298.5533 5.136995 -1.258118      7.497200 
1 1 1 3   15 9  o 189.2881 3.419122 480.2264       16.92456 494.2409      27.61341 471.7941       21.41936 191.4626 5.356149 187.1135 4.251264 4.349136       6.838244 
1 1 1 3   15 10 o 234.3295 3.585125 734.0905       22.26113 772.7678      35.11358 708.0982       28.78519 239.4290 5.446467 229.2299 4.663527 10.19910       7.170250 
1 1 1 3   15 11 o 241.2983 3.703925 785.0569       24.02072 780.0029      34.99937 789.5574       33.02721 240.5552 5.403337 242.0413 5.067563 -1.486053      7.407850 
1 1 1 3   15 12 o 358.2928 6.156329 1730.583       59.39410 0.000000      0.000000 1730.583       59.39410 ?        ?        358.2928 6.156329 ?              ?        
1 1 1 3   15 13 o 380.6275 4.548197 1947.575       46.49945 1874.933      63.15017 2033.605       68.72301 372.9109 6.289065 388.3442 6.572066 -15.43335      9.096395 
1 1 1 3   15 14 o 164.4104 4.052008 364.4671       17.65845 363.7490      23.01902 365.4942       27.52690 164.2411 5.205009 164.5797 6.211517 -0.3385620     8.104015 
1 1 1 3   15 15 o 99.94702 8.696719 127.1048       19.03912 121.1950      21.19908 151.7527       43.29334 94.63502 8.319205 105.2590 15.27490 -10.62401      17.39344 
1 1 1 3   15 16 o 62.04364 12.49421 24.71641       19.39791 7.253918      21.20946 114.0384       47.96848 35.29880 14.31552 88.78848 20.48138 -53.48967      24.98842 
1 1 1 3   15 17 o 185.7821 8.546741 533.1527       32.13670 573.6191      36.10889 378.9854       70.47953 205.9524 6.511243 165.6118 15.80477 40.34058       17.09348 
1 1 1 3   15 18 f 59.73770 16.09140 41.30554       27.69184 35.30460      30.04899 75.11620       71.32584 50.16611 17.77309 69.30928 26.83003 -19.14317      32.18281 
1 1 1 3   15 19 o 77.37366 18.28115 75.11579       38.00901 68.51778      42.47959 101.6061       85.11729 69.22501 20.97613 85.52229 29.94669 -16.29728      36.56231 
1 1 1 3   15 20 o 90.15971 14.65443 148.9570       28.81657 161.7508      31.44777 81.95715       71.96571 107.6686 10.84719 72.65078 27.22769 35.01787       29.30885 
1 1 1 3   15 21 o 120.1205 13.74120 238.8413       29.81050 247.4220      32.58932 194.8653       73.77721 133.6403 9.056374 106.6006 25.94733 27.03977       27.48240 
1 1 1 3   15 22 f 56.48550 15.68673 18.82855       26.96067 1.964313      29.24052 114.4985       69.64495 36.39368 15.86659 76.57732 27.06558 -40.18364      31.37346 
1 1 1 3   15 23 o 129.1023 13.73320 326.5253       31.41156 352.6440      34.94791 216.7074       71.66079 157.6633 8.232033 100.5414 26.20376 57.12198       27.46641 
1 1 1 3   17 0  o 185.6047 3.370409 464.5479       16.83700 482.6664      23.90905 446.7232       23.71438 189.1995 4.693091 182.0099 4.838752 7.189545       6.740818 
1 1 1 3   17 1  o 312.8677 3.844132 1320.342       32.38017 1329.013      46.24956 1312.005       45.34868 313.8710 5.472339 311.8644 5.400270 2.006653       7.688264 
1 1 1 3   17 2  o 214.1843 3.312716 616.8875       19.08061 657.6719      27.78069 580.4673       26.25226 220.8694 4.671152 207.4992 4.698583 13.37025       6.625432 
1 1 1 3   17 3  o 74.34997 5.790778 74.81374       11.57984 71.38691      16.48164 78.15440       16.27309 72.65783 8.424314 76.04211 7.947537 -3.384277      11.58156 
1 1 1 3   17 4  o 616.6226 6.710960 5149.702       111.4150 5095.305      156.2115 5206.026       158.9534 613.3212 9.458921 619.9238 9.522435 -6.602600      13.42192 
1 1 1 3   17 5  o 612.8379 6.668685 5080.809       110.0445 5077.211      155.7272 5084.396       155.5260 612.6183 9.440415 613.0575 9.421464 -0.4392090     13.33737 
1 1 1 3   17 6  o 301.4037 3.829080 1220.657       31.01141 1290.197      45.69722 1161.292       42.22215 309.3275 5.486404 293.4799 5.342918 15.84763       7.658160 
1 1 1 3   17 7  o 88.44826 5.781682 106.1350       13.68058 110.9765      18.59067 100.4165       20.20446 90.67586 7.614126 86.22065 8.702669 4.455208       11.56336 
1 1 1 3   17 8  o 359.0402 6.114737 1738.301       59.11589 1738.301      59.11589 0.000000       0.000000 359.0402 6.114737 ?        ?        ?              ?        
1 1 1 3   17 9  o 399.8849 6.650034 2156.586       71.60482 2156.586      71.60482 0.000000       0.000000 399.8849 6.650034 ?        ?        ?              ?        
1 1 1 3   17 10 o 344.2065 4.262580 1594.853       39.47466 1510.924      54.75870 1685.656       56.95741 334.7886 6.074339 353.6243 5.981701 -18.83572      8.525160 
1 1 1 3   17 11 o 265.1982 3.869989 950.0308       27.45308 928.3570      41.00214 967.6425       36.96067 262.4328 5.802365 267.9637 5.122482 -5.530945      7.739978 
1 1 1 3   17 12 o 462.1432 5.339542 2882.240       66.40595 2899.483      95.69923 2866.228       92.22169 463.4575 7.668583 460.8290 7.432071 2.628479       10.67908 
1 1 1 3   17 13 o 238.7688 4.013111 771.9369       25.68431 733.6874      37.58327 805.4543       35.18174 233.1711 5.985996 244.3664 5.346781 -11.19528      8.026221 
1 1 1 3   17 14 o 172.1642 4.453160 400.5734       20.62729 394.5100      29.64170 406.2666       28.72277 170.8873 6.441839 173.4411 6.150225 -2.553757      8.906321 
1 1 1 3   17 15 o 175.5160 6.890103 416.4082       32.56311 0.000000      0.000000 416.4082       32.56311 ?        ?        175.5160 6.890103 ?              ?        
1 1 1 3   17 16 o 206.5717 5.059286 583.2817       27.83492 630.8578      37.74584 526.5694       41.21105 215.9937 6.489998 197.1497 7.763080 18.84401       10.11857 
1 1 1 3   17 17 o 197.4308 12.14128 544.5374       64.40176 580.7907      95.01875 513.7312       87.58983 203.4019 17.34886 191.4597 16.98998 11.94217       24.28255 
1 1 1 3   17 18 o 58.86467 16.62265 27.94522       29.29379 13.75772      31.58227 115.3356       78.38306 41.32032 17.18533 76.40902 28.45899 -35.08870      33.24530 
1 1 1 3   17 19 o 161.3244 8.933971 350.7627       31.28394 338.7178      34.88156 400.2847       70.72839 156.8785 8.257511 165.7704 15.84541 -8.891937      17.86794 
1 1 1 3   17 20 o 142.2109 10.34831 292.1839       29.18183 290.9999      31.98350 298.0677       71.29795 145.1321 8.184255 139.2897 19.00968 5.842422       20.69661 
1 1 1 3   17 21 o 61.26973 13.08374 71.30600       26.26672 87.99579      28.67087 -15.87710      65.52871 75.72619 14.59000 46.81326 21.72254 28.91293       26.16747 
1 1 1 3   17 22 o 51.61898 15.24558 28.74772       27.68679 15.66404      30.44825 91.22149       66.53442 39.66765 16.71106 63.57032 25.50395 -23.90267      30.49117 
1 1 1 3   19 0  o 429.7512 4.920761 2492.309       56.93919 2470.775      80.04051 2514.371       81.01673 427.8737 6.947217 431.6286 6.970777 -3.754822      9.841521 
1 1 1 3   19 1  o 330.4342 4.104311 1472.301       36.51694 1487.449      51.87155 1457.417       51.41696 332.1195 5.800313 328.7489 5.808430 3.370667       8.208623 
1 1 1 3   19 2  o 109.8731 4.858197 165.0015       14.18516 186.0819      19.47906 141.2001       20.69808 117.4651 6.158512 102.2811 7.515388 15.18404       9.716394 
1 1 1 3   19 3  o 301.1468 3.877011 1222.365       31.43597 1239.537      44.77207 1205.668       44.14884 303.2325 5.483377 299.0611 5.482467 4.171387       7.754023 
1 1 1 3   19 4  o 296.8908 3.883332 1188.222       31.04442 1184.554      43.87803 1191.898       43.92889 296.4317 5.497169 297.3499 5.486546 -0.9182129     7.766664 
1 1 1 3   19 5  f 221.2925 3.609031 659.6182       21.49060 670.7316      31.06605 649.4190       29.76057 223.0757 5.171903 219.5094 5.035060 3.566269       7.218062 
1 1 1 3   19 6  o 509.8116 8.041126 3507.764       110.3850 3507.764      110.3850 0.000000       0.000000 509.8116 8.041126 ?        ?        ?              ?        
1 1 1 3   19 7  o 464.7582 7.455298 2913.653       93.29868 2913.653      93.29868 0.000000       0.000000 464.7582 7.455298 ?        ?        ?              ?        
1 1 1 3   19 8  o 348.7794 4.327499 1639.838       40.63056 1636.763      56.77583 1643.067       58.17011 348.4493 6.051186 349.1095 6.188064 -0.6602173     8.654998 
1 1 1 3   19 9  o 507.0991 7.982718 3470.122       109.0001 0.000000      0.000000 3470.122       109.0001 ?        ?        507.0991 7.982718 ?              ?        
1 1 1 3   19 10 o 262.0701 3.764711 924.1092       26.41934 944.9277      39.69403 907.5522       35.39894 264.6945 5.569252 259.4457 5.067111 5.248810       7.529421 
1 1 1 3   19 11 o 72.75208 7.967368 72.47718       14.17631 74.27927      25.10300 71.63335       17.17761 72.74756 13.30548 72.75660 8.768129 -0.9040833E-02 15.93474 
1 1 1 3   19 12 o 101.2838 6.606291 140.5128       16.39419 135.6483      30.00051 142.5839       19.57555 99.86799 11.15627 102.6995 7.078842 -2.831528      13.21258 
1 1 1 3   19 13 o 173.5048 5.687102 406.3708       26.56966 0.000000      0.000000 406.3708       26.56966 ?        ?        173.5048 5.687102 ?              ?        
1 1 1 3   19 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 15 o 205.0755 7.237649 574.7534       39.96637 0.000000      0.000000 574.7534       39.96637 ?        ?        205.0755 7.237649 ?              ?        
1 1 1 3   19 16 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 17 o 207.2566 7.708269 585.6815       43.01785 0.000000      0.000000 585.6815       43.01785 ?        ?        207.2566 7.708269 ?              ?        
1 1 1 3   19 18 o 166.6752 8.272655 337.0277       29.24137 308.1292      32.02330 482.0100       71.72758 149.8690 7.935438 183.4814 14.51813 -33.61246      16.54531 
1 1 1 3   19 19 o 124.5260 15.74340 275.5670       48.16270 168.9552      74.73277 351.3024       62.98796 95.04543 27.58092 154.0066 15.18920 -58.96114      31.48681 
1 1 1 3   19 20 o 56.21339 14.66511 52.19252       27.62160 57.02297      30.89393 32.94579       61.66769 58.72717 17.90927 53.69960 23.22758 5.027576       29.33022 
1 1 1 3   19 21 o 46.02547 14.16882 27.45284       29.23410 28.33982      32.81747 24.04370       64.33866 43.90016 17.80600 48.15079 22.04469 -4.250626      28.33764 
1 1 1 3   21 0  o 270.7054 3.925375 987.8977       28.59611 994.0952      39.83502 981.3083       41.07551 271.5870 5.447192 269.8237 5.653527 1.763306       7.850749 
1 1 1 3   21 1  f 544.1960 6.063470 3997.361       88.85035 4007.698      125.6939 3987.037       125.6129 544.9006 8.566701 543.4915 8.583373 1.409058       12.12694 
1 1 1 3   21 2  f 239.1831 3.840425 769.7961       24.69886 749.8384      33.87372 792.4516       36.09050 235.8825 5.333149 242.4837 5.527476 -6.601227      7.680851 
1 1 1 3   21 3  o 392.2750 4.663326 2074.577       49.25294 2092.853      70.21783 2056.876       69.10387 393.9734 6.619071 390.5767 6.570716 3.396698       9.326652 
1 1 1 3   21 4  o 352.1063 4.379279 1671.043       41.51452 1649.473      58.12327 1693.508       59.31568 349.7888 6.171073 354.4237 6.215318 -4.634888      8.758557 
1 1 1 3   21 5  o 233.0191 3.929157 731.8736       24.65247 737.5919      34.83134 726.1340       34.89646 233.9324 5.529634 232.1058 5.583570 1.826630       7.858315 
1 1 1 3   21 6  o 139.0705 4.909999 261.5013       18.32988 283.7206      25.83428 238.9763       26.01136 145.0457 6.614668 133.0953 7.257998 11.95039       9.819999 
1 1 1 3   21 7  o 266.5099 5.613411 958.0775       40.28317 958.0775      40.28317 0.000000       0.000000 266.5099 5.613411 ?        ?        ?              ?        
1 1 1 3   21 8  o 289.5035 4.172943 1130.135       32.47316 1117.996      44.52083 1143.934       47.46877 287.8607 5.743776 291.1464 6.054986 -3.285767      8.345886 
1 1 1 3   21 9  o 148.3859 6.527971 297.4308       26.08280 297.4308      26.08280 0.000000       0.000000 148.3859 6.527971 ?        ?        ?              ?        
1 1 1 3   21 10 o 357.0780 4.465792 1714.983       42.76747 1802.988      63.96158 1643.823       57.51535 365.2905 6.502756 348.8655 6.122691 16.42502       8.931583 
1 1 1 3   21 11 o 150.4789 5.154505 302.5721       19.86625 318.1608      34.17913 294.6187       24.41373 153.2701 8.281713 147.6876 6.139129 5.582474       10.30901 
1 1 1 3   21 12 o 147.6611 5.752790 295.2270       22.06614 297.0356      36.39225 294.1755       27.74902 147.8841 9.139112 147.4381 6.989636 0.4460297      11.50558 
1 1 1 3   21 13 o 82.39095 11.66895 105.8555       23.55962 87.66385      41.37726 114.5826       28.65888 74.54974 20.13766 90.23216 11.79545 -15.68242      23.33791 
1 1 1 3   21 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 15 o 88.99968 10.73942 113.5743       25.13171 116.5571      37.12666 111.0515       34.14365 89.26955 16.03476 88.72981 14.29081 0.5397415      21.47885 
1 1 1 3   21 16 o 180.7178 7.581975 447.8258       36.89493 0.000000      0.000000 447.8258       36.89493 ?        ?        180.7178 7.581975 ?              ?        
1 1 1 3   21 17 o 172.4837 5.970224 410.7405       27.20811 313.0256      37.20961 523.0167       39.88581 150.0365 9.210321 194.9308 7.598965 -44.89430      11.94045 
1 1 1 3   21 18 o 79.66602 12.13472 100.8285       26.59736 151.2600      38.54446 54.98714       36.74848 101.0225 14.16969 58.30954 19.70343 42.71296       24.26943 
1 1 1 3   21 19 o 113.8421 8.756283 193.1883       26.48523 233.5634      38.41375 156.6038       36.56606 126.0966 11.31357 101.5877 13.36761 24.50896       17.51257 
1 1 1 3   21 20 o 88.17829 14.06052 169.2909       32.48841 192.1719      38.40122 111.6733       60.93758 110.4194 12.91565 65.93716 24.97956 44.48225       28.12103 
1 1 1 3   23 0  o 126.4219 5.540612 217.0346       18.70396 225.5465      25.18617 206.5679       27.92871 129.2328 7.237789 123.6109 8.390943 5.621948       11.08122 
1 1 1 3   23 1  o 238.9706 4.114074 771.5773       26.40899 788.6497      36.35121 752.4949       38.43147 241.7939 5.583291 236.1473 6.043947 5.646606       8.228148 
1 1 1 3   23 2  o 258.7446 4.142173 900.7562       28.76694 873.5396      38.91669 933.5420       42.71301 254.4644 5.679701 263.0249 6.030870 -8.560547      8.284347 
1 1 1 3   23 3  o 88.33179 7.448070 107.9421       17.34891 125.5513      23.72283 87.69637       25.43689 96.31063 9.147636 80.35296 11.75652 15.95767       14.89614 
1 1 1 3   23 4  o 254.5140 4.011657 874.0302       27.48934 868.4743      38.52308 879.7943       39.23840 253.6935 5.639339 255.3345 5.707138 -1.641037      8.023314 
1 1 1 3   23 5  o 215.1447 4.139518 623.4963       23.95386 655.9262      34.88116 594.5529       32.95277 220.4253 5.876870 209.8641 5.831366 10.56116       8.279036 
1 1 1 3   23 6  o 386.3714 6.769701 2017.583       70.43002 2017.583      70.43002 0.000000       0.000000 386.3714 6.769701 ?        ?        ?              ?        
1 1 1 3   23 7  o 246.2974 4.346913 818.3168       28.81115 855.5563      41.53844 783.7922       39.99558 251.6933 6.129078 240.9016 6.165793 10.79170       8.693826 
1 1 1 3   23 8  o 106.4304 11.03024 154.1768       31.61072 154.1768      31.61072 0.000000       0.000000 106.4304 11.03024 ?        ?        ?              ?        
1 1 1 3   23 9  o 139.9401 9.327803 266.0887       35.14834 266.0887      35.14834 0.000000       0.000000 139.9401 9.327803 ?        ?        ?              ?        
1 1 1 3   23 10 o 156.6461 5.971441 330.2262       25.07866 370.2484      37.51859 297.9013       33.71821 165.1532 8.436768 148.1391 8.453011 17.01408       11.94288 
1 1 1 3   23 11 o ?        ?        -150.5422      34.27289 0.000000      0.000000 -150.5422      34.27289 ?        ?        ?        ?        ?              ?        
1 1 1 3   23 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   23 13 o 94.07298 11.43928 165.7202       24.51373 50.19229      42.46054 223.4779       30.02253 60.34274 21.14989 127.8032 8.724131 -67.46046      22.87856 
1 1 1 3   23 14 o 70.08181 12.22611 77.39615       22.78668 62.06496      37.12636 86.66181       28.86243 63.50335 19.67897 76.66028 14.51377 -13.15693      24.45223 
1 1 1 3   23 15 o 98.75226 10.12525 146.4644       24.29155 131.6939      41.45882 154.1860       29.97592 92.72449 17.23955 104.7800 10.62455 -12.05553      20.25051 
1 1 1 3   23 16 o 104.3748 10.17664 156.4068       27.44878 179.4163      46.89340 144.4141       33.85458 108.9259 15.98811 99.82359 12.59508 9.102318       20.35327 
1 1 1 3   23 17 o 63.28497 14.44347 66.14990       27.57791 97.23985      45.69450 48.33736       34.58731 72.66453 21.69660 53.90540 19.07125 18.75912       28.88694 
1 1 1 3   23 18 f 45.74642 13.11765 30.80206       27.13219 2.025200      41.06201 53.10287       36.14754 38.68703 17.67396 52.80581 19.38872 -14.11878      26.23530 
1 1 1 3   25 0  o 388.4314 4.990122 2040.063       52.17656 2095.803      73.72877 1984.141       73.84899 393.7707 6.953608 383.0921 7.159092 10.67856       9.980244 
1 1 1 3   25 1  o 428.0920 5.271027 2478.588       60.74539 2551.605      86.26052 2406.755       85.55769 434.3670 7.375168 421.8170 7.532716 12.54999       10.54205 
1 1 1 3   25 2  o 357.6904 4.826615 1726.517       46.43657 1842.001      67.13688 1620.594       64.29755 369.1530 6.754160 346.2278 6.896825 22.92526       9.653231 
1 1 1 3   25 3  o 453.8887 5.477392 2788.222       66.92155 2878.467      95.99768 2702.903       93.34097 461.0336 7.732943 446.7438 7.759439 14.28979       10.95478 
1 1 1 3   25 4  o 140.4311 6.432042 268.7449       24.11447 275.4418      32.30903 260.3223       36.23338 142.5002 8.420254 138.3620 9.725429 4.138214       12.86408 
1 1 1 3   25 5  o 147.0852 6.353187 296.4571       24.91144 321.8246      33.94616 266.8526       36.67169 154.0722 8.182443 140.0982 9.721087 13.97397       12.70637 
1 1 1 3   25 6  o 79.53111 11.99707 90.18188       24.54399 86.56223      31.73368 95.57091       38.72062 77.80550 15.68859 81.25671 18.15453 -3.451218      23.99414 
1 1 1 3   25 7  o 38.34828 17.08234 -4.561950      35.64810 -4.561950     35.64810 0.000000       0.000000 38.34828 17.08234 ?        ?        ?              ?        
1 1 1 3   25 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   25 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   25 10 f 57.75033 12.66655 39.68923       24.72902 83.47536      36.92112 4.065603       33.30241 74.69792 18.46203 40.80274 17.34704 33.89518       25.33311 
1 1 1 3   25 11 o 54.46126 12.42722 44.91096       21.79400 21.95978      36.34189 57.80042       27.23467 47.12356 18.86899 61.79896 16.17728 -14.67540      24.85444 
1 1 1 3   25 12 o 58.15115 12.90099 47.33428       21.72147 64.51476      37.00719 38.30448       26.82917 64.79131 19.56632 51.51100 16.81966 13.28032       25.80197 
1 1 1 3   25 13 o 95.23114 9.115083 126.4916       22.82417 151.2556      37.51443 111.9374       28.75947 101.9983 13.65909 88.46394 12.07345 13.53440       18.23017 
1 1 1 3   25 14 o 60.65417 12.60683 62.89521       23.18100 35.37205      39.40598 77.45968       28.66555 50.82698 19.86802 70.48135 15.52388 -19.65438      25.21367 
1 1 1 3   25 15 o 71.27961 13.27384 86.22530       24.89117 93.79595      42.87259 82.37581       30.57133 71.64665 20.91884 70.91257 16.34570 0.7340851      26.54769 
1 1 1 3   25 16 o 36.34386 11.90152 -5.710455      27.40887 -17.82601     44.49782 1.696516       34.79264 36.23328 17.15376 36.45444 16.50252 -0.2211647     23.80304 
1 1 1 3   27 0  o 299.4671 5.604261 1222.775       44.79721 1320.039      61.14715 1110.091       65.81581 312.5341 7.266001 286.4001 8.534413 26.13397       11.20852 
1 1 1 3   27 1  o 263.3566 6.029981 924.6183       41.98766 871.9326      53.82700 1006.498       67.10301 253.9990 7.870182 272.7142 9.137993 -18.71524      12.05996 
1 1 1 3   27 2  o 152.3414 10.73924 314.6008       44.05294 314.6008      44.05294 0.000000       0.000000 152.3414 10.73924 ?        ?        ?              ?        
1 1 1 3   27 3  o 246.8100 7.690914 823.5886       51.11214 823.5886      51.11214 0.000000       0.000000 246.8100 7.690914 ?        ?        ?              ?        
1 1 1 3   27 4  o 155.9259 8.591822 369.2592       32.69864 441.8440      41.50861 250.5501       53.08325 179.3653 8.594415 132.4866 14.87997 46.87871       17.18364 
1 1 1 3   27 5  o 85.24201 12.35242 108.7904       27.00285 104.0751      34.95494 115.7687       42.52356 83.56958 16.11791 86.91444 18.72277 -3.344864      24.70484 
1 1 1 3   27 6  o 43.17207 12.50875 2.381928       26.25199 33.69093      34.06094 -43.43126      41.20190 51.61877 18.84077 34.72536 16.45905 16.89340       25.01749 
1 1 1 3   27 7  f 54.86618 13.44336 43.22266       25.29386 57.54698      32.75090 22.05003       39.81746 61.31870 18.38190 48.41365 19.62146 12.90505       26.88673 
1 1 1 3   27 8  o 144.4039 7.049371 295.2542       26.73238 354.8546      36.95690 229.8485       38.71494 160.5750 8.547400 128.2328 11.21234 32.34225       14.09874 
1 1 1 3   27 9  o 74.36440 12.63387 85.24351       24.91104 88.71909      36.92873 82.34135       33.74518 75.55145 18.33774 73.17734 17.38349 2.374107       25.26774 
1 1 1 3   27 10 o 57.08589 12.65709 48.40070       24.92717 81.03466      33.70964 9.024959       37.02829 71.63533 17.60205 42.53645 18.19273 29.09888       25.31418 
1 1 1 3   27 11 o 44.33948 12.46350 9.293010       26.12992 49.36221      35.62855 -37.34388      38.43772 55.80290 19.38416 32.87605 15.67193 22.92685       24.92699 
1 1 1 3   27 12 o 44.81963 12.80384 24.68062       23.81480 25.62481      35.36789 23.89743       32.21140 45.54478 18.48080 44.09448 17.72606 1.450306       25.60767 
1 1 1 3   27 13 o 177.0586 5.972697 449.0441       28.23294 385.5703      39.94727 512.3918       39.90757 163.7531 9.059706 190.3640 7.785509 -26.61090      11.94539 
1 1 1 3   27 14 o 61.92025 13.73723 77.89235       26.37467 61.66294      41.01276 89.33729       34.44090 54.72735 20.54588 69.11314 18.24040 -14.38580      27.47445 
1 1 1 3   29 0  o 113.6346 9.134079 187.0574       26.43288 198.4461      33.16209 167.2150       43.77232 119.4916 10.30673 107.7776 15.08300 11.71407       18.26816 
1 1 1 3   29 1  o 95.37720 11.77762 150.5901       26.43076 183.0254      32.86563 91.20607       44.47007 114.6751 10.64362 76.07926 21.01340 38.59587       23.55524 
1 1 1 3   29 2  o 79.36877 12.02307 89.12624       24.23958 71.32568      30.08257 122.0774       40.92924 68.78262 16.46200 89.95492 17.52767 -21.17230      24.04613 
1 1 1 3   29 3  o 40.62245 12.43057 1.019854       24.42804 -5.765427     31.19839 11.77093       39.27122 36.17178 16.05395 45.07311 18.98282 -8.901329      24.86115 
1 1 1 3   29 4  o 63.36535 13.30537 59.55091       23.87706 46.42747      29.98349 82.29934       39.47608 55.21524 17.76123 71.51546 19.81591 -16.30022      26.61075 
1 1 1 3   29 5  o 50.41623 13.30580 31.32451       24.31382 17.45031      31.41921 52.03608       38.38822 42.91110 17.41635 57.92137 20.12083 -15.01027      26.61160 
1 1 1 3   29 6  f 78.76186 12.68858 98.94697       25.69547 99.62273      32.47607 97.81578       42.01756 80.62648 15.52227 76.89723 20.07635 3.729248       25.37717 
1 1 1 3   29 7  o 46.31402 12.95031 25.33645       25.21634 40.55321      31.00902 -4.371638      43.32756 51.42858 18.07148 41.19945 18.55434 10.22913       25.90062 
1 1 1 3   29 8  o 36.52760 12.02116 -21.53256      25.65281 -33.44211     30.55410 6.916301       47.22307 28.73213 13.77109 44.32306 19.70762 -15.59093      24.04232 
1 1 1 3   29 9  o 54.61874 13.04363 51.62753       26.54650 77.95026      33.35334 6.131452       43.84912 67.15732 18.05447 42.08017 18.83033 25.07715       26.08726 
1 1 1 3   29 10 o 74.65997 13.88635 104.2022       27.90277 97.13018      36.09673 114.7017       43.98251 72.95132 18.38328 76.36861 20.81772 -3.417297      27.77270 
1 1 1 3   29 11 o 47.51089 13.69012 40.09884       27.54569 37.73892      37.81408 42.76687       40.20692 46.66314 19.04251 48.35865 19.67385 -1.695507      27.38024 
1 1 1 3   31 0  o 91.74087 11.27197 139.9578       25.49979 163.9827      32.91333 103.8833       40.33114 105.8788 11.54462 77.60294 19.36365 28.27586       22.54394 
1 1 1 3   31 1  o 42.01611 12.54833 0.9266114      25.04767 -25.51143     31.40012 47.18343       41.53408 30.44864 14.41360 53.58359 20.54485 -23.13494      25.09667 
1 1 1 3   31 2  o 55.36406 13.54696 53.38206       24.95488 60.64231      32.62615 43.14639       38.73898 59.15430 18.46698 51.57383 19.82552 7.580475       27.09392 
1 1 1 3   31 3  o 82.70944 12.01760 122.1403       25.74944 150.9682      33.34557 79.56022       40.52605 100.2055 12.35843 65.21341 20.61457 34.99207       24.03521 
1 1 1 3   31 4  o 49.50808 13.34297 42.00147       25.19990 50.24346      31.78361 28.05032       41.35159 53.14882 18.31707 45.86733 19.40682 7.281487       26.68595 
1 1 1 3   31 5  o 39.32816 12.35945 9.722501       25.65715 3.787654      32.98402 18.81546       40.82737 36.30805 16.28350 42.34827 18.59762 -6.040218      24.71890 
1 1 1 3   31 6  o 41.92079 12.79093 21.73834       26.36287 28.01742      33.47647 11.48645       42.77539 43.10332 17.79051 40.73825 18.38286 2.365070       25.58187 
1 1 1 4   0  0  f 194.7173 3.162095 511.0294       16.55394 521.1285      23.78787 501.5462       23.05113 196.5827 4.499258 192.8519 4.444329 -0.000000      0.000000 
1 1 1 4   0  1  o 227.4853 3.653823 697.8284       22.35488 702.8656      31.68205 692.8339       31.54753 228.3047 5.159602 226.6660 5.174960 -0.000000      0.000000 
1 1 1 4   0  2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  3  o 1862.846 39.52239 47062.62       1980.442 0.000000      0.000000 47062.62       1980.442 1862.846 39.52239 1862.846 39.52239 -0.000000      0.000000 
1 1 1 4   0  4  o 443.3928 6.796997 2651.437       81.06345 2650.960      114.4218 2651.917       114.8616 443.3541 9.594754 443.4315 9.630025 -0.000000      0.000000 
1 1 1 4   0  5  o 634.2909 9.585459 5426.379       163.5447 5432.442      231.4419 5420.331       231.1328 634.6452 13.55736 633.9366 13.55441 -0.000000      0.000000 
1 1 1 4   0  6  o 164.5339 3.759483 365.1239       16.60335 346.8650      23.02301 384.9106       23.96680 160.2373 5.349503 168.8306 5.283719 -0.000000      0.000000 
1 1 1 4   0  7  o 312.1516 5.189359 1314.203       43.56255 1306.177      61.40585 1322.336       61.80965 311.1906 7.337455 313.1125 7.340267 -0.000000      0.000000 
1 1 1 4   0  8  o 1011.731 15.21711 13814.39       414.0676 13668.65      579.5236 13966.39       591.8304 1006.286 21.40967 1017.175 21.63026 -0.000000      0.000000 
1 1 1 4   0  9  o 930.9520 14.05010 11682.33       351.3770 11330.30      482.2177 12080.83       513.0595 916.0462 19.56996 945.8579 20.16528 -0.000000      0.000000 
1 1 1 4   0  10 o 138.8690 5.586756 265.2459       20.48077 233.8496      30.07598 292.3939       27.96722 130.9116 8.617828 146.8264 7.111989 -0.000000      0.000000 
1 1 1 4   0  11 o 116.7218 7.024536 183.5993       21.30896 208.2545      34.29567 168.0960       27.19545 122.9329 10.53886 110.5108 9.290254 -0.000000      0.000000 
1 1 1 4   0  12 o 572.7494 9.078865 4425.179       139.5632 4203.298      189.9751 4685.328       205.7064 557.2245 12.67625 588.2742 13.00061 -0.000000      0.000000 
1 1 1 4   0  13 o 163.7241 6.824256 373.3818       28.32426 340.1100      46.93556 392.4388       35.52144 157.4273 11.20265 170.0209 7.796318 -0.000000      0.000000 
1 1 1 4   0  14 f 381.6975 6.987287 1975.609       71.49786 1911.770      104.1258 2032.560       98.34788 375.7529 10.30890 387.6421 9.434789 -0.000000      0.000000 
1 1 1 4   0  15 o 253.4891 6.864075 833.3038       43.63260 975.2189      79.51663 772.1649       52.19184 268.0865 11.05815 238.8917 8.135068 -0.000000      0.000000 
1 1 1 4   0  16 o 65.61211 18.89762 66.96564       31.12096 124.1989      60.23535 46.12512       36.34807 83.22688 29.52486 47.99735 23.59583 -0.000000      0.000000 
1 1 1 4   0  17 o 302.5547 7.648911 1247.319       59.72474 1211.054      98.36720 1268.494       75.16528 298.7845 12.27376 306.3249 9.131158 -0.000000      0.000000 
1 1 1 4   0  18 o 206.0698 8.540782 540.1073       43.37969 681.3140      82.02646 485.2801       51.11218 223.2827 13.76299 188.8569 10.11731 -0.000000      0.000000 
1 1 1 4   0  19 o 122.1607 15.81434 204.5783       41.20034 261.3496      83.80005 186.4811       47.31361 130.5034 27.02402 113.8179 16.43399 -0.000000      0.000000 
1 1 1 4   0  20 o 368.9597 8.756989 1844.601       83.66437 1872.696      138.4069 1828.425       105.0243 370.7122 13.91001 367.2073 10.64195 -0.000000      0.000000 
1 1 1 4   0  21 o 58.04885 24.10905 60.12908       59.14143 21.15255      127.7066 70.77038       66.72815 57.41846 36.75014 58.67924 31.21558 -0.000000      0.000000 
1 1 1 4   0  22 o 119.9068 35.15987 232.4760       88.66372 369.0898      230.0868 208.6520       96.08421 131.8101 59.90519 108.0035 36.82706 -0.000000      0.000000 
1 1 1 4   0  23 f 47.06429 22.97803 -14.96772      71.72605 -228.1315     227.7654 8.498793       75.57104 51.33418 36.65227 42.79439 27.72309 -0.000000      0.000000 
1 1 1 4   0  24 o 47.57594 23.03039 4.003585       65.21039 -72.51725     198.3434 13.27740       69.04894 53.79844 37.54572 41.35345 26.68172 -0.000000      0.000000 
1 1 1 4   0  25 o 49.83740 22.95620 46.26540       62.68444 14.96650      163.1035 51.68955       67.89919 52.01289 35.74617 47.66191 28.81249 -0.000000      0.000000 
1 1 1 4   0  26 o 51.33813 21.74894 79.41439       52.48025 111.3037      84.24645 59.19268       67.08697 56.97580 33.19860 45.70046 28.10548 -0.000000      0.000000 
1 1 1 4   2  0  o 430.5409 5.609326 2520.756       62.15647 2582.533      77.77785 2411.573       103.4000 437.9305 6.595798 423.1513 9.074889 14.77914       11.21865 
1 1 1 4   2  1  o 1222.224 18.22636 20141.18       599.8381 20141.18      599.8381 0.000000       0.000000 1222.224 18.22636 ?        ?        ?              ?        
1 1 1 4   2  2  o 772.1735 8.169393 8033.810       169.8537 7998.013      239.0942 8070.283       241.3402 770.4385 11.52518 773.9085 11.58128 -3.469971      16.33879 
1 1 1 4   2  3  o 268.5084 3.064804 970.2530       22.15052 990.8195      31.85893 951.0083       30.81812 271.2609 4.361748 265.7559 4.306653 5.505005       6.129609 
1 1 1 4   2  4  o 1445.908 15.28001 28218.44       594.7023 27804.21      828.1401 28659.51       854.5538 1434.991 21.43242 1456.825 21.78455 -21.83423      30.56003 
1 1 1 4   2  5  o 1258.405 13.30386 21354.27       450.7937 21312.45      635.9900 21396.50       639.0582 1257.169 18.78768 1259.640 18.84129 -2.470703      26.60772 
1 1 1 4   2  6  o 1047.694 11.10368 14752.18       312.5531 15424.73      460.9327 14179.71       425.2535 1069.710 16.00251 1025.677 15.39763 44.03284       22.20737 
1 1 1 4   2  7  o 1549.870 16.39219 32447.80       684.0909 32412.01      965.7823 32483.84       969.1276 1549.019 23.15470 1550.722 23.20938 -1.703125      32.78438 
1 1 1 4   2  8  o 1967.826 20.82872 52393.43       1103.535 52877.71      1574.631 51926.01       1547.004 1976.718 29.58358 1958.934 29.32839 17.78320       41.65745 
1 1 1 4   2  9  o 1081.062 11.49509 15746.52       334.2402 16245.60      486.8403 15301.53       459.7005 1097.208 16.47837 1064.916 16.03158 32.29199       22.99018 
1 1 1 4   2  10 o 946.5023 10.12966 12095.99       258.0170 11872.01      357.6701 12339.01       372.5681 937.4094 14.17000 955.5953 14.47932 -18.18597      20.25931 
1 1 1 4   2  11 o 177.0635 3.924686 424.2324       18.62464 445.8860      25.56782 399.7531       27.18493 181.9068 5.219892 172.2202 5.862199 9.686523       7.849372 
1 1 1 4   2  12 o 495.7679 5.702943 3320.047       76.12222 3339.808      107.0434 3299.831       108.2733 497.2744 7.994299 494.2615 8.135443 3.012970       11.40589 
1 1 1 4   2  13 o 61.00942 10.55663 53.54081       17.16316 58.71654      22.69066 46.61983       26.23886 64.46731 13.50400 57.55154 16.22996 6.915771       21.11325 
1 1 1 4   2  14 o 170.4801 4.784558 392.8638       21.88367 398.3542      29.82462 386.4606       32.20912 171.7939 6.447389 169.1664 7.071007 2.627441       9.569116 
1 1 1 4   2  15 o 327.9081 4.791398 1451.185       42.26536 1529.461      59.93737 1373.766       59.60846 336.7230 6.610610 319.0932 6.937565 17.62985       9.582795 
1 1 1 4   2  16 f 326.6264 4.924665 1440.176       43.26789 1464.532      60.15440 1414.067       62.28107 329.5067 6.779846 323.7461 7.144439 5.760529       9.849331 
1 1 1 4   2  17 o 125.0316 7.698277 214.0366       25.55459 233.5607      34.46397 190.1927       38.08621 131.4972 9.733416 118.5659 11.92956 12.93134       15.39655 
1 1 1 4   2  18 o 302.0078 5.426696 1232.988       44.04147 1267.975      60.93196 1194.714       63.73032 306.5293 7.382266 297.4862 7.956021 9.043121       10.85339 
1 1 1 4   2  19 o 131.5401 8.461612 235.5914       29.93490 239.4097      41.54287 231.4675       43.17286 132.6881 11.62736 130.3922 12.29634 2.295898       16.92322 
1 1 1 4   2  20 o 97.24188 13.01173 134.5940       32.68547 132.7148      44.05252 136.8956       48.75244 96.67870 17.56936 97.80506 19.19735 -1.126358      26.02346 
1 1 1 4   2  21 o 105.2921 16.07165 162.1339       44.37408 130.3551      61.42992 196.8092       64.16848 93.90341 24.15657 116.6808 21.20500 -22.77737      32.14330 
1 1 1 4   2  22 f 225.2344 11.80110 694.1901       71.42497 636.5705      99.87323 754.5103       102.1868 215.5537 17.20720 234.9151 16.15476 -19.36140      23.60221 
1 1 1 4   2  23 o 119.2958 17.81285 229.4574       55.31854 222.4676      80.98803 235.5706       75.73986 116.5750 26.41230 122.0166 23.90776 -5.441574      35.62570 
1 1 1 4   2  24 o 64.77646 18.27742 57.89145       48.10321 52.34919      68.01095 63.43933       68.04548 63.38605 25.65987 66.16685 26.03511 -2.780800      36.55483 
1 1 1 4   2  25 o 52.62965 16.14631 23.29324       42.79567 2.065094      58.69425 47.38842       62.53234 47.53246 21.48326 57.72685 24.10979 -10.19439      32.29261 
1 1 1 4   2  26 o 41.34992 13.77666 -9.192242      40.01207 8.972665      49.85893 -42.05453      67.06182 42.65116 19.48121 40.04868 19.48508 2.602482       27.55333 
1 1 1 4   4  0  o 786.8485 10.20546 8394.593       206.6316 8517.446      257.8204 8173.962       345.5063 795.0782 12.04271 778.6187 16.47964 16.45953       20.41091 
1 1 1 4   4  1  o 904.7061 11.70455 11087.30       270.6529 11192.21      334.6752 10889.00       460.1245 911.1872 13.64057 898.2250 19.02422 12.96222       23.40910 
1 1 1 4   4  2  o 1375.720 17.80092 25737.39       626.3195 26022.21      775.4774 25203.01       1062.183 1387.845 20.75128 1363.595 28.92880 24.24939       35.60184 
1 1 1 4   4  3  o 773.9744 8.210447 8057.782       170.8758 8335.415      249.6789 7813.177       234.3579 786.4821 11.78989 761.4667 11.42998 25.01532       16.42089 
1 1 1 4   4  4  o 2485.210 26.34941 83551.66       1760.761 81085.91      2413.979 86354.93       2573.893 2446.365 36.64619 2524.056 37.87111 -77.69116      52.69881 
1 1 1 4   4  5  o 1015.911 10.76592 13909.35       294.4579 13771.28      412.0982 14053.39       420.8937 1010.768 15.14139 1021.055 15.30876 -10.28693      21.53184 
1 1 1 4   4  6  o 708.9649 7.587584 6768.534       144.8099 6878.566      207.7039 6664.461       201.9994 714.5668 10.79489 703.3630 10.66565 11.20386       15.17517 
1 1 1 4   4  7  o 610.3138 6.609960 5017.027       108.6217 5013.685      152.8815 5020.433       154.3578 610.1099 9.306008 610.5179 9.389595 -0.4080200     13.21992 
1 1 1 4   4  8  o 385.8212 4.524574 2005.118       46.98594 2021.341      65.66542 1988.097       67.25954 387.4225 6.294606 384.2200 6.501156 3.202454       9.049149 
1 1 1 4   4  9  o 221.1759 3.596318 654.5777       21.20464 630.5491      27.85848 687.6729       32.69448 216.3851 4.781308 225.9667 5.373369 -9.581543      7.192635 
1 1 1 4   4  10 o 357.0105 4.447206 1714.124       42.60221 1677.833      57.61739 1757.893       63.27673 352.8623 6.064079 361.1587 6.506727 -8.296356      8.894411 
1 1 1 4   4  11 o 567.6165 6.377661 4348.115       97.43770 4488.310      140.1422 4216.924       135.5671 576.4645 9.028444 558.7684 9.010297 17.69611       12.75532 
1 1 1 4   4  12 o 51.78946 10.42319 38.70430       15.85640 49.71749      20.25159 21.25647       25.49020 59.36216 13.02729 44.21677 16.27454 15.14539       20.84637 
1 1 1 4   4  13 o 405.6516 5.146901 2224.891       56.15442 2290.508      78.34465 2155.563       80.52909 411.8466 7.064647 399.4565 7.486863 12.39005       10.29380 
1 1 1 4   4  14 o 227.3346 4.761437 697.3502       28.60436 697.0186      37.05102 697.8393       45.00438 227.3186 6.053154 227.3505 7.351493 -0.3184509E-01 9.522874 
1 1 1 4   4  15 o 338.7476 4.980803 1551.239       45.25218 1586.537      61.73117 1510.238       66.53047 342.9565 6.684703 334.5387 7.385685 8.417755       9.961607 
1 1 1 4   4  16 o 161.0038 5.985847 347.3675       25.73849 331.1555      33.96667 369.2294       39.44375 156.6447 8.052928 165.3629 8.858430 -8.718185      11.97169 
1 1 1 4   4  17 o 340.6894 5.496269 1564.362       49.91590 1554.435      65.98322 1577.644       76.32394 339.4771 7.218380 341.9018 8.290409 -2.424744      10.99254 
1 1 1 4   4  18 o 58.02081 13.26717 29.05381       27.43885 -11.77251     36.12396 84.73315       42.18638 39.02007 17.29852 77.02156 20.12044 -38.00149      26.53433 
1 1 1 4   4  19 f 130.4709 8.579197 225.8781       29.52572 204.2128      37.48698 261.2801       47.91944 122.5351 11.36152 138.4068 12.85793 -15.87167      17.15839 
1 1 1 4   4  20 o 51.63098 14.77991 4.557196       35.83865 45.86362      46.78586 -54.09826      55.75195 61.50818 22.13581 41.75378 19.59054 19.75441       29.55983 
1 1 1 4   4  21 o 127.6154 14.95530 235.4383       49.33113 248.8557      65.54759 217.9111       74.91694 133.5174 18.23205 121.7134 23.71152 11.80399       29.91059 
1 1 1 4   4  22 o 193.5124 13.82484 518.5025       71.91972 524.5734      104.9769 513.1326       98.72993 194.4376 20.05073 192.5872 19.03873 1.850449       27.64969 
1 1 1 4   4  23 o 80.83475 18.93266 104.6094       51.40766 51.37309      70.72562 164.2398       74.85262 64.38021 26.13034 97.28928 27.40414 -32.90907      37.86531 
1 1 1 4   4  24 o 95.70683 18.45414 165.7876       49.78379 193.2790      68.32141 134.6668       72.69145 106.1250 24.41647 85.28867 27.67774 20.83633       36.90828 
1 1 1 4   4  25 o 50.97259 15.85664 19.51846       43.22983 41.25550      56.96305 -10.00439      66.38532 54.75249 22.95035 47.19268 21.88637 7.559811       31.71328 
1 1 1 4   4  26 o 38.87220 12.78059 -3.094499      32.20260 -5.396016     48.48557 -1.277927      43.07564 39.29477 18.38324 38.44964 17.76036 0.8451309      25.56118 
1 1 1 4   6  0  o 421.4294 5.603136 2398.410       60.48574 2412.344      74.89725 2372.283       102.5610 423.2252 6.572204 419.6336 9.076709 3.591583       11.20627 
1 1 1 4   6  1  o 491.2028 10.56940 3250.848       139.7960 0.000000      0.000000 3250.848       139.7960 ?        ?        491.2028 10.56940 ?              ?        
1 1 1 4   6  2  o 1124.421 14.48470 17248.85       421.6436 17782.76      532.5508 16351.91       690.2529 1148.365 17.22255 1100.477 23.29399 47.88879       28.96941 
1 1 1 4   6  3  o 663.9371 8.846603 5602.438       138.6504 5272.965      159.0589 6644.895       282.9288 625.6958 9.440859 702.1785 14.96395 -76.48273      17.69321 
1 1 1 4   6  4  o 1434.194 21.45252 27758.75       828.4561 27758.75      828.4561 0.000000       0.000000 1434.194 21.45252 ?        ?        ?              ?        
1 1 1 4   6  5  o 650.1387 8.544003 5690.630       140.9832 5681.656      172.5655 5708.643       244.4820 649.4529 9.867860 650.8243 13.95082 -1.371399      17.08801 
1 1 1 4   6  6  o 776.2162 8.355829 8112.590       174.5170 7996.482      241.5227 8239.440       252.4485 770.4161 11.64258 782.0163 11.98874 -11.60022      16.71166 
1 1 1 4   6  7  o 1103.399 11.75942 16417.57       349.3049 16264.95      487.9722 16577.95       500.2398 1098.157 16.50241 1108.642 16.75728 -10.48560      23.51884 
1 1 1 4   6  8  o 423.6025 5.056298 2419.342       57.60233 2474.125      80.07334 2360.586       82.92549 428.5831 6.938562 418.6219 7.356694 9.961212       10.11260 
1 1 1 4   6  9  o 648.7568 7.176965 5666.813       125.0872 5530.737      170.3864 5825.887       184.2228 640.3572 9.881646 657.1563 10.41097 -16.79907      14.35393 
1 1 1 4   6  10 o 399.2258 5.022848 2150.653       53.77431 2165.489      72.96522 2133.015       79.55856 400.7636 6.761518 397.6879 7.429527 3.075714       10.04570 
1 1 1 4   6  11 o 336.5801 4.754439 1531.321       42.73775 1550.659      57.11402 1506.714       64.42486 339.0494 6.255994 334.1108 7.161096 4.938568       9.508878 
1 1 1 4   6  12 f 291.1816 4.702107 1146.533       36.30711 1154.208      47.48227 1135.728       56.33802 292.4343 6.030035 289.9289 7.216502 2.505371       9.404214 
1 1 1 4   6  13 o 147.6206 5.651676 291.0495       21.53493 282.3886      26.68825 307.2121       36.45795 144.5958 6.854581 150.6453 8.987797 -6.049484      11.30335 
1 1 1 4   6  14 o 67.22781 12.06830 64.14848       21.59061 65.29210      27.81458 62.41478       34.24662 67.91225 15.54599 66.54336 18.46341 1.368896       24.13659 
1 1 1 4   6  15 f 363.1517 5.405568 1772.917       52.00589 1741.706      67.46333 1818.628       81.64384 359.3039 6.973045 366.9995 8.261798 -7.695587      10.81114 
1 1 1 4   6  16 o 437.7941 6.036897 2544.312       69.05073 2420.522      86.71064 2758.885       114.1607 423.5916 7.602242 451.9965 9.379895 -28.40494      12.07379 
1 1 1 4   6  17 f 272.6003 5.599226 1001.513       40.09244 997.1348      51.28203 1008.397       64.29958 271.9024 7.004366 273.2982 8.737514 -1.395874      11.19845 
1 1 1 4   6  18 o 242.5848 6.051277 781.7838       38.67904 731.8195      49.17913 862.8122       62.62807 232.6927 7.849007 252.4769 9.212214 -19.78421      12.10255 
1 1 1 4   6  19 o 255.9307 6.338848 888.4995       42.99388 891.5468      56.10821 884.1653       66.91422 256.6179 8.120002 255.2436 9.735992 1.374313       12.67770 
1 1 1 4   6  20 o 154.5212 10.54075 329.1122       43.58810 377.2975      62.58812 283.7318       60.73922 165.7120 14.02667 143.3304 15.73793 22.38158       21.08150 
1 1 1 4   6  21 o 53.38261 16.86878 9.445201       48.98735 -0.2681378    64.51250 22.67355       75.28568 50.02058 22.57312 56.74463 25.07343 -6.724052      33.73755 
1 1 1 4   6  22 o 229.1979 10.99584 793.7002       67.79699 819.8010      95.21143 766.8537       96.56168 233.6833 15.13136 224.7125 15.95857 8.970795       21.99168 
1 1 1 4   6  23 o 142.4863 14.91234 311.8803       54.17526 408.7238      79.66901 228.5813       73.88797 166.1850 17.80386 118.7875 23.92769 47.39755       29.82468 
1 1 1 4   6  24 o 108.5323 16.90391 205.1068       48.01484 223.1238      65.11594 183.6370       71.08211 116.3146 21.58546 100.7501 26.01993 15.56451       33.80782 
1 1 1 4   6  25 o 34.55967 11.81310 -55.13918      34.49760 -104.5613     54.81335 -22.72299      44.39217 31.98749 15.93777 37.13184 17.44088 -5.144352      23.62619 
1 1 1 4   6  26 o 47.34867 13.81539 26.64343       30.22968 78.10371      47.23304 -9.060177      39.34285 59.12920 22.07823 35.56815 16.61359 23.56104       27.63078 
1 1 1 4   8  0  o 617.7726 6.587885 5140.008       109.5823 5162.879      155.8000 5117.616       154.1588 619.1318 9.345464 616.4133 9.287799 2.718445       13.17577 
1 1 1 4   8  1  o 977.2346 10.36759 12868.58       272.7662 12727.04      381.6473 13016.38       389.9872 971.7480 14.58563 982.7211 14.73794 -10.97302      20.73517 
1 1 1 4   8  2  o 1090.352 11.54855 15991.30       338.4509 16602.79      496.9057 15462.11       462.2544 1109.726 16.62934 1070.978 16.02939 38.74744       23.09710 
1 1 1 4   8  3  o 795.5552 8.458533 8455.705       180.0164 7941.755      238.7229 9133.216       274.0889 767.7841 11.54707 823.3262 12.36335 -55.54205      16.91707 
1 1 1 4   8  4  o 762.4286 11.44877 7832.257       235.0398 7832.257      235.0398 0.000000       0.000000 762.4286 11.44877 ?        ?        ?              ?        
1 1 1 4   8  5  f 131.6890 4.638649 236.3005       16.24155 210.4376      24.09571 257.8345       21.98690 125.0044 7.158647 138.3736 5.901021 -13.36921      9.277299 
1 1 1 4   8  6  o 743.5505 9.223062 7425.200       159.5800 7398.552      183.9226 7506.354       320.9704 741.0836 9.216893 746.0175 15.97837 -4.933899      18.44612 
1 1 1 4   8  7  o 910.6299 11.90542 11158.56       273.4766 11087.21      332.4128 11308.00       481.0719 906.6030 13.61687 914.6569 19.53298 -8.053894      23.81084 
1 1 1 4   8  8  o 720.9227 8.999659 7002.709       151.0773 6986.315      174.2554 7052.328       303.1672 719.7928 8.990740 722.0526 15.59301 -2.259705      17.99932 
1 1 1 4   8  9  o 343.9625 4.907230 1562.017       38.55517 1533.489      43.89861 1658.269       80.63386 337.3692 4.832390 350.5557 8.542343 -13.18652      9.814460 
1 1 1 4   8  10 o 247.0005 4.370847 810.2421       24.64656 799.2833      28.08715 846.9327       51.39297 243.5448 4.282973 250.4562 7.620588 -6.911407      8.741694 
1 1 1 4   8  11 f 215.2034 5.035404 630.1675       28.20384 644.3632      35.80357 606.9539       45.78469 218.5140 6.085042 211.8928 8.024551 6.621262       10.07081 
1 1 1 4   8  12 o 140.7900 6.866307 277.3935       24.43202 297.4848      30.42885 240.9398       40.98759 148.3677 7.616629 133.2124 11.42680 15.15535       13.73261 
1 1 1 4   8  13 o 606.4435 8.497630 4945.353       129.2344 4871.967      155.9801 5106.026       230.7992 600.1215 9.652655 612.7654 13.98803 -12.64398      16.99526 
1 1 1 4   8  14 o 191.9630 6.122586 519.4691       30.28907 626.0386      40.48141 383.9254       45.65398 215.4167 6.978995 168.5093 10.06170 46.90741       12.24517 
1 1 1 4   8  15 o 277.5141 5.644262 1026.236       40.60246 992.8894      50.56393 1086.769       68.12617 271.3272 6.920923 283.7009 8.918049 -12.37366      11.28852 
1 1 1 4   8  16 o 168.8245 7.177021 385.0070       31.95615 384.5282      41.22117 385.7281       50.58983 168.7547 9.071542 168.8943 11.12410 -0.1395721     14.35404 
1 1 1 4   8  17 o 393.2116 6.614920 2036.019       65.98564 1933.166      79.87349 2257.097       117.1029 378.2758 7.841708 408.1474 10.65534 -29.87152      13.22984 
1 1 1 4   8  18 o 172.7143 7.571788 406.5031       34.82822 414.7008      46.24509 395.7601       52.94005 174.8534 9.822187 170.5753 11.52617 4.278107       15.14358 
1 1 1 4   8  19 o 104.7842 13.71458 149.8679       37.44046 123.2019      48.32292 189.9189       59.22158 92.48476 19.98750 117.0836 18.78453 -24.59887      27.42916 
1 1 1 4   8  20 f 196.6906 14.89651 532.4733       78.89537 0.000000      0.000000 532.4733       78.89537 ?        ?        196.6906 14.89651 ?              ?        
1 1 1 4   8  21 o 194.9772 19.19233 523.0381       100.7616 523.0381      100.7616 0.000000       0.000000 194.9772 19.19233 ?        ?        ?              ?        
1 1 1 4   8  22 o 94.74548 19.94405 149.7605       54.67717 144.1743      76.59332 155.5654       78.07846 93.02261 28.16170 96.46835 28.24852 -3.445732      39.88810 
1 1 1 4   8  23 o 115.4028 24.45331 219.1998       73.62511 219.1998      73.62511 0.000000       0.000000 115.4028 24.45331 ?        ?        ?              ?        
1 1 1 4   8  24 o 62.42152 17.81393 61.86249       45.53640 51.71800      59.20321 76.55747       71.25491 58.84597 23.89917 65.99708 26.42298 -7.151104      35.62785 
1 1 1 4   8  25 o 52.81884 16.22886 46.51137       42.52316 42.59262      55.69289 51.98959       65.84844 51.46146 22.16677 54.17621 23.70945 -2.714752      32.45772 
1 1 1 4   10 0  f 649.8394 6.922676 5687.351       121.1097 5614.634      169.2600 5763.636       173.3638 645.5864 9.736806 654.0924 9.843189 -8.505981      13.84535 
1 1 1 4   10 1  o 827.2385 8.782900 9219.423       195.6084 9121.298      273.7918 9321.729       279.5627 822.7468 12.35864 831.7301 12.48284 -8.983276      17.56580 
1 1 1 4   10 2  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   10 3  o 1151.102 17.23462 17870.89       534.1940 17870.89      534.1940 0.000000       0.000000 1151.102 17.23462 ?        ?        ?              ?        
1 1 1 4   10 4  o 808.3505 8.594615 8799.063       186.9545 8606.183      258.8854 9009.278       270.2691 799.1090 12.03145 817.5919 12.27655 -18.48291      17.18923 
1 1 1 4   10 5  o 658.9490 9.943454 5851.342       176.4300 0.000000      0.000000 5851.342       176.4300 ?        ?        658.9490 9.943454 ?              ?        
1 1 1 4   10 6  o 302.8083 3.533324 1232.737       28.76543 1197.483      39.39926 1272.981       42.09536 298.1822 4.907078 307.4344 5.085087 -9.252167      7.066649 
1 1 1 4   10 7  o 283.2003 4.328032 1101.468       31.01013 1144.400      38.25480 1019.196       52.95705 291.4544 4.874520 274.9461 7.153075 16.50827       8.656063 
1 1 1 4   10 8  o 318.4451 4.800267 1364.409       37.82611 1359.634      45.26832 1375.457       68.85719 317.6266 5.292905 319.2635 8.009706 -1.636932      9.600533 
1 1 1 4   10 9  o 338.6416 5.114129 1502.775       41.76582 1449.578      48.74406 1649.698       81.00686 327.8803 5.521068 349.4030 8.610171 -21.52267      10.22826 
1 1 1 4   10 10 o 286.5506 5.370211 1113.100       41.00597 1134.420      54.51366 1085.315       62.23223 289.8049 6.985802 283.2963 8.158138 6.508545       10.74042 
1 1 1 4   10 11 o 213.5256 4.824554 596.2445       22.92459 581.7891      25.78765 650.7155       50.05865 207.7297 4.610306 219.3215 8.476460 -11.59181      9.649108 
1 1 1 4   10 12 o 118.4979 7.164518 200.1476       16.72803 205.2655      18.37362 175.3544       40.44037 123.3788 5.530578 113.6169 13.21870 9.761902       14.32904 
1 1 1 4   10 13 o 43.74934 11.80349 17.86832       16.10253 17.71946      17.86734 18.51216       37.15846 38.76236 13.70796 48.73633 19.21930 -9.973965      23.60698 
1 1 1 4   10 14 o 192.9241 5.437212 520.4107       24.12329 538.5775      27.93340 467.1095       47.84687 199.9056 5.189380 185.9427 9.556328 13.96286       10.87442 
1 1 1 4   10 15 o 640.2029 8.295036 5559.814       124.8352 5576.226      144.8929 5512.540       245.9128 642.7867 8.371373 637.6190 14.32308 5.167786       16.59007 
1 1 1 4   10 16 o 549.7004 7.503191 4027.041       94.61731 3973.301      108.0829 4203.303       195.7435 542.6291 7.397256 556.7718 13.05650 -14.14270      15.00638 
1 1 1 4   10 17 f 623.1226 8.350282 5223.882       119.5393 5174.058      136.8094 5384.700       245.7901 618.4632 8.215209 627.7820 14.54026 -9.318787      16.70056 
1 1 1 4   10 18 o 231.2365 6.252237 646.1462       32.06163 593.7274      35.63174 869.1081       73.48672 209.6450 6.312032 252.8279 10.79445 -43.18294      12.50447 
1 1 1 4   10 19 o 112.3937 14.03246 253.0564       37.92513 347.4431      45.45215 36.73768       68.80914 159.7005 10.56975 65.08682 25.99846 94.61369       28.06491 
1 1 1 4   10 20 o 211.8985 8.857673 557.6714       43.06670 503.7336      48.46537 760.1200       93.89507 191.6534 9.391428 232.1435 15.02114 -40.49014      17.71535 
1 1 1 4   10 21 f 50.08543 15.42160 12.85593       37.78487 28.61186      43.69371 -33.86749      75.24265 51.05466 20.60243 49.11621 22.95307 1.938446       30.84320 
1 1 1 4   10 22 o 103.9673 15.02993 174.2591       34.75196 179.6520      39.55113 155.9946       72.78671 112.5761 13.04755 95.35843 27.08057 17.21772       30.05987 
1 1 1 4   10 23 o 136.4283 10.83282 243.8043       33.33657 218.7146      37.29019 343.6599       74.39326 124.0716 11.16192 148.7850 18.56910 -24.71342      21.66564 
1 1 1 4   10 24 o 151.4526 10.95492 372.5810       34.72497 386.0179      39.26271 324.3215       74.40849 165.0854 8.832597 137.8199 20.05059 27.26549       21.90984 
1 1 1 4   10 25 o 34.30518 11.99884 -41.90441      32.37188 -37.18428     36.20434 -60.72521      72.29411 29.78921 14.45250 38.82116 19.15761 -9.031954      23.99768 
1 1 1 4   12 0  o 527.7119 5.684412 3750.089       80.75375 3795.476      115.7187 3707.005       112.7454 530.8217 8.096020 524.6022 7.981516 6.219482       11.36882 
1 1 1 4   12 1  o 354.9300 3.976089 1696.375       37.99527 1703.622      54.20634 1689.375       53.27269 355.6745 5.659968 354.1854 5.585867 1.489075       7.952178 
1 1 1 4   12 2  f 1531.408 16.23923 31732.29       669.5855 31974.07      954.1107 31497.65       939.9225 1537.126 23.05185 1525.690 22.87929 11.43652       32.47845 
1 1 1 4   12 3  o 1118.892 11.88310 16907.32       357.8720 17199.45      514.9397 16634.40       497.7147 1128.201 16.95066 1109.583 16.65855 18.61780       23.76620 
1 1 1 4   12 4  o 419.2408 6.537819 2368.217       73.80399 0.000000      0.000000 2368.217       73.80399 ?        ?        419.2408 6.537819 ?              ?        
1 1 1 4   12 5  f 467.0457 7.201218 2941.212       90.56258 0.000000      0.000000 2941.212       90.56258 ?        ?        467.0457 7.201218 ?              ?        
1 1 1 4   12 6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   12 7  o 273.6606 3.382288 1004.160       24.85157 940.9431      33.62486 1080.263       36.89288 264.2214 4.726167 283.0998 4.839714 -18.87839      6.764575 
1 1 1 4   12 8  o 138.5093 3.046697 255.4241       11.22607 239.7001      14.60262 278.1459       17.55378 133.3685 4.066248 143.6500 4.538179 -10.28145      6.093393 
1 1 1 4   12 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   12 10 o 184.5784 4.565007 448.6944       18.67320 440.4516      20.99953 479.8366       40.81750 180.7639 4.314342 188.3929 8.046341 -7.629028      9.130013 
1 1 1 4   12 11 o 267.8093 4.889493 962.6459       31.56420 956.1528      37.06945 979.7668       60.19405 266.3164 5.169338 269.3023 8.300996 -2.985901      9.778987 
1 1 1 4   12 12 o 184.6059 4.866294 465.7109       20.40347 470.9992      23.34417 448.5981       41.99333 186.9549 4.637224 182.2568 8.556835 4.698120       9.732588 
1 1 1 4   12 13 o 372.3395 5.632331 1876.288       50.03060 1882.597      58.54012 1859.195       96.35637 373.7067 5.817539 370.9723 9.646184 2.734436       11.26466 
1 1 1 4   12 14 o 296.8781 5.351657 1167.900       37.91316 1144.315      44.11514 1234.536       74.15333 291.3785 5.622724 302.3777 9.107466 -10.99915      10.70331 
1 1 1 4   12 15 o 276.9061 5.424107 1044.478       36.26149 1056.935      42.82991 1012.949       68.13927 280.0002 5.680748 273.8120 9.241906 6.188141       10.84821 
1 1 1 4   12 16 o 137.5679 7.166612 261.2836       21.49639 264.7356      24.22665 248.5055       46.61111 140.0295 6.425255 135.1064 12.81239 4.923111       14.33322 
1 1 1 4   12 17 o 299.3907 5.731758 1192.080       38.95654 1174.070      44.27913 1253.776       81.95265 294.9140 5.575967 303.8675 10.01603 -8.953430      11.46352 
1 1 1 4   12 18 o 265.7770 6.523477 952.2671       39.31413 946.1226      44.76543 972.9875       82.20461 264.5458 6.284322 267.0082 11.43374 -2.462433      13.04695 
1 1 1 4   12 19 o 241.4738 7.696303 781.5400       40.54421 751.0095      45.23969 906.1365       91.39146 233.5251 7.194535 249.4226 13.60775 -15.89754      15.39261 
1 1 1 4   12 20 o 153.2011 11.96006 267.1294       43.43737 195.3251      49.21567 520.1860       92.39253 117.1014 15.60839 189.3008 18.12596 -72.19941      23.92012 
1 1 1 4   12 21 o 46.36021 14.82555 -3.142587      31.85905 -1.812389     35.32902 -8.933719      73.71489 39.49536 17.32347 53.22507 24.06417 -13.72971      29.65109 
1 1 1 4   12 22 o 89.27943 14.95957 146.9702       30.02079 157.3651      32.84544 94.21275       73.99572 105.2447 11.59021 73.31413 27.58301 31.93061       29.91915 
1 1 1 4   12 23 o 87.96252 15.49423 101.9951       30.33157 76.94476      33.44826 217.9336       71.95818 68.23807 17.95942 107.6870 25.25360 -39.44890      30.98847 
1 1 1 4   12 24 o 126.5949 14.84085 347.3164       37.60405 395.1611      43.48016 205.3202       74.90536 163.9029 9.851925 89.28690 27.99899 74.61600       29.68171 
1 1 1 4   14 0  o 258.9588 3.247082 903.0312       22.63688 917.5659      32.42147 889.2059       31.62033 260.9906 4.613434 256.9269 4.570602 4.063721       6.494165 
1 1 1 4   14 1  o 448.0734 4.931730 2706.668       59.49852 2681.340      83.58960 2732.678       84.70879 445.9501 6.961176 450.1967 6.987839 -4.246552      9.863461 
1 1 1 4   14 2  o 296.0887 3.526731 1181.236       28.11675 1170.036      39.73872 1192.464       39.78751 294.6823 5.008139 297.4951 4.966878 -2.812866      7.053463 
1 1 1 4   14 3  o 342.9075 3.944274 1584.752       36.41745 1566.569      51.25241 1603.294       51.75537 340.9207 5.583127 344.8943 5.572961 -3.973572      7.888549 
1 1 1 4   14 4  o 370.7705 4.219329 1851.924       42.08918 1901.353      61.04689 1807.139       58.10800 375.4735 6.038108 366.0676 5.895101 9.405884       8.438659 
1 1 1 4   14 5  o 490.9908 7.630962 3255.260       100.8872 3255.260      100.8872 0.000000       0.000000 490.9908 7.630962 ?        ?        ?              ?        
1 1 1 4   14 6  o 114.0168 5.294985 175.3241       16.25613 175.3241      16.25613 0.000000       0.000000 114.0168 5.294985 ?        ?        ?              ?        
1 1 1 4   14 7  o 322.7903 3.868752 1404.281       33.55704 1422.175      49.19253 1388.707       45.89277 324.6949 5.626527 320.8857 5.311417 3.809143       7.737503 
1 1 1 4   14 8  f 331.2516 3.992400 1480.897       35.59993 1455.857      50.66652 1505.312       50.03130 328.4748 5.728430 334.0284 5.562563 -5.553619      7.984799 
1 1 1 4   14 9  o 209.3552 3.325997 587.4503       18.63230 619.1776      28.24933 563.0203       24.78864 214.3206 4.895091 204.3898 4.504121 9.930786       6.651994 
1 1 1 4   14 10 o 210.5763 3.384326 596.7012       19.14896 584.7939      26.13217 610.5092       28.14068 208.3163 4.658743 212.8363 4.910272 -4.519943      6.768653 
1 1 1 4   14 11 o 296.7955 5.515877 1187.472       44.08139 0.000000      0.000000 1187.472       44.08139 ?        ?        296.7955 5.515877 ?              ?        
1 1 1 4   14 12 o 318.8193 5.275765 1366.324       40.47026 1360.464      47.50216 1381.838       77.29293 317.7134 5.552575 319.9252 8.972385 -2.211792      10.55153 
1 1 1 4   14 13 f 197.9134 5.380032 543.9739       23.56886 556.3741      26.76925 501.2172       49.70785 203.1983 4.892522 192.6284 9.583434 10.56981       10.76006 
1 1 1 4   14 14 o 438.6691 6.355249 2566.932       66.26638 2528.221      77.03624 2677.074       129.9440 432.8324 6.609855 444.5059 10.85664 -11.67352      12.71050 
1 1 1 4   14 15 o 136.9123 8.165927 285.7837       21.04253 300.6159      23.07406 212.5055       51.28721 149.2478 5.741599 124.5768 15.28933 24.67091       16.33185 
1 1 1 4   14 16 o 172.8063 6.751817 401.4549       24.38235 399.2963      26.97915 411.0762       56.95943 171.9671 5.826387 173.6454 12.18201 -1.678284      13.50363 
1 1 1 4   14 17 o 225.0864 7.217318 716.3190       36.23045 739.2524      41.40142 641.3290       74.86571 233.7932 6.576580 216.3797 12.84941 17.41350       14.43464 
1 1 1 4   14 18 o 68.14307 16.13629 76.00175       30.69174 77.89774      33.57737 66.37155       75.67396 70.19463 17.75296 66.09151 26.95091 4.103119       32.27258 
1 1 1 4   14 19 o 147.0591 11.92499 244.4490       41.81672 181.5219      47.52876 460.0616       87.97807 113.9463 15.49077 180.1720 18.13442 -66.22571      23.84997 
1 1 1 4   14 20 o 129.4606 10.90655 202.9965       29.15274 183.2172      31.65886 313.2982       74.76194 114.7336 10.24758 144.1877 19.25613 -29.45402      21.81310 
1 1 1 4   14 21 o 43.88952 13.74312 6.181729       27.24363 14.49982      29.77838 -36.53297      67.48043 41.47695 16.90915 46.30209 21.66967 -4.825138      27.48625 
1 1 1 4   14 22 o 96.05971 14.35038 152.2029       28.94688 151.3961      32.05196 155.7723       67.41540 102.3763 11.62710 89.74308 26.24013 12.63326       28.70077 
1 1 1 4   14 23 o 94.88941 14.43172 199.2130       31.13320 217.8217      34.44682 116.2104       72.75056 121.6787 10.51359 68.10008 26.88053 53.57866       28.86345 
1 1 1 4   16 0  o 51.26932 7.640210 36.97800       10.20777 38.07389      14.16045 35.79247       14.72822 52.11523 10.45454 50.42340 11.14423 1.691830       15.28042 
1 1 1 4   16 1  o 216.2648 3.231235 628.4343       18.78644 668.3893      27.51182 593.5275       25.71515 222.6843 4.588242 209.8454 4.550994 12.83899       6.462470 
1 1 1 4   16 2  o 221.8419 3.209785 662.4161       19.15740 687.9288      27.79874 639.3404       26.43778 225.9019 4.570060 217.7818 4.508375 8.120087       6.419571 
1 1 1 4   16 3  o 391.5658 4.473413 2069.169       47.14655 2094.702      67.81164 2045.278       65.59422 393.8917 6.393579 389.2399 6.258423 4.651855       8.946826 
1 1 1 4   16 4  o 416.0339 4.710437 2336.078       52.76274 2298.935      73.98841 2374.512       75.26349 412.6702 6.658512 419.3976 6.664614 -6.727386      9.420874 
1 1 1 4   16 5  o 114.4590 4.184425 176.6473       12.84683 175.0509      17.38464 178.5678       19.06817 113.9011 5.668320 115.0168 6.156931 -1.115753      8.368850 
1 1 1 4   16 6  o 222.9477 3.315948 669.5602       19.89886 685.9318      28.62955 654.2598       27.67708 225.5811 4.713337 220.3143 4.665458 5.266815       6.631896 
1 1 1 4   16 7  o 414.4875 6.699815 2318.186       74.77522 2318.186      74.77522 0.000000       0.000000 414.4875 6.699815 ?        ?        ?              ?        
1 1 1 4   16 8  o 380.3782 6.240870 1951.189       63.92108 0.000000      0.000000 1951.189       63.92108 ?        ?        380.3782 6.240870 ?              ?        
1 1 1 4   16 9  o 367.0228 4.374619 1816.384       43.22795 1777.348      60.86455 1856.117       61.40617 363.0403 6.226245 371.0054 6.146790 -7.965118      8.749238 
1 1 1 4   16 10 o 454.8877 7.249412 2791.049       88.79538 0.000000      0.000000 2791.049       88.79538 ?        ?        454.8877 7.249412 ?              ?        
1 1 1 4   16 11 o 90.19565 6.138383 104.6875       14.46332 149.8431      23.20142 75.98662       18.49722 105.3746 8.177023 75.01669 9.157252 30.35792       12.27677 
1 1 1 4   16 12 o 418.3270 4.905305 2356.395       55.17572 2291.104      75.65616 2430.575       80.64285 412.1603 6.817022 424.4937 7.055231 -12.33340      9.810610 
1 1 1 4   16 13 o 289.5178 5.754175 1130.846       44.85818 0.000000      0.000000 1130.846       44.85818 ?        ?        289.5178 5.754175 ?              ?        
1 1 1 4   16 14 o 368.0925 10.00803 1838.870       99.19485 0.000000      0.000000 1838.870       99.19485 ?        ?        368.0925 10.00803 ?              ?        
1 1 1 4   16 15 o 90.41320 11.83398 117.5272       20.89573 118.9903      22.88856 110.2060       51.20136 93.69627 9.072203 87.13013 21.86019 6.566132       23.66797 
1 1 1 4   16 16 o 116.2567 13.11198 238.4828       26.00549 258.9140      28.39151 132.0255       64.80807 138.2530 7.626593 94.26039 25.09045 43.99261       26.22395 
1 1 1 4   16 17 o 161.7459 9.527865 304.9341       31.73187 274.8125      34.39441 477.1993       82.25236 141.4521 9.030152 182.0397 16.78026 -40.58763      19.05573 
1 1 1 4   16 18 o 47.86250 15.38603 -23.00872      29.73004 -37.25481     32.08734 63.40088       79.02544 29.62669 14.17672 66.09830 27.31191 -36.47162      30.77206 
1 1 1 4   16 19 o 213.7384 11.02372 630.4034       61.45425 807.6419      103.9735 535.2406       76.18642 234.7637 16.44782 192.7131 14.68192 42.05063       22.04745 
1 1 1 4   16 20 o 66.57216 15.69547 54.92726       26.40646 43.64585      28.94496 110.9130       64.48071 53.80460 17.46551 79.33972 26.08347 -25.53512      31.39094 
1 1 1 4   16 21 o 43.34888 13.70241 7.000008       25.95598 8.256919      28.41136 0.6565953      63.82652 37.82714 16.05008 48.87061 22.21305 -11.04346      27.40483 
1 1 1 4   16 22 o 50.93545 15.13793 31.09794       27.65694 20.98119      30.39306 79.81857       66.69762 41.36039 16.99733 60.51051 25.05432 -19.15012      30.27587 
1 1 1 4   18 0  f 204.3614 3.399695 563.2334       18.70319 573.0179      26.32503 553.2604       26.57739 206.1580 4.742259 202.5647 4.872648 3.593292       6.799391 
1 1 1 4   18 1  o 332.1607 4.046681 1488.017       36.19208 1478.704      50.90897 1497.534       51.46217 331.1113 5.710012 333.2101 5.735702 -2.098846      8.093362 
1 1 1 4   18 2  o 456.6941 5.128721 2815.620       63.06908 2812.054      89.26870 2819.175       89.11778 456.4035 7.263850 456.9846 7.242348 -0.5811157     10.25744 
1 1 1 4   18 3  o 174.0710 3.526432 408.2416       16.52435 418.7240      23.70516 398.3336       23.04665 176.2430 4.995139 171.8990 4.979105 4.344070       7.052865 
1 1 1 4   18 4  o 298.8057 3.858141 1203.353       31.03763 1178.107      43.49987 1229.535       44.29869 295.6134 5.464878 301.9980 5.447578 -6.384552      7.716282 
1 1 1 4   18 5  o 193.5183 3.680267 504.8445       19.16475 506.9346      26.65764 502.6086       27.57157 193.9371 5.104784 193.0995 5.302700 0.8376465      7.360533 
1 1 1 4   18 6  o 762.6681 8.236366 7871.786       169.0705 8025.030      243.4633 7729.049       234.9667 769.7963 11.74558 755.5400 11.54956 14.25629       16.47273 
1 1 1 4   18 7  o 80.25365 6.273916 86.88065       13.53591 88.48427      19.78583 85.46981       18.55842 80.94350 9.077972 79.56380 8.662477 1.379700       12.54783 
1 1 1 4   18 8  o 509.9357 5.658207 3504.440       77.61225 3596.097      112.8617 3422.208       106.9013 516.2374 8.119210 503.6340 7.882872 12.60345       11.31641 
1 1 1 4   18 9  o 830.9506 8.940644 9339.516       199.8791 9569.865      289.8411 9130.628       276.0095 840.6507 12.80445 821.2505 12.48145 19.40021       17.88129 
1 1 1 4   18 10 o 429.5379 4.973532 2488.961       57.51397 2476.289      81.99107 2501.237       80.69839 428.4529 7.106898 430.6229 6.959602 -2.169983      9.947063 
1 1 1 4   18 11 o 155.1087 4.597089 325.3161       18.02689 323.1637      31.41870 326.3724       22.01028 154.6546 7.544698 155.5627 5.254564 -0.9080353     9.194178 
1 1 1 4   18 12 o 221.1272 5.283793 659.7429       31.46092 0.000000      0.000000 659.7429       31.46092 ?        ?        221.1272 5.283793 ?              ?        
1 1 1 4   18 13 o 118.1577 5.798135 188.8935       18.21754 189.9330      28.09712 188.1395       23.92891 118.3860 8.814100 117.9295 7.535591 0.4565887      11.59627 
1 1 1 4   18 14 o 131.7964 6.432014 234.7682       22.52936 186.5384      30.72499 290.8569       33.13386 117.1401 9.740983 146.4526 8.402170 -29.31256      12.86403 
1 1 1 4   18 15 o 148.3669 5.887235 288.7028       23.05466 250.1393      29.26991 351.7302       37.41951 135.7995 8.004602 160.9343 8.635072 -25.13481      11.77447 
1 1 1 4   18 16 o 169.7060 20.90692 397.8393       95.53680 0.000000      0.000000 397.8393       95.53680 ?        ?        169.7060 20.90692 ?              ?        
1 1 1 4   18 17 o 40.81578 13.48381 -37.27721      24.18305 -46.53418     26.11446 18.45050       64.07408 24.59272 12.00774 57.03885 24.14678 -32.44614      26.96762 
1 1 1 4   18 18 o 122.1860 10.79140 199.1743       25.98020 191.7078      28.18565 241.3611       66.99760 117.8888 8.879162 126.4832 19.67175 -8.594391      21.58280 
1 1 1 4   18 19 o 59.30762 14.97604 49.28457       26.02415 44.86638      29.20245 66.33181       57.36199 54.15270 17.53980 64.46253 24.27925 -10.30983      29.95208 
1 1 1 4   18 20 o 48.32884 15.47155 3.392736       43.56122 17.08759      60.21144 -11.64749      63.09974 50.41453 22.34239 46.24315 21.40778 4.171379       30.94310 
1 1 1 4   18 21 o 52.80554 14.56900 51.27959       28.26920 54.51753      31.55147 38.10093       63.65326 54.82491 18.25640 50.78618 22.70962 4.038723       29.13799 
1 1 1 4   20 0  o 688.4244 7.484974 6395.072       138.4782 6169.680      188.8571 6657.168       203.6546 675.3992 10.38459 701.4497 10.78237 -26.05054      14.96995 
1 1 1 4   20 1  o 305.6597 4.036703 1259.374       33.21845 1291.474      47.27744 1228.075       46.68414 309.5085 5.672807 301.8108 5.744487 7.697723       8.073405 
1 1 1 4   20 2  o 191.3853 3.744132 492.3860       19.26872 462.1351      26.50447 526.2975       28.06239 185.1662 5.315866 197.6044 5.274054 -12.43825      7.488263 
1 1 1 4   20 3  o 327.2927 4.136137 1443.982       36.45096 1450.183      51.71180 1437.858       51.38861 327.9907 5.855240 326.5948 5.843516 1.395966       8.272274 
1 1 1 4   20 4  o 367.1398 4.409369 1816.984       43.58699 1785.372      61.31221 1849.283       61.97575 363.9101 6.257049 370.3696 6.214456 -6.459534      8.818737 
1 1 1 4   20 5  o 656.1829 7.163632 5817.362       126.5722 5829.704      179.4189 5805.136       178.5842 656.8727 10.14387 655.4930 10.11793 1.379700       14.32726 
1 1 1 4   20 6  f 64.64244 9.505801 57.78441       15.96240 47.90011      21.31423 70.40857       24.08785 58.29068 13.79440 70.99419 13.08265 -12.70351      19.01160 
1 1 1 4   20 7  o 350.0738 4.366687 1652.246       41.15213 1650.937      57.56424 1653.615       58.85296 349.9372 6.109128 350.2104 6.241024 -0.2732239     8.733375 
1 1 1 4   20 8  o 195.5179 3.846018 515.4956       20.22184 480.8269      28.32474 551.5352       28.87932 188.8059 5.571434 202.2300 5.303445 -13.42406      7.692036 
1 1 1 4   20 9  o 303.1300 4.013440 1239.220       32.73241 1252.484      47.35936 1227.089       45.29110 304.6712 5.772861 301.5888 5.577175 3.082367       8.026879 
1 1 1 4   20 10 o 83.53814 6.722352 88.73349       14.62249 121.0118      24.79180 71.51447       18.10742 94.44497 9.748680 72.63131 9.258687 21.81366       13.44470 
1 1 1 4   20 11 o 245.3793 3.981959 816.2824       26.13240 778.5248      38.75656 847.7591       35.38653 240.1109 5.994459 250.6478 5.243132 -10.53688      7.963917 
1 1 1 4   20 12 o 114.6731 6.696796 173.1186       20.27822 207.6447      32.85714 151.8774       25.77188 123.5760 9.874430 105.7702 9.048974 17.80584       13.39359 
1 1 1 4   20 13 o 166.7773 5.799687 384.0634       25.37846 340.9611      39.30258 414.8872       33.23639 158.4535 9.211617 175.1012 7.049226 -16.64767      11.59937 
1 1 1 4   20 14 f 53.13173 13.90979 -2.808731      32.15076 73.36758      48.97185 -60.51282      42.62259 72.53457 22.62174 33.72890 16.19217 38.80567       27.81959 
1 1 1 4   20 15 o 57.96670 12.92048 44.02323       26.73085 -0.9543743    36.47212 96.22305       39.29139 39.28278 17.39995 76.65062 19.10488 -37.36784      25.84095 
1 1 1 4   20 16 o 142.6908 6.570255 277.0873       25.03332 243.4773      32.97839 322.7848       38.45399 132.6739 9.231250 152.7076 9.351847 -20.03369      13.14051 
1 1 1 4   20 17 o 265.0794 11.27999 985.1083       80.51344 0.000000      0.000000 985.1083       80.51344 ?        ?        265.0794 11.27999 ?              ?        
1 1 1 4   20 18 o 68.33121 15.75413 77.05946       30.50923 75.74333      34.84484 81.38295       63.15509 68.41713 18.47926 68.24528 25.52032 0.1718521      31.50825 
1 1 1 4   20 19 o 137.1175 10.60680 304.7703       31.62464 319.4385      36.32945 258.8853       64.25475 150.0356 8.992517 124.1994 19.21331 25.83613       21.21360 
1 1 1 4   20 20 o 81.61980 12.67582 155.1390       31.28910 196.7264      36.75810 45.73573       59.61933 112.8737 12.09419 50.36586 22.28086 62.50789       25.35164 
1 1 1 4   22 0  o 250.1627 3.942148 844.4218       26.51652 864.2014      36.79953 823.0610       38.24210 253.2219 5.397065 247.1036 5.747505 6.118332       7.884296 
1 1 1 4   22 1  o 246.4760 5.929259 818.9509       39.35125 0.000000      0.000000 818.9509       39.35125 ?        ?        246.4760 5.929259 ?              ?        
1 1 1 4   22 2  o 394.9383 4.766438 2097.829       50.58458 2019.799      68.92421 2188.926       74.47229 387.0122 6.613992 402.8644 6.865189 -15.85214      9.532875 
1 1 1 4   22 3  o 131.1546 4.970280 231.9240       17.54610 224.4983      24.43205 239.8328       25.21429 128.9881 7.034395 133.3211 7.023675 -4.332993      9.940559 
1 1 1 4   22 4  o 170.1198 4.177980 387.5700       19.05707 440.1841      28.26851 343.7381       25.80165 180.6305 5.812036 159.6091 6.003526 21.02139       8.355961 
1 1 1 4   22 5  o 180.4832 4.186670 436.3511       20.27073 479.7137      30.27229 401.1039       27.29294 188.5502 5.962589 172.4162 5.878804 16.13403       8.373340 
1 1 1 4   22 6  o 294.1949 4.175601 1168.398       33.07364 1183.599      46.62340 1153.000       46.92444 296.1287 5.847095 292.2612 5.962722 3.867462       8.351201 
1 1 1 4   22 7  o 118.2665 6.211062 187.1792       19.61024 172.7896      25.76704 206.9864       30.23086 112.9568 8.471663 123.5762 9.085158 -10.61932      12.42212 
1 1 1 4   22 8  o 148.0826 5.357588 297.0326       21.25670 300.5539      28.76308 292.7950       31.55332 149.0887 7.164853 147.0766 7.967427 2.012085       10.71518 
1 1 1 4   22 9  o 103.3341 7.254114 133.0354       18.73198 232.7205      31.40234 77.97063       23.33908 131.0105 8.901690 75.65768 11.45638 55.35283       14.50823 
1 1 1 4   22 10 o 274.4809 6.073699 1018.279       44.88991 0.000000      0.000000 1018.279       44.88991 ?        ?        274.4809 6.073699 ?              ?        
1 1 1 4   22 11 o 217.8921 4.834963 630.0887       27.48880 702.2515      45.81590 589.5005       34.36049 227.2383 7.487749 208.5459 6.118913 18.69237       9.669927 
1 1 1 4   22 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22 13 o 33.82024 11.11966 -22.99789      24.99393 -49.62315     40.06776 -6.038346      31.97829 31.93403 15.42332 35.70644 16.02213 -3.772411      22.23932 
1 1 1 4   22 14 o 225.6434 6.724964 695.1954       40.85977 0.000000      0.000000 695.1954       40.85977 ?        ?        225.6434 6.724964 ?              ?        
1 1 1 4   22 15 o 289.8544 6.602687 1146.078       51.53283 0.000000      0.000000 1146.078       51.53283 ?        ?        289.8544 6.602687 ?              ?        
1 1 1 4   22 16 o 102.1178 9.225459 151.9561       25.12271 141.5179      37.26916 160.6492       34.01162 98.29105 14.08161 105.9445 11.92244 -7.653503      18.45092 
1 1 1 4   22 17 o 162.2794 6.812112 366.9732       29.26354 412.0425      46.74184 337.9202       37.52847 169.7881 10.22386 154.7706 9.005114 15.01759       13.62422 
1 1 1 4   22 18 o 50.48949 13.50810 43.85670       25.46015 34.54046      36.23464 52.94154       35.78181 47.03887 18.83899 53.94012 19.36407 -6.901253      27.01619 
1 1 1 4   24 0  o 382.3571 4.810917 1976.127       49.51538 2002.241      69.44569 1949.123       70.61972 384.9486 6.699759 379.7656 6.906007 5.183044       9.621835 
1 1 1 4   24 1  o 245.4482 4.371644 816.2898       28.72606 841.6028      38.95778 786.1276       42.52587 249.6785 5.794684 241.2179 6.547270 8.460571       8.743289 
1 1 1 4   24 2  o 179.3159 4.584351 434.5497       22.02776 435.5980      29.74539 433.2766       32.77898 179.5870 6.151222 179.0448 6.799085 0.5422668      9.168701 
1 1 1 4   24 3  o 220.0729 4.323540 655.7348       25.54085 679.2554      35.16643 629.4774       37.15607 224.2921 5.822786 215.8536 6.392742 8.438553       8.647079 
1 1 1 4   24 4  o 142.6219 5.338259 276.0526       20.42544 289.8457      28.18390 260.7942       29.64318 146.4209 7.148495 138.8228 7.930136 7.598129       10.67652 
1 1 1 4   24 5  o 89.51068 12.17564 109.3061       29.34607 109.3061      29.34607 0.000000       0.000000 89.51068 12.17564 ?        ?        ?              ?        
1 1 1 4   24 6  o 198.2713 7.299223 532.2451       38.96906 532.2451      38.96906 0.000000       0.000000 198.2713 7.299223 ?        ?        ?              ?        
1 1 1 4   24 7  o 91.20235 10.67315 124.3270       24.05265 167.3762      32.76207 73.99541       35.42496 110.8227 10.97891 71.58200 18.30651 39.24069       21.34631 
1 1 1 4   24 8  o 120.2583 8.212243 206.3199       25.76276 263.4487      36.49371 149.5632       36.37468 137.8355 9.832715 102.6811 13.15604 35.15440       16.42449 
1 1 1 4   24 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 10 o 157.1033 6.995718 336.7013       29.00994 346.4803      46.07191 330.2771       37.34229 158.7224 10.77989 155.4842 8.919313 3.238281       13.99144 
1 1 1 4   24 11 o 73.34810 12.21949 79.38885       23.13103 80.72016      38.13335 78.61385       29.09489 73.28405 19.12245 73.41216 15.21825 -0.1281052     24.43897 
1 1 1 4   24 12 o 197.8850 5.088424 530.9529       26.44150 558.5698      42.83217 513.9477       33.61040 201.6768 7.887345 194.0933 6.431019 7.583481       10.17685 
1 1 1 4   24 13 o 92.18176 10.25962 126.0169       22.73032 118.0325      40.12868 129.7890       27.58180 87.99466 17.55160 96.36887 10.62925 -8.374207      20.51925 
1 1 1 4   24 14 o 40.68167 12.37938 7.347973       23.84556 1.470984      40.22114 10.53321       29.61062 41.76940 18.39809 39.59395 16.56824 2.175446       24.75876 
1 1 1 4   24 15 o 235.7339 5.410190 766.5266       33.74462 814.0467      53.51824 735.1669       43.47590 241.1064 8.243463 230.3614 7.008991 10.74504       10.82038 
1 1 1 4   24 16 o 122.0542 9.376954 236.7654       28.94114 196.1810      46.60537 262.2384       36.92301 110.1437 15.71422 133.9648 10.23583 -23.82104      18.75391 
1 1 1 4   24 17 o 38.49512 12.47275 2.411119       29.15898 10.20924      42.61518 -4.453936      39.98447 40.34381 18.26340 36.64644 16.99195 3.697369       24.94551 
1 1 1 4   26 0  o 116.5202 8.536274 195.8136       24.87856 220.5623      31.28162 153.2157       41.03992 127.4627 9.114289 105.5778 14.43612 21.88492       17.07255 
1 1 1 4   26 1  o 396.5579 5.148207 2129.878       54.88461 2149.091      75.70444 2108.591       79.68562 398.5097 7.055033 394.6060 7.499510 3.903778       10.29641 
1 1 1 4   26 2  f 88.49010 11.15150 125.1147       23.85665 161.0669      30.49342 68.38783       38.30339 108.5226 10.43525 68.45763 19.71114 40.06493       22.30299 
1 1 1 4   26 3  o 223.7610 5.288869 698.9221       31.51923 759.1828      42.87944 628.0895       46.48886 234.8791 6.779871 212.6428 8.119229 22.23624       10.57774 
1 1 1 4   26 4  o 117.9498 12.16905 190.4179       38.64893 190.4179      38.64893 0.000000       0.000000 117.9498 12.16905 ?        ?        ?              ?        
1 1 1 4   26 5  o 139.2746 11.53701 263.2219       43.26617 263.2219      43.26617 0.000000       0.000000 139.2746 11.53701 ?        ?        ?              ?        
1 1 1 4   26 6  o 187.0927 8.682409 476.2695       43.74016 476.2695      43.74016 0.000000       0.000000 187.0927 8.682409 ?        ?        ?              ?        
1 1 1 4   26 7  o 78.46188 11.61272 97.34892       26.29807 161.3457      36.28028 26.49644       38.17413 107.1521 12.57438 49.77169 19.52707 57.38039       23.22545 
1 1 1 4   26 8  o 181.3116 8.202187 450.8377       40.04412 450.8377      40.04412 0.000000       0.000000 181.3116 8.202187 ?        ?        ?              ?        
1 1 1 4   26 9  o 40.38535 12.03068 2.237867       22.09506 24.11839      36.17903 -10.77724      27.90306 47.89293 18.93963 32.87775 14.84045 15.01518       24.06135 
1 1 1 4   26 10 o 31.45722 10.47114 -29.50224      22.31136 -22.36023     34.93795 -34.42056      28.99313 34.49716 15.95585 28.41728 13.56429 6.079874       20.94228 
1 1 1 4   26 11 o 43.71242 12.34179 20.25638       21.78091 16.32339      34.14176 22.95559       28.28419 43.58446 17.97532 43.84038 16.91646 -0.2559204     24.68357 
1 1 1 4   26 12 o 32.83552 10.71067 -20.72160      22.95496 -46.91056     34.90503 -0.7633405     30.47124 29.44947 14.26474 36.22157 15.98097 -6.772097      21.42135 
1 1 1 4   26 13 o 166.6844 6.297409 407.9002       27.08869 300.2168      40.10289 498.2635       36.73647 144.2630 10.32375 189.1059 7.214546 -44.84288      12.59482 
1 1 1 4   26 14 o 56.92864 11.41955 58.38146       24.17125 -6.102181     38.65325 99.79002       30.97464 36.51768 16.85253 77.33961 15.41481 -40.82193      22.83910 
1 1 1 4   28 0  o 80.04198 12.55677 88.98035       25.45701 72.93237      31.31338 120.2616       43.71818 70.23032 16.78673 89.85362 18.67875 -19.62330      25.11354 
1 1 1 4   28 1  o 48.97395 13.01330 25.56163       25.41558 45.79610      31.21856 -14.20902      43.76715 56.41360 18.12090 41.53431 18.68200 14.87929       26.02661 
1 1 1 4   28 2  o 201.9729 6.986283 556.8016       37.99467 556.8016      37.99467 0.000000       0.000000 201.9729 6.986283 ?        ?        ?              ?        
1 1 1 4   28 3  o 72.68915 13.33471 82.56835       25.44960 84.48396      31.14055 78.71586       44.16155 74.98771 15.91487 70.39059 21.40034 4.597115       26.66942 
1 1 1 4   28 4  o 220.6693 5.479029 679.5081       31.94838 755.5403      42.98448 585.6638       47.75476 235.1789 6.787814 206.1598 8.602593 29.01912       10.95806 
1 1 1 4   28 5  o 78.04575 12.09562 99.95357       25.73363 135.1688      33.36674 48.25950       40.42677 97.89565 12.65805 58.19586 20.61528 39.69979       24.19124 
1 1 1 4   28 6  o 147.2691 7.538220 315.6982       28.39402 355.7869      36.59221 255.0334       45.01381 160.5416 8.464818 133.9965 12.47581 26.54507       15.07644 
1 1 1 4   28 7  o 200.9673 5.729144 560.4089       30.33068 566.1876      39.19477 551.7827       47.88741 202.8528 7.175690 199.0818 8.933187 3.771072       11.45829 
1 1 1 4   28 8  o 94.70313 10.99975 125.1277       26.35273 90.12907      32.62712 190.8069       44.69580 75.98185 16.42592 113.4244 14.63447 -37.44254      21.99951 
1 1 1 4   28 9  o 126.5420 8.615145 233.3283       28.06831 232.6614      35.03538 234.5233       46.89978 127.7660 10.18376 125.3179 13.89870 2.448059       17.23029 
1 1 1 4   28 10 o 50.37278 13.41565 38.81216       26.73169 58.65522      34.82085 10.33402       41.71488 58.05772 19.17161 42.68784 18.77147 15.36988       26.83130 
1 1 1 4   28 11 o 90.73360 11.37174 143.6915       25.94004 79.70221      37.08040 205.0208       36.30152 64.83143 19.58729 116.6358 11.55872 -51.80435      22.74348 
1 1 1 4   28 12 o 51.89948 11.79100 44.34961       24.47431 -13.49448     37.17517 88.60003       32.51488 33.96444 15.95545 69.83451 17.36476 -35.87007      23.58201 
1 1 1 4   30 0  o 77.77907 12.24450 99.66865       24.74669 113.3526      30.87405 75.07990       41.38619 88.39126 12.97182 67.16689 20.77120 21.22437       24.48899 
1 1 1 4   30 1  o 50.74673 13.40165 35.74875       23.93931 32.92116      30.05790 40.65353       39.58759 48.30133 17.68852 53.19215 20.13786 -4.890820      26.80331 
1 1 1 4   30 2  o 58.61919 13.04022 50.74187       23.33977 31.69511      29.93026 80.29571       37.28266 47.54840 17.61030 69.68999 19.23712 -22.14159      26.08044 
1 1 1 4   30 3  o 123.2107 7.859202 221.6069       25.09513 233.6906      32.10460 202.6269       40.23623 128.7859 9.257963 117.6354 12.70269 11.15047       15.71840 
1 1 1 4   30 4  o 47.97031 13.25912 31.82723       24.63488 34.29795      31.68748 28.05243       39.16725 48.28862 18.07315 47.65200 19.40564 0.6366272      26.51825 
1 1 1 4   30 5  o 49.77363 13.43939 36.99586       24.86281 29.43415      32.67757 47.39103       38.31384 46.01937 18.06289 53.52789 19.90480 -7.508526      26.87878 
1 1 1 4   30 6  o 39.44381 12.30105 7.290050       25.38747 13.70824      32.25115 -3.166316      41.16511 39.91776 17.02325 38.96986 17.76155 0.9478989      24.60211 
1 1 1 4   30 7  o 84.36971 12.46431 129.9340       26.63160 142.6422      33.19714 106.9885       44.60749 95.83904 12.86397 72.90038 21.35308 22.93865       24.92861 
1 1 1 4   30 8  o 49.10708 13.73098 34.04477       26.84252 9.305017      33.16597 81.02070       45.70174 37.50167 16.60271 60.71249 21.87485 -23.21082      27.46196 
1 1 1 4   32 0  o 51.16298 12.43273 48.09294       25.24530 77.25735      31.78760 -1.721852      41.54419 64.60593 17.73392 37.72003 17.42982 26.88590       24.86545 
1 1 1 4   32 1  o 99.11517 11.60128 183.0037       26.37949 214.0184      32.61145 124.2967       44.86745 119.8917 10.10177 78.33859 20.88811 41.55315       23.20256 
1 1 1 5   1  0  o 821.8115 8.678533 9095.362       191.9852 8964.948      267.5325 9233.827       275.6662 815.7444 12.17977 827.8787 12.36612 -12.13422      17.35707 
1 1 1 5   1  1  o 1115.119 11.76810 16759.86       353.2093 17061.63      508.3898 16478.27       491.0862 1124.802 16.78563 1105.436 16.49836 19.36584       23.53621 
1 1 1 5   1  2  o 387.2137 4.202118 2018.784       43.80637 1997.388      61.31284 2041.096       62.61067 385.1188 5.912529 389.3086 5.972704 -4.189728      8.404237 
1 1 1 5   1  3  o 1386.492 14.64313 25952.22       546.5940 26232.77      781.4702 25683.50       764.8006 1393.804 20.82224 1379.179 20.59416 14.62476       29.28626 
1 1 1 5   1  4  o 1177.232 12.43344 18683.55       394.0869 18529.48      552.5829 18843.02       562.1875 1172.301 17.50551 1182.163 17.66121 -9.861328      24.86687 
1 1 1 5   1  5  o 2520.686 32.73604 87118.02       2118.963 84385.53      3550.200 88630.10       2640.955 2485.407 53.04835 2555.965 38.37273 -70.55762      65.47208 
1 1 1 5   1  6  o 1144.539 12.10576 17666.02       373.0833 17665.18      527.4110 17666.86       527.8282 1144.512 17.11376 1144.565 17.12650 -0.5297852E-01 24.21152 
1 1 1 5   1  7  o 999.4516 10.59468 13463.15       285.1090 13385.74      400.7774 13542.46       405.6773 996.5469 14.93558 1002.356 15.03056 -5.809326      21.18937 
1 1 1 5   1  8  o 766.8582 8.202646 7925.143       169.3712 7898.869      238.4576 7951.892       240.6110 765.5777 11.56747 768.1386 11.63302 -2.560913      16.40529 
1 1 1 5   1  9  o 675.5615 7.282037 6140.372       132.2522 5945.563      180.9595 6363.721       193.7620 664.0993 10.11964 687.0236 10.47402 -22.92432      14.56407 
1 1 1 5   1  10 o 302.9607 3.888106 1236.798       31.71628 1255.627      44.98454 1218.186       44.72378 305.2548 5.472899 300.6666 5.524206 4.588135       7.776213 
1 1 1 5   1  11 o 409.2154 4.807536 2258.722       52.96557 2306.293      75.64207 2212.962       74.18833 413.4419 6.794626 404.9888 6.803136 8.453064       9.615071 
1 1 1 5   1  12 o 121.5598 4.753562 199.6188       15.46877 200.7551      20.81673 198.2178       23.11573 121.9646 6.338632 121.1550 7.085701 0.8095551      9.507125 
1 1 1 5   1  13 o 151.6456 4.698017 311.2505       19.12644 322.7357      26.36748 298.4962       27.78598 154.6251 6.332939 148.6661 6.941134 5.959000       9.396034 
1 1 1 5   1  14 o 170.9811 4.726252 388.9113       21.55948 355.4950      28.24931 435.5251       33.36458 162.3221 6.463186 179.6402 6.897613 -17.31804      9.452504 
1 1 1 5   1  15 o 105.4955 7.354792 154.5419       20.27772 173.1576      26.76160 129.4450       31.07299 113.2240 8.777887 97.76696 11.80341 15.45708       14.70958 
1 1 1 5   1  16 o 208.6495 5.042038 586.1565       28.26645 572.7943      38.54694 601.6997       41.57407 206.0910 6.946203 211.2081 7.310190 -5.117111      10.08408 
1 1 1 5   1  17 o 408.7053 5.483912 2251.644       60.25304 2217.222      82.61379 2290.761       88.06893 405.3927 7.568211 412.0179 7.938222 -6.625183      10.96782 
1 1 1 5   1  18 o 132.5430 7.586485 241.4144       26.69173 265.6535      36.12045 212.2553       39.61701 140.0672 9.577085 125.0189 11.76854 15.04824       15.17297 
1 1 1 5   1  19 o 89.24257 11.90303 112.7710       27.50054 107.3000      37.47147 119.1579       40.48656 86.90065 16.61945 91.58449 17.04471 -4.683838      23.80606 
1 1 1 5   1  20 o 148.7274 10.06296 304.8172       39.98275 353.1294      57.18464 258.6105       55.92470 160.4938 13.23238 136.9610 15.16434 23.53278       20.12593 
1 1 1 5   1  21 o 78.79622 18.40531 111.3961       45.71804 123.3544      63.28706 98.34499       66.11582 83.05911 25.68567 74.53333 26.36794 8.525780       36.81062 
1 1 1 5   1  22 o 45.29049 15.18751 -53.29580      49.67248 -85.80026     67.30718 -14.41849      73.61020 39.93170 19.44867 50.64928 23.33219 -10.71758      30.37502 
1 1 1 5   1  23 o 68.82660 18.16168 70.93317       45.35113 78.74485      61.52571 61.63915       67.10986 70.98471 25.40145 66.66849 25.96445 4.316223       36.32336 
1 1 1 5   1  24 o 53.87999 16.16856 27.90594       40.55412 21.00475      54.29168 36.61690       60.99643 51.26759 21.98075 56.49238 23.71786 -5.224792      32.33713 
1 1 1 5   1  25 o 101.9029 15.45602 188.4600       41.07891 164.7765      55.43833 217.2965       61.17278 94.09762 22.23305 109.7082 21.47663 -15.61060      30.91203 
1 1 1 5   3  0  o 928.6390 11.96575 11729.82       285.9496 11979.77      357.4733 11285.71       476.4966 942.7373 14.08217 914.5406 19.34966 28.19666       23.93151 
1 1 1 5   3  1  o 391.6453 5.978179 2065.651       63.04420 2065.651      63.04420 0.000000       0.000000 391.6453 5.978179 ?        ?        ?              ?        
1 1 1 5   3  2  o 1487.623 15.72318 29905.91       629.8198 29920.99      891.1666 29890.86       890.2336 1487.996 22.24199 1487.250 22.22986 0.7464600      31.44635 
1 1 1 5   3  3  o 1320.019 13.94390 23502.88       495.5036 23214.56      691.8337 23806.54       710.0159 1311.729 19.58729 1328.310 19.85113 -16.58154      27.88779 
1 1 1 5   3  4  o 933.6701 9.886800 11743.85       248.5066 11603.16      347.1098 11891.79       355.9395 927.9402 13.89196 939.4000 14.07156 -11.45972      19.77360 
1 1 1 5   3  5  o 1446.813 15.28929 28232.80       595.4481 27827.34      829.5577 28663.72       855.2095 1436.127 21.45213 1457.500 21.79118 -21.37244      30.57857 
1 1 1 5   3  6  o 1548.335 16.37982 32351.00       682.3888 33158.45      988.4142 31615.66       943.2558 1566.718 23.42959 1529.952 22.89646 36.76660       32.75964 
1 1 1 5   3  7  o 355.1497 4.123599 1698.256       39.43055 1729.900      56.10074 1667.362       55.43171 358.4191 5.812917 351.8804 5.850322 6.538666       8.247198 
1 1 1 5   3  8  o 866.1662 9.241640 10113.90       215.5257 10214.23      307.1797 10016.62       302.4736 870.3931 13.10671 861.9393 13.03249 8.453857       18.48328 
1 1 1 5   3  9  o 296.0901 3.794219 1175.249       30.09669 1128.684      40.25946 1234.240       45.31371 289.4784 5.164978 302.7018 5.559443 -13.22345      7.588439 
1 1 1 5   3  10 o 144.2188 4.047215 282.3083       15.52973 295.1252      20.71803 265.8721       23.46169 147.9942 5.199007 140.4433 6.204042 7.550919       8.094431 
1 1 1 5   3  11 o 402.8312 4.819036 2189.273       52.21185 2180.796      72.06808 2198.637       75.74660 402.0316 6.657318 403.6308 6.969400 -1.599213      9.638071 
1 1 1 5   3  12 o 104.7126 6.160179 148.8080       17.10924 151.0032      22.43845 145.7591       26.44425 105.6857 7.884848 103.7396 9.466804 1.946083       12.32036 
1 1 1 5   3  13 o 214.8041 4.324589 624.8657       24.88769 646.9258      33.91279 599.1176       36.63799 218.9580 5.752005 210.6503 6.459312 8.307755       8.649178 
1 1 1 5   3  14 o 257.0434 4.480253 892.6172       30.76224 902.3383      41.11782 880.2589       46.36139 258.6681 5.903422 255.4186 6.740941 3.249466       8.960506 
1 1 1 5   3  15 o 241.0975 4.596953 781.8932       29.56616 768.9638      39.08180 799.1953       45.21024 238.8006 6.077931 243.3945 6.898310 -4.593903      9.193907 
1 1 1 5   3  16 o 295.0111 4.879006 1170.250       38.40097 1149.395      50.76086 1198.155       58.71839 291.9769 6.456500 298.0454 7.316584 -6.068481      9.758012 
1 1 1 5   3  17 o 325.2163 5.272523 1424.795       45.96440 1405.871      61.94235 1447.983       68.56847 322.8453 7.125410 327.5873 7.773452 -4.742065      10.54505 
1 1 1 5   3  18 o 282.6179 5.335988 1082.452       40.47409 1130.777      55.86333 1029.055       58.72160 289.3273 7.170576 275.9085 7.904044 13.41876       10.67198 
1 1 1 5   3  19 f 424.8641 5.898317 2446.399       67.36936 2477.789      93.02616 2411.780       97.69450 427.8106 8.075514 421.9175 8.599223 5.893127       11.79663 
1 1 1 5   3  20 o 325.1655 6.569361 1439.180       57.39071 1538.692      80.79687 1337.846       81.53359 336.6485 8.913217 313.6826 9.653010 22.96591       13.13872 
1 1 1 5   3  21 o 289.9004 8.204278 1154.193       63.94519 1165.695      88.30054 1141.509       92.72600 291.5878 11.24633 288.2130 11.94826 3.374786       16.40856 
1 1 1 5   3  22 o 182.3198 10.99097 472.9400       53.68381 482.6291      80.32940 465.1202       72.16579 183.5305 16.25484 181.1091 14.79816 2.421463       21.98194 
1 1 1 5   3  23 o 73.42068 18.75101 84.75861       47.40708 83.70525      70.92950 85.60909       63.73377 73.36105 27.12177 73.48031 25.90004 -0.1192627     37.50203 
1 1 1 5   3  24 o 94.58830 16.44307 157.7512       42.71274 200.6344      60.32626 114.6436       60.48393 110.0456 21.12684 79.13100 25.20229 30.91460       32.88615 
1 1 1 5   3  25 o 57.76608 16.94703 60.75852       42.87255 47.30672      56.48742 79.03592       65.84438 53.85698 22.72892 61.67517 25.14366 -7.818184      33.89406 
1 1 1 5   5  0  o 617.9377 8.103967 5126.938       126.8576 5089.860      154.7716 5202.839       221.4408 614.6514 9.351453 621.2241 13.23811 -6.572693      16.20793 
1 1 1 5   5  1  o 1299.690 16.85388 22822.57       556.3521 22812.14      681.7728 22843.37       962.5484 1300.054 19.47577 1299.325 27.51196 0.7296143      33.70777 
1 1 1 5   5  2  o 1587.611 23.74056 34033.07       1014.889 34033.07      1014.889 0.000000       0.000000 1587.611 23.74056 ?        ?        ?              ?        
1 1 1 5   5  3  o 500.0206 5.391646 3366.926       72.59165 3387.385      102.9756 3346.716       102.3475 501.5305 7.625241 498.5108 7.624639 3.019745       10.78329 
1 1 1 5   5  4  o 789.5547 8.399117 8388.606       178.4107 8629.663      258.9511 8170.783       246.1564 800.3333 12.01610 778.7761 11.73857 21.55725       16.79823 
1 1 1 5   5  5  o 751.2147 8.018120 7597.477       162.0932 7780.731      234.1655 7428.884       224.6022 759.8992 11.44415 742.5302 11.23354 17.36908       16.03624 
1 1 1 5   5  6  o 1923.795 20.34984 50041.48       1054.150 49995.59      1489.101 50087.57       1492.491 1922.917 28.75944 1924.674 28.79859 -1.757080      40.69968 
1 1 1 5   5  7  o 1217.688 12.91655 20004.98       423.4182 20298.43      606.6345 19726.21       591.2687 1226.376 18.37046 1209.000 18.16249 17.37646       25.83311 
1 1 1 5   5  8  o 813.1235 8.721440 8916.400       190.9246 8857.930      267.3279 8977.276       272.7706 810.4128 12.25052 815.8343 12.41687 -5.421509      17.44288 
1 1 1 5   5  9  o 726.9186 7.883440 7136.050       154.2969 7139.979      217.0204 7132.035       219.4168 727.1337 11.08416 726.7034 11.21320 0.4303589      15.76688 
1 1 1 5   5  10 o 284.1253 4.076807 1077.310       30.55288 1036.507      39.09859 1141.301       48.96366 277.3176 5.236008 290.9330 6.250252 -13.61536      8.153614 
1 1 1 5   5  11 o 261.5002 4.181082 923.7903       29.08220 931.8021      38.34887 912.9461       44.61573 262.8752 5.417757 260.1252 6.369748 2.750092       8.362164 
1 1 1 5   5  12 o 107.4906 6.221209 151.5793       17.68406 132.3789      22.55503 182.2138       28.49006 98.94138 8.466074 116.0397 9.118077 -17.09837      12.44242 
1 1 1 5   5  13 o 424.0934 5.251075 2425.378       59.70109 2394.989      80.50580 2462.511       88.99056 421.1997 7.098322 426.9870 7.740088 -5.787262      10.50215 
1 1 1 5   5  14 o 164.0851 5.320858 365.2113       23.04431 373.1285      29.95232 353.7271       36.07394 166.3170 6.688217 161.8531 8.277311 4.463974       10.64172 
1 1 1 5   5  15 o 132.0821 6.491454 229.9820       22.64643 208.5770      28.84060 264.4037       36.57324 124.2858 8.617862 139.8785 9.710219 -15.59276      12.98291 
1 1 1 5   5  16 f 321.6726 5.147031 1382.460       43.53676 1337.000      55.44169 1455.587       70.31675 314.8965 6.538609 328.4488 7.950743 -13.55237      10.29406 
1 1 1 5   5  17 o 61.50491 13.69414 47.64088       24.54780 37.61805      30.41357 66.37500       41.58042 53.87554 17.92340 69.13428 20.70917 -15.25874      27.38828 
1 1 1 5   5  18 o 238.8294 6.085086 779.3239       37.50172 798.2216      47.08896 746.5526       62.01006 243.0223 7.195973 234.6365 9.814839 8.385834       12.17017 
1 1 1 5   5  19 o 77.85496 14.94111 83.19720       31.35233 69.36761      39.33796 107.2785       51.90955 69.75754 19.94265 85.95238 22.25394 -16.19484      29.88222 
1 1 1 5   5  20 o 115.7672 14.00331 193.4054       41.90995 216.0124      56.77920 166.3461       62.11939 124.8558 16.88874 106.6787 22.34146 18.17712       28.00661 
1 1 1 5   5  21 o 355.4402 13.52168 1719.503       129.4138 0.000000      0.000000 1719.503       129.4138 ?        ?        355.4402 13.52168 ?              ?        
1 1 1 5   5  22 o 176.1191 11.26459 440.9183       53.13396 508.0461      77.86230 382.4133       72.68964 188.9975 15.29987 163.2406 16.53716 25.75696       22.52917 
1 1 1 5   5  23 o 73.15034 18.55363 86.37636       46.32178 82.48723      62.91926 90.97886       68.44707 71.76551 25.68680 74.53519 26.77941 -2.769676      37.10725 
1 1 1 5   5  24 o 77.20053 17.47545 112.6757       41.52688 122.3606      53.60168 98.13568       65.67683 82.57267 23.16593 71.82838 26.17068 10.74429       34.95090 
1 1 1 5   5  25 o 77.29289 17.73956 127.7075       41.90834 94.53141      53.15637 182.1991       68.12520 65.80479 23.60398 88.78099 26.48811 -22.97620      35.47912 
1 1 1 5   7  0  o 1378.195 20.61464 25669.61       764.9507 25473.31      1073.470 25872.13       1090.334 1372.864 29.03885 1383.526 29.26771 -10.66296      41.22927 
1 1 1 5   7  1  o 458.1883 6.191279 2703.753       68.17329 2565.374      79.12743 3102.332       134.2919 436.4684 6.732725 479.9082 10.39222 -43.43982      12.38256 
1 1 1 5   7  2  o 1962.475 25.58067 51901.29       1265.636 51351.59      1536.353 53062.08       2232.589 1948.675 29.27980 1976.275 41.95444 -27.59985      51.16133 
1 1 1 5   7  3  f 518.0197 6.900935 3577.865       89.44808 3517.210      107.6584 3713.066       160.7346 511.0445 7.823588 524.9948 11.37027 -13.95029      13.80187 
1 1 1 5   7  4  o 1845.072 27.64013 46040.41       1373.209 46040.41      1373.209 0.000000       0.000000 1845.072 27.64013 ?        ?        ?              ?        
1 1 1 5   7  5  o 67.62918 5.651496 61.86380       10.07875 62.95339      13.05960 60.25906       15.84895 68.37121 7.093704 66.88716 8.799830 1.484047       11.30299 
1 1 1 5   7  6  o 1720.685 18.26186 40046.88       845.9028 39586.80      1180.626 40532.20       1212.588 1710.596 25.63194 1730.774 26.01894 -20.17822      36.52372 
1 1 1 5   7  7  o 1258.551 13.40803 21405.65       454.2872 21741.36      650.5547 21086.15       634.6586 1268.155 19.05145 1248.948 18.87176 19.20703       26.81606 
1 1 1 5   7  8  o 681.3641 7.487274 6266.171       137.3579 6345.242      194.0565 6186.778       194.4510 685.6843 10.51043 677.0439 10.66621 8.640442       14.97455 
1 1 1 5   7  9  o 688.3096 7.618061 6404.378       141.1323 6431.385      196.9683 6375.882       202.3217 689.8432 10.60383 686.7760 10.94067 3.067200       15.23612 
1 1 1 5   7  10 o 339.4684 4.695316 1551.092       42.22124 1534.003      54.83578 1575.973       66.16769 337.2420 6.038637 341.6947 7.191580 -4.452667      9.390632 
1 1 1 5   7  11 o 433.1508 5.483939 2530.011       63.20830 2495.579      82.99037 2577.578       97.54255 429.7788 7.171323 436.5227 8.298581 -6.743866      10.96788 
1 1 1 5   7  12 o 110.1204 6.706380 158.7906       19.19021 144.9330      23.75813 184.8031       32.55063 103.5017 8.524748 116.7391 10.35523 -13.23741      13.41276 
1 1 1 5   7  13 o 494.9268 9.139961 3311.331       121.8060 0.000000      0.000000 3311.331       121.8060 ?        ?        494.9268 9.139961 ?              ?        
1 1 1 5   7  14 o 455.6152 5.886264 2794.756       71.33371 2751.299      93.50536 2855.260       110.3322 451.4886 7.691417 459.7419 8.912606 -8.253265      11.77253 
1 1 1 5   7  15 o 230.5255 5.344939 708.4330       31.96152 686.5357      39.85389 747.8989       53.50395 225.6485 6.559258 235.4025 8.440949 -9.754013      10.68988 
1 1 1 5   7  16 o 339.3868 5.547285 1532.262       48.68743 1478.512      60.41150 1631.875       82.24075 331.1109 6.775835 347.6628 8.785075 -16.55188      11.09457 
1 1 1 5   7  17 o 488.3444 6.447140 3217.140       83.74419 3163.057      109.7523 3292.509       129.5619 483.6314 8.427833 493.0574 9.758797 -9.426056      12.89428 
1 1 1 5   7  18 o 43.33506 12.95650 -4.855286      28.14166 22.92441      36.97193 -43.11850      43.39095 49.84588 19.31085 36.82423 17.27931 13.02164       25.91300 
1 1 1 5   7  19 o 94.83749 15.07553 131.7898       37.25494 136.8954      49.09252 124.8571       57.20620 97.49330 19.38326 92.18168 23.09492 5.311623       30.15105 
1 1 1 5   7  20 o 48.29036 15.37926 -21.13744      43.29913 7.217342      56.98730 -59.86296      66.59837 52.01680 22.41438 44.56392 21.06377 7.452877       30.75853 
1 1 1 5   7  21 o 56.29469 17.83017 -35.32933      58.17407 -95.41782     79.73794 33.04950       85.06094 46.01258 22.10457 66.57681 27.98299 -20.56423      35.66034 
1 1 1 5   7  22 o 171.9179 11.47175 433.1201       52.74459 378.1807      74.37838 488.6955       74.80769 160.0229 17.26160 183.8128 15.11427 -23.78989      22.94349 
1 1 1 5   7  23 o 144.2969 12.94990 328.0083       48.42934 378.8000      64.76528 263.5856       72.94001 160.2631 15.00808 128.3307 21.10823 31.93243       25.89981 
1 1 1 5   7  24 o 93.07735 20.59824 150.2706       50.25885 150.2706      50.25885 0.000000       0.000000 93.07735 20.59824 ?        ?        ?              ?        
1 1 1 5   7  25 f 51.04823 13.54458 25.77222       29.98188 106.0209      47.09961 -28.89907      38.87568 69.87099 22.23827 32.22546 15.46873 37.64554       27.08915 
1 1 1 5   9  0  o 677.1927 7.230541 6175.966       131.8219 6245.910      188.5993 6109.158       184.3228 680.9385 10.28605 673.4469 10.16465 7.491577       14.46108 
1 1 1 5   9  1  o 479.8802 7.358953 3101.458       95.08945 3101.458      95.08945 0.000000       0.000000 479.8802 7.358953 ?        ?        ?              ?        
1 1 1 5   9  2  o 378.5392 5.848796 1929.537       59.61571 0.000000      0.000000 1929.537       59.61571 ?        ?        378.5392 5.848796 ?              ?        
1 1 1 5   9  3  o 1412.981 14.96907 26899.64       568.8168 26100.84      781.1772 27801.18       829.8878 1390.738 20.86031 1435.224 21.47417 -44.48560      29.93814 
1 1 1 5   9  4  o 347.3062 4.861713 1624.571       42.36170 1624.726      51.31364 1624.238       75.06456 347.3521 5.486300 347.2602 8.027799 0.9191895E-01  9.723427 
1 1 1 5   9  5  o 809.2791 10.03601 8754.512       187.3857 8681.726      214.8411 8985.943       383.0935 802.6735 9.940200 815.8848 17.43784 -13.21130      20.07201 
1 1 1 5   9  6  o 737.1177 9.660882 7370.919       181.8171 7451.219      224.6571 7218.476       309.5379 743.2794 11.22496 730.9559 15.72676 12.32355       19.32176 
1 1 1 5   9  7  o 700.0310 8.837838 6487.847       140.0812 6374.627      158.9426 6881.762       296.4691 687.4134 8.586953 712.6487 15.44972 -25.23529      17.67568 
1 1 1 5   9  8  o 161.1041 4.295776 329.2220       14.91573 316.4503      16.53344 385.0722       34.57421 153.2670 4.006187 168.9413 7.600343 -15.67432      8.591552 
1 1 1 5   9  9  o 473.6248 6.317919 2954.411       67.24730 2893.291      76.00723 3174.665       144.2863 463.1428 6.094760 484.1068 11.06880 -20.96405      12.63584 
1 1 1 5   9  10 o 142.2279 5.164988 266.5239       15.92763 261.9937      17.77761 284.9549       35.85852 139.3912 4.736468 145.0646 9.180102 -5.673416      10.32998 
1 1 1 5   9  11 o 183.0959 5.507413 458.1337       25.81536 469.7071      32.11962 437.0161       43.38715 186.5213 6.395267 179.6706 8.968108 6.850693       11.01483 
1 1 1 5   9  12 o 378.4081 6.150580 1967.833       59.66285 2048.999      74.68285 1824.651       99.19234 389.6146 7.118726 367.2016 10.03206 22.41299       12.30116 
1 1 1 5   9  13 o 63.69996 12.35962 49.87694       22.08529 29.18547      27.51628 87.34174       37.02591 48.91429 17.03255 78.48563 17.91461 -29.57135      24.71924 
1 1 1 5   9  14 o 358.4283 5.847920 1746.474       54.84218 1789.508      70.22224 1679.184       87.80988 364.2404 7.159837 352.6162 9.248211 11.62427       11.69584 
1 1 1 5   9  15 o 206.6265 6.199790 573.0895       33.31062 563.9542      41.81674 588.9515       55.10206 204.4564 7.595670 208.7967 9.800786 -4.340256      12.39958 
1 1 1 5   9  16 o 231.9409 6.213254 720.0936       37.74195 697.1382      47.73825 758.3608       61.63655 227.1661 7.804403 236.7158 9.670026 -9.549759      12.42651 
1 1 1 5   9  17 o 188.1026 7.212213 478.0189       35.38019 471.6112      44.64292 488.8399       58.01436 186.5953 8.885225 189.6098 11.36296 -3.014465      14.42443 
1 1 1 5   9  18 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   9  19 o 178.1498 10.44328 447.1098       48.78839 502.6476      64.96762 375.2825       73.88347 191.6709 12.58802 164.6287 16.66704 27.04227       20.88656 
1 1 1 5   9  20 o 175.8294 14.32373 431.2438       66.69805 458.0711      88.55184 396.0679       101.3986 182.6677 18.00332 168.9911 22.28356 13.67659       28.64745 
1 1 1 5   9  21 o 126.5872 15.84581 248.7778       51.22701 308.5531      70.40916 181.5482       74.67036 146.4774 17.85151 106.6969 26.18553 39.78055       31.69162 
1 1 1 5   9  22 o 45.22926 14.84688 -58.25097      45.90841 -124.4601     64.66560 9.028349       65.18613 36.35421 17.97356 54.10431 23.63622 -17.75010      29.69376 
1 1 1 5   9  23 o 76.48273 24.65506 106.6772       57.75264 106.6772      57.75264 0.000000       0.000000 76.48273 24.65506 ?        ?        ?              ?        
1 1 1 5   9  24 o 55.19156 16.77575 50.98413       44.09751 41.51137      56.80940 65.34479       69.94696 52.23117 22.44173 58.15195 24.94136 -5.920776      33.55149 
1 1 1 5   11 0  o 882.4615 9.371533 10491.02       222.6021 10319.58      309.7586 10674.11       320.1104 875.0176 13.14690 889.9055 13.35895 -14.88788      18.74307 
1 1 1 5   11 1  f 548.5430 5.900984 4052.623       87.15456 4018.413      122.4035 4087.802       124.1249 546.1959 8.322658 550.8901 8.367785 -4.694214      11.80197 
1 1 1 5   11 2  f 1627.259 17.27183 35799.73       756.4803 35201.84      1051.699 36440.68       1088.921 1613.256 24.21056 1641.263 24.63966 -28.00659      34.54366 
1 1 1 5   11 3  o 562.9501 6.055262 4261.993       91.64768 4406.187      134.1351 4135.740       125.5129 571.8568 8.711076 554.0433 8.413199 17.81348       12.11052 
1 1 1 5   11 4  o 853.1131 9.086803 9819.382       208.6871 9952.061      299.1275 9693.568       291.2849 858.7120 12.93676 847.5142 12.76402 11.19788       18.17361 
1 1 1 5   11 5  o 404.4115 4.484977 2202.809       48.81956 2162.298      67.88558 2246.202       70.25809 400.5657 6.293909 408.2573 6.391149 -7.691650      8.969954 
1 1 1 5   11 6  o 333.7119 4.874143 1489.707       40.18597 1472.066      47.93692 1531.417       73.70941 330.5120 5.386411 336.9117 8.125002 -6.399689      9.748286 
1 1 1 5   11 7  o 68.38995 7.432974 53.19690       8.879654 49.85896      9.401899 80.76348       27.01892 60.80667 5.742235 75.97322 13.71215 -15.16655      14.86595 
1 1 1 5   11 8  o 60.24515 8.330894 47.80515       9.437513 46.86491      10.16375 53.68802       25.42322 58.93303 6.404892 61.55727 15.38156 -2.624241      16.66179 
1 1 1 5   11 9  o 229.5624 4.493943 642.3633       22.69279 597.6664      25.18799 835.0204       52.29347 210.5629 4.442510 248.5620 7.813207 -37.99916      8.987885 
1 1 1 5   11 10 o 391.2769 5.796964 2066.619       56.49224 2060.776      67.97621 2079.664       101.5711 390.7066 6.461344 391.8473 9.626535 -1.140686      11.59393 
1 1 1 5   11 11 f 251.0519 4.827833 828.5219       27.23129 811.3006      30.77169 890.7088       58.47470 245.3469 4.657869 256.7568 8.457903 -11.40988      9.655665 
1 1 1 5   11 12 o 48.69273 11.89956 23.96536       15.24919 20.35150      16.74849 41.48232       36.87389 39.88218 13.30226 57.50328 19.73445 -17.62110      23.79913 
1 1 1 5   11 13 o 43.62481 11.38495 21.52585       16.63166 27.55034      18.74592 -0.7535350     36.04942 45.17274 13.98098 42.07688 17.97223 3.095867       22.76991 
1 1 1 5   11 14 o 78.14105 11.12500 104.4105       19.40261 122.0070      22.23698 48.28238       39.71494 95.06930 8.686647 61.21280 20.48425 33.85649       22.24999 
1 1 1 5   11 15 o 446.3252 6.334822 2685.887       66.13832 2679.313      76.46183 2705.423       131.8027 445.6676 6.371626 446.9829 10.95090 -1.315308      12.66964 
1 1 1 5   11 16 o 51.49863 13.68996 20.13754       22.25754 11.97596      25.17856 49.31750       47.60870 39.82814 15.78429 63.16912 22.37222 -23.34099      27.37992 
1 1 1 5   11 17 f 190.9971 6.694257 477.1182       28.87551 463.0083      32.64420 527.8616       61.90610 185.1123 6.549185 196.8819 11.67735 -11.76956      13.38851 
1 1 1 5   11 18 f 227.8162 7.477840 700.2681       37.73619 695.1503      42.56448 719.0652       81.57353 226.6444 6.974594 228.9881 13.22979 -2.343628      14.95568 
1 1 1 5   11 19 o 74.13137 17.83057 43.65269       39.81816 8.515040      45.15508 166.4990       84.43090 47.74122 20.24411 100.5215 29.35800 -52.78030      35.66113 
1 1 1 5   11 20 o 83.25687 16.50472 130.3574       38.38726 144.6225      43.81367 83.23125       79.63472 96.43244 17.51869 70.08131 27.97712 26.35114       33.00945 
1 1 1 5   11 21 o 116.2788 13.69020 195.0753       34.85537 186.3159      39.47309 226.0802       74.26419 114.7266 12.77772 117.8310 24.21604 -3.104416      27.38041 
1 1 1 5   11 22 f 140.6138 12.52482 339.0078       33.33655 364.9949      37.49590 240.9821       72.82412 162.0575 8.592732 119.1701 23.52976 42.88744       25.04964 
1 1 1 5   11 23 o 165.4425 9.727445 411.3487       33.51566 411.0800      37.33451 412.4642       76.07142 171.1679 8.100369 159.7171 17.68832 11.45073       19.45489 
1 1 1 5   11 24 o 72.29333 13.53088 124.3687       32.16391 144.6577      35.82419 40.02539       73.04188 94.55482 14.07049 50.03185 23.11623 44.52298       27.06176 
1 1 1 5   13 0  f 393.4088 4.369932 2084.558       46.28553 2059.153      64.81873 2110.990       66.11578 390.9644 6.157153 395.8531 6.202798 -4.888763      8.739864 
1 1 1 5   13 1  o 518.5550 5.621482 3623.694       78.47211 3668.446      112.5198 3581.317       109.4947 521.6663 8.010375 515.4437 7.889115 6.222534       11.24296 
1 1 1 5   13 2  o 347.8250 5.608945 1630.153       52.53217 1630.153      52.53217 0.000000       0.000000 347.8250 5.608945 ?        ?        ?              ?        
1 1 1 5   13 3  o 228.1865 3.002732 700.3569       18.43365 676.4881      25.42786 726.7951       26.76146 224.0960 4.213980 232.2770 4.278782 -8.181061      6.005464 
1 1 1 5   13 4  o 220.5098 2.956188 654.9481       17.53993 658.5565      25.32408 651.6210       24.31696 221.0909 4.253823 219.9287 4.106237 1.162155       5.912376 
1 1 1 5   13 5  o 397.8012 5.635697 2144.674       56.11271 2116.573      99.50605 2157.777       67.94668 395.6538 9.340083 399.9486 6.309293 -4.294800      11.27139 
1 1 1 5   13 6  o 308.9108 3.741805 1284.875       31.04807 1312.001      45.73320 1261.683       42.28631 311.9170 5.445141 305.9047 5.133698 6.012299       7.483609 
1 1 1 5   13 7  o 68.52303 4.895981 63.79715       8.963932 59.80297      13.27547 67.14425       12.15264 66.52390 7.411205 70.52217 6.399731 -3.998276      9.791962 
1 1 1 5   13 8  o 174.4537 3.080518 410.2776       14.43970 446.7282      20.64409 375.3621       20.20465 182.0475 4.211410 166.8598 4.496931 15.18768       6.161036 
1 1 1 5   13 9  o 456.1948 6.474751 2772.868       72.92000 2713.093      86.75040 2916.800       134.6135 448.3135 7.186316 464.0761 10.77249 -15.76263      12.94950 
1 1 1 5   13 10 o 263.1050 5.985872 931.5472       42.26992 974.8830      62.86076 895.7783       57.10961 268.6484 8.689842 257.5616 8.234640 11.08679       11.97174 
1 1 1 5   13 11 o 184.8133 4.926325 454.6541       19.72092 450.5272      22.04333 471.2018       44.14009 182.8518 4.477076 186.7749 8.776703 -3.923050      9.852651 
1 1 1 5   13 12 o 376.5815 5.648916 1877.432       49.44259 1843.177      56.75533 1985.262       100.6954 369.7956 5.699826 383.3673 9.754640 -13.57178      11.29783 
1 1 1 5   13 13 o 411.2161 6.160655 2286.982       63.08828 2293.799      76.00916 2271.884       113.1121 412.4168 6.844571 410.0154 10.24532 2.401398       12.32131 
1 1 1 5   13 14 o 289.3950 5.385182 1097.041       36.30932 1064.835      41.62677 1199.494       74.24545 281.0002 5.501521 297.7898 9.259266 -16.78967      10.77036 
1 1 1 5   13 15 o 319.3477 5.518582 1396.203       41.36665 1414.475      48.10146 1344.311       81.06092 323.7672 5.517496 314.9282 9.559092 8.839050       11.03716 
1 1 1 5   13 16 o 249.0340 5.823746 831.0176       32.24095 824.3508      36.39628 855.3154       69.48355 247.1340 5.469418 250.9339 10.28346 -3.799942      11.64749 
1 1 1 5   13 17 o 260.4824 6.516187 961.0854       39.63282 1005.595      46.40617 841.1167       76.18709 272.7201 6.319391 248.2447 11.39772 24.47542       13.03237 
1 1 1 5   13 18 o 106.7615 13.56021 121.3207       31.61076 82.19075      34.61668 317.7308       77.55549 72.01986 17.92225 141.5031 20.35463 -69.48325      27.12043 
1 1 1 5   13 19 o 135.1288 12.68383 253.1264       36.51244 238.6719      40.39122 317.7280       85.38995 129.8413 11.55289 140.4163 22.58426 -10.57501      25.36766 
1 1 1 5   13 20 o 214.2411 8.640154 671.4186       37.09092 684.8633      40.94786 609.9672       87.54311 223.8670 6.792940 204.6152 15.88915 19.25175       17.28031 
1 1 1 5   13 21 o 44.95769 14.52131 -6.376002      28.74340 -10.40686     31.36703 14.74044       71.79351 34.68229 15.68750 55.23308 24.44127 -20.55079      29.04261 
1 1 1 5   13 22 o 85.50935 15.77244 111.1609       30.57042 96.88821      33.89917 173.3152       70.74116 77.76611 16.68831 93.25260 26.76900 -15.48650      31.54488 
1 1 1 5   13 23 o 64.30359 14.83333 91.69511       31.38560 100.8690      35.10519 55.15584       70.06060 75.21586 17.63878 53.39132 23.85340 21.82454       29.66667 
1 1 1 5   15 0  o 207.0739 3.037969 575.7340       16.90586 611.5757      24.87781 544.9808       23.04430 213.0388 4.336806 201.1089 4.255483 11.92992       6.075938 
1 1 1 5   15 1  o 353.2130 4.069930 1682.204       38.70213 1692.740      55.31052 1672.097       54.17333 354.2923 5.797792 352.1337 5.713399 2.158600       8.139860 
1 1 1 5   15 2  o 200.4758 2.985215 541.7429       16.10384 537.0280      23.14653 546.1663       22.41940 199.6265 4.306103 201.3251 4.135641 -1.698608      5.970431 
1 1 1 5   15 3  o 292.5007 3.615383 1152.872       28.46629 1122.847      39.67814 1184.717       40.86282 288.5793 5.106257 296.4220 5.119581 -7.842712      7.230766 
1 1 1 5   15 4  o 330.2922 3.941520 1470.428       35.03097 1434.673      48.46883 1509.531       50.68821 326.0994 5.519874 334.4851 5.627905 -8.385742      7.883040 
1 1 1 5   15 5  o 74.88605 4.340568 75.33015       8.610106 77.54579      13.53405 73.82374       11.15964 75.79269 6.631581 73.97939 5.602166 1.813301       8.681136 
1 1 1 5   15 6  o 215.0243 4.650230 623.3896       26.92436 623.3896      26.92436 0.000000       0.000000 215.0243 4.650230 ?        ?        ?              ?        
1 1 1 5   15 7  o 128.9791 3.587981 217.8576       11.87904 245.1465      20.62975 204.3211       14.52958 134.8273 5.682411 123.1308 4.382309 11.69650       7.175962 
1 1 1 5   15 8  o 174.3595 4.549098 409.6780       21.35769 0.000000      0.000000 409.6780       21.35769 ?        ?        174.3595 4.549098 ?              ?        
1 1 1 5   15 9  o 378.5422 4.474792 1928.723       45.53526 1994.848      66.73922 1871.130       62.28448 384.5889 6.444674 372.4955 6.209768 12.09341       8.949584 
1 1 1 5   15 10 o 491.4684 5.494411 3257.724       72.68447 3207.819      101.1614 3310.981       104.5028 487.5885 7.705092 495.3484 7.834906 -7.759918      10.98882 
1 1 1 5   15 11 o 303.1416 5.146021 1225.548       37.41696 1209.215      43.73932 1270.115       72.25031 299.5405 5.422918 306.7427 8.747462 -7.202179      10.29204 
1 1 1 5   15 12 o 396.9974 6.020893 2103.468       58.15215 2072.166      68.56905 2183.658       109.7489 392.0147 6.495946 401.9802 10.13939 -9.965485      12.04179 
1 1 1 5   15 13 o 265.5972 5.250135 953.9877       32.47866 954.9688      37.49899 951.0418       64.97888 266.1006 5.233476 265.0938 9.103099 1.006836       10.50027 
1 1 1 5   15 14 o 44.76443 12.45641 15.45718       16.70541 14.09612      18.08408 23.37643       43.62138 36.68770 13.66862 52.84118 20.82828 -16.15348      24.91282 
1 1 1 5   15 15 o 48.20325 12.98180 24.95505       20.09270 29.38566      22.03762 3.125520       48.91650 46.97116 15.23934 49.43534 21.02072 -2.464172      25.96360 
1 1 1 5   15 16 o 147.1906 9.932587 333.7068       28.07389 352.6590      30.98015 246.6748       66.38870 161.4134 7.127883 132.9677 18.54234 28.44568       19.86517 
1 1 1 5   15 17 o 313.4034 7.575727 1262.971       54.15188 1186.018      61.13891 1543.105       116.6508 294.7744 7.702728 332.0324 13.04740 -37.25806      15.15145 
1 1 1 5   15 18 o 71.53281 17.23439 53.74005       31.57741 31.56740      34.31741 176.1929       80.64737 48.76655 18.68037 94.29906 28.96792 -45.53251      34.46877 
1 1 1 5   15 19 o 109.8652 15.00036 210.1583       30.08421 219.6307      32.60799 155.9738       77.98843 125.8414 9.623148 93.88903 28.41546 31.95237       30.00072 
1 1 1 5   15 20 o 59.26337 14.10852 59.35250       27.85469 73.68332      30.15839 -23.84629      72.66599 69.06433 16.45185 49.46241 22.92461 19.60192       28.21704 
1 1 1 5   15 21 o 73.74168 14.26985 100.5051       28.22140 108.9053      31.29119 63.88396       65.33430 85.65019 13.56783 61.83318 25.10835 23.81701       28.53971 
1 1 1 5   15 22 f 44.88934 13.51134 26.63395       27.40643 33.76768      31.05951 1.546283       58.24603 45.90740 17.72337 43.87129 20.39871 2.036114       27.02268 
1 1 1 5   17 0  f 89.33611 4.814347 107.7733       11.56533 108.2013      15.96295 107.3004       16.77925 89.52956 6.621607 89.14265 6.990427 0.3869171      9.628695 
1 1 1 5   17 1  o 46.58045 8.811893 30.68126       11.29132 33.41566      15.29743 27.40840       16.73603 48.64602 11.79951 44.51487 13.09081 4.131149       17.62379 
1 1 1 5   17 2  o 555.8303 6.090737 4179.916       91.14481 4216.292      130.2234 4144.984       127.6127 558.1840 8.664195 553.4766 8.562711 4.707336       12.18147 
1 1 1 5   17 3  f 186.2254 3.271786 462.8887       16.32365 517.7328      24.60502 419.7731       21.81604 195.9798 4.662611 176.4711 4.591121 19.50861       6.543572 
1 1 1 5   17 4  o 210.0013 4.826859 594.4515       27.29418 594.4515      27.29418 0.000000       0.000000 210.0013 4.826859 ?        ?        ?              ?        
1 1 1 5   17 5  o 137.0990 3.982188 254.1529       14.58727 259.6849      19.57538 247.2450       21.87461 138.7949 5.237852 135.4031 5.999683 3.391769       7.964376 
1 1 1 5   17 6  o 333.4813 4.028565 1490.871       35.98948 1579.250      54.25828 1421.440       48.09150 342.2410 5.887766 324.7215 5.500141 17.51950       8.057130 
1 1 1 5   17 7  o 530.1228 5.847521 3788.215       83.35423 3908.424      121.7894 3682.288       114.3257 537.9955 8.407124 522.2501 8.129839 15.74542       11.69504 
1 1 1 5   17 8  o 181.8717 3.524611 446.4590       16.92588 441.9659      26.62567 449.5061       21.92647 181.0863 5.460489 182.6570 4.458092 -1.570694      7.049221 
1 1 1 5   17 9  o 81.41028 6.408423 85.65966       13.35022 101.6625      23.55502 78.08640       16.20412 86.74519 10.08451 76.07537 7.910393 10.66982       12.81685 
1 1 1 5   17 10 o 923.5013 9.934629 11551.93       246.8149 11849.86      358.4027 11283.19       340.3913 934.7246 14.23981 912.2781 13.85695 22.44647       19.86926 
1 1 1 5   17 11 o 99.49452 8.207395 133.8172       21.98811 0.000000      0.000000 133.8172       21.98811 ?        ?        99.49452 8.207395 ?              ?        
1 1 1 5   17 12 o 589.5401 6.539092 4707.772       103.7950 4671.256      145.6375 4745.465       147.9669 587.2317 9.210437 591.8485 9.284758 -4.616821      13.07818 
1 1 1 5   17 13 f 287.4568 5.468066 1097.046       37.00042 1075.367      42.74087 1161.882       73.91547 282.2395 5.623960 292.6742 9.379236 -10.43475      10.93613 
1 1 1 5   17 14 o 51.51015 22.21764 -93.91535      21.07258 -109.1339     22.73753 -1.267836      56.10136 ?        ?        51.51015 22.21764 ?              ?        
1 1 1 5   17 15 o 163.6414 8.386826 317.3467       27.95897 294.9530      30.31889 444.6293       72.28277 147.5777 7.629729 179.7050 14.93796 -32.12727      16.77365 
1 1 1 5   17 16 o 180.8856 13.46281 450.6039       65.46854 445.6304      94.98172 455.1055       90.36379 179.8124 19.61720 181.9589 18.44327 -2.146500      26.92562 
1 1 1 5   17 17 f 37.83446 12.85627 -20.69443      24.32317 -12.65472     25.63612 -93.20761      76.99111 31.07819 14.10733 44.59073 21.49693 -13.51254      25.71254 
1 1 1 5   17 18 o 138.1966 10.34550 258.3532       27.69198 251.3529      29.98785 298.8904       72.16280 135.1977 8.237446 141.1955 18.98056 -5.997818      20.69099 
1 1 1 5   17 19 o 92.09502 14.42007 154.7963       27.40239 164.1047      29.85134 104.9459       69.08127 108.0187 10.26317 76.17129 26.95220 31.84745       28.84014 
1 1 1 5   17 20 o 43.07729 13.52971 6.721130       25.01144 4.170249      27.67219 18.10494       58.45778 35.96755 15.55859 50.18704 22.13915 -14.21949      27.05941 
1 1 1 5   17 21 o 62.10847 13.90532 81.02135       27.36485 89.88557      30.23758 40.90780       64.32386 73.02885 15.83330 51.18810 22.86346 21.84075       27.81063 
1 1 1 5   19 0  o 593.3344 6.499462 4737.696       103.5153 4525.681      139.8796 4994.374       153.9095 578.7703 8.975629 607.8984 9.402666 -29.12811      12.99892 
1 1 1 5   19 1  o 334.5773 4.130806 1508.799       37.20799 1483.497      52.02001 1535.303       53.24134 331.7077 5.824136 337.4469 5.859496 -5.739197      8.261613 
1 1 1 5   19 2  o 219.4591 3.552421 647.4252       20.94444 672.9821      30.89062 625.6797       28.49412 223.4520 5.134036 215.4661 4.911259 7.985916       7.104843 
1 1 1 5   19 3  o 249.1532 3.596561 831.9352       24.03048 887.7908      36.01292 787.1041       32.26380 256.6422 5.211310 241.6643 4.958149 14.97787       7.193122 
1 1 1 5   19 4  o 406.3943 6.742012 2227.568       73.77692 2227.568      73.77692 0.000000       0.000000 406.3943 6.742012 ?        ?        ?              ?        
1 1 1 5   19 5  f 606.3807 6.650333 4960.396       108.4906 5091.920      157.4480 4841.494       149.7027 614.0016 9.523229 598.7598 9.285248 15.24182       13.30067 
1 1 1 5   19 6  o 291.0209 3.940836 1139.456       30.82398 1110.516      42.11462 1172.845       45.23594 287.0550 5.448593 294.9868 5.695050 -7.931793      7.881673 
1 1 1 5   19 7  o 180.6856 3.539404 435.9477       17.03113 465.9136      26.44478 414.7100       22.26281 185.9338 5.281999 175.4374 4.712750 10.49634       7.078809 
1 1 1 5   19 8  o 85.13493 5.498484 93.66780       12.29196 117.4592      20.33156 79.96223       15.43153 93.28596 8.094148 76.98389 7.444332 16.30206       10.99697 
1 1 1 5   19 9  o 160.2428 3.905814 350.2092       16.22972 331.6449      26.45933 361.4068       20.54954 156.7565 6.268590 163.7291 4.661149 -6.972580      7.811628 
1 1 1 5   19 10 o 226.9979 5.068099 695.0653       30.97779 0.000000      0.000000 695.0653       30.97779 ?        ?        226.9979 5.068099 ?              ?        
1 1 1 5   19 11 o 84.67775 8.523211 110.8271       16.76233 66.05518      27.03990 138.7710       21.36220 68.09408 15.13932 101.2614 7.834631 -33.16734      17.04642 
1 1 1 5   19 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 14 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 15 o 173.2214 9.847993 375.1432       36.69503 350.4533      40.48886 488.6781       86.82412 160.2396 9.383881 186.2032 17.31689 -25.96364      19.69599 
1 1 1 5   19 16 o 142.7479 9.777754 274.7159       28.99876 266.6383      31.92859 312.7689       69.29977 139.3172 8.511217 146.1785 17.60616 -6.861343      19.55551 
1 1 1 5   19 17 o 113.7296 10.77305 159.5105       27.22393 141.2055      30.18707 239.2592       63.00836 100.5331 11.15138 126.9261 18.43587 -26.39304      21.54610 
1 1 1 5   19 18 o 56.90639 14.54898 48.77107       25.48565 50.83624      28.24842 39.73559       59.08712 56.95930 17.07090 56.85349 23.56428 0.1058083      29.09795 
1 1 1 5   19 19 o 53.80331 14.89489 30.79769       26.85885 14.98859      30.29230 88.91788       58.08208 40.32940 16.80676 67.27722 24.59603 -26.94782      29.78979 
1 1 1 5   19 20 o 54.45795 14.66494 59.48038       28.68138 61.29902      32.67716 53.37841       59.85574 56.81506 18.56300 52.10085 22.70808 4.714214       29.32988 
1 1 1 5   21 0  o 332.9675 4.238888 1494.182       37.99814 1479.351      53.15076 1509.687       54.34407 331.2804 5.958411 334.6547 6.030756 -3.374359      8.477776 
1 1 1 5   21 1  o 339.3694 4.270937 1552.523       39.02800 1560.502      55.29006 1544.599       55.09829 340.2389 6.035034 338.5000 6.044996 1.738892       8.541874 
1 1 1 5   21 2  o 247.6288 3.756532 826.4020       25.04754 830.3034      35.38835 822.4854       35.45690 248.2152 5.294787 247.0423 5.330231 1.172958       7.513064 
1 1 1 5   21 3  o 84.19340 6.619299 95.87598       14.90356 110.7219      21.37788 81.83790       20.78812 90.56010 8.766866 77.82670 9.919806 12.73340       13.23860 
1 1 1 5   21 4  o 304.9442 4.027228 1253.461       33.06804 1252.307      46.81493 1254.609       46.71577 304.8036 5.704018 305.0847 5.686691 -0.2811279     8.054457 
1 1 1 5   21 5  f 150.8625 4.631283 307.1330       18.69633 354.1379      26.92277 263.3507       25.98345 162.0314 6.170740 139.6936 6.907755 22.33778       9.262566 
1 1 1 5   21 6  o 273.6371 4.057117 1009.659       29.85199 1000.740      41.06591 1019.653       43.47083 272.3697 5.599372 274.9044 5.872632 -2.534790      8.114233 
1 1 1 5   21 7  o 241.8037 3.943158 788.0333       25.64360 771.2344      35.27317 806.8652       37.34664 239.0829 5.479141 244.5245 5.672125 -5.441544      7.886317 
1 1 1 5   21 8  o 134.7653 4.494349 247.4229       16.00112 233.7320      24.79388 257.1953       20.94734 131.4954 7.002458 138.0352 5.635803 -6.539734      8.988698 
1 1 1 5   21 9  o 27.47583 8.874574 -12.24800      14.23634 -24.20808     24.61438 -6.236031      17.45140 27.95185 13.08352 26.99981 11.99391 0.9520493      17.74915 
1 1 1 5   21 10 o 271.6263 6.401828 997.3970       46.82299 997.3970      46.82299 0.000000       0.000000 271.6263 6.401828 ?        ?        ?              ?        
1 1 1 5   21 11 o 81.00186 17.10892 94.15372       36.14661 94.15372      36.14661 0.000000       0.000000 81.00186 17.10892 ?        ?        ?              ?        
1 1 1 5   21 12 o 33.05928 15.26159 -20.96385      31.73877 0.000000      0.000000 -20.96385      31.73877 ?        ?        33.05928 15.26159 ?              ?        
1 1 1 5   21 13 o 44.07233 19.50093 -91.85084      29.48974 -12.07478     45.69439 -148.7949      38.60564 44.07233 19.50093 ?        ?        ?              ?        
1 1 1 5   21 14 o 154.3320 8.765714 326.2155       36.42728 0.000000      0.000000 326.2155       36.42728 ?        ?        154.3320 8.765714 ?              ?        
1 1 1 5   21 15 o 270.3656 6.602348 997.2207       48.06548 0.000000      0.000000 997.2207       48.06548 ?        ?        270.3656 6.602348 ?              ?        
1 1 1 5   21 16 o 78.93526 13.26514 118.8186       29.22274 146.2604      33.85793 38.67088       57.86281 100.9717 12.45310 56.89881 23.42597 44.07291       26.53028 
1 1 1 5   21 17 o 129.7274 13.34043 329.0512       33.23225 388.3590      38.70496 162.6812       64.82584 166.4908 8.633619 92.96398 25.24537 73.52685       26.68086 
1 1 1 5   21 18 o 62.87234 15.92825 68.25347       30.43429 54.94773      34.97219 109.7766       61.78003 55.52468 19.20946 70.22000 25.41323 -14.69532      31.85649 
1 1 1 5   21 19 o 44.13497 13.54602 25.99290       24.37084 25.19317      26.45776 30.47080       62.60612 40.82816 16.18039 47.44178 21.72955 -6.613625      27.09203 
1 1 1 5   23 0  o 245.7168 4.066920 815.1065       26.86838 825.5222      37.13945 803.6693       38.91818 247.3801 5.575546 244.0534 5.922216 3.326691       8.133840 
1 1 1 5   23 1  o 339.3262 4.428301 1554.122       40.45559 1588.843      57.38649 1519.819       57.04079 343.1008 6.211615 335.5516 6.313102 7.549164       8.856603 
1 1 1 5   23 2  o 144.2856 4.783617 281.3007       18.54845 282.9373      25.48612 279.4576       27.04630 144.7474 6.538974 143.8239 6.983825 0.9234161      9.567235 
1 1 1 5   23 3  o 153.1347 4.620436 317.3929       18.84428 380.2430      27.16007 259.0534       26.16733 167.8207 6.010378 138.4487 7.019193 29.37207       9.240872 
1 1 1 5   23 4  o 243.8872 4.004387 802.3788       26.28315 840.1165      37.67115 766.5845       36.68831 249.4772 5.607828 238.2971 5.717754 11.18004       8.008774 
1 1 1 5   23 5  o 176.9104 4.634217 425.2355       21.93837 472.2440      30.71403 376.2702       31.34673 186.9905 6.100056 166.8302 6.978050 20.16029       9.268435 
1 1 1 5   23 6  o 376.8499 6.738313 1919.189       68.37588 1919.189      68.37588 0.000000       0.000000 376.8499 6.738313 ?        ?        ?              ?        
1 1 1 5   23 7  o 42.97568 12.29480 11.89165       22.09177 15.71420      29.88413 7.285440       32.80468 43.70208 17.23517 42.24928 17.53846 1.452801       24.58961 
1 1 1 5   23 8  o 241.7407 6.531935 790.2342       42.51822 790.2342      42.51822 0.000000       0.000000 241.7407 6.531935 ?        ?        ?              ?        
1 1 1 5   23 9  o 47.19925 12.33051 21.87946       20.72760 49.93107      35.05383 6.798310       25.70240 57.59578 19.24483 36.80272 15.42084 20.79306       24.66101 
1 1 1 5   23 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   23 11 o 54.78975 17.59224 47.00437       29.42583 0.000000      0.000000 47.00437       29.42583 ?        ?        54.78975 17.59224 ?              ?        
1 1 1 5   23 12 o 289.6024 4.791110 1143.524       37.15708 1144.690      55.52045 1142.578       50.00703 289.5444 7.121220 289.6603 6.411486 -0.1158447     9.582219 
1 1 1 5   23 13 o 331.8154 6.731601 1502.457       60.14482 0.000000      0.000000 1502.457       60.14482 ?        ?        331.8154 6.731601 ?              ?        
1 1 1 5   23 14 o 94.13122 10.04649 131.8125       24.11577 124.6711      38.08506 136.5924       31.15807 90.37405 16.24780 97.88838 11.82105 -7.514328      20.09299 
1 1 1 5   23 15 o 179.8680 6.285662 454.8022       29.36222 448.1332      48.04858 458.7769       37.09422 177.8375 10.03399 181.8985 7.573450 -4.060989      12.57132 
1 1 1 5   23 16 o 60.45687 13.49582 60.57236       25.80160 94.51457      39.26362 34.77507       34.23003 72.95712 19.57846 47.95662 18.58042 25.00051       26.99163 
1 1 1 5   23 17 o 37.50412 12.06656 -5.199657      28.12675 -37.50818     40.33347 25.38610       39.24340 31.60985 15.31669 43.39839 18.64956 -11.78855      24.13311 
1 1 1 5   25 0  o 41.53461 11.70720 8.576194       21.44303 27.63623      26.84168 -25.04408      35.64910 47.58856 16.80447 35.48067 16.30473 12.10788       23.41441 
1 1 1 5   25 1  o 253.7695 4.671446 873.4663       31.75207 900.1001      43.14701 842.0042       46.89523 258.0664 6.209202 249.4725 6.981078 8.593903       9.342893 
1 1 1 5   25 2  o 134.6574 6.582268 246.0533       23.69667 243.8052      31.61617 248.9352       35.79601 134.0263 8.760640 135.2886 9.826302 -1.262268      13.16454 
1 1 1 5   25 3  o 291.0279 4.623229 1143.862       36.14981 1122.999      49.31784 1168.088       53.14332 288.1998 6.355168 293.8560 6.716309 -5.656219      9.246457 
1 1 1 5   25 4  o 41.58451 12.22277 6.728775       22.24617 5.542049      28.92255 8.447928       34.81119 39.44867 16.42959 43.72035 18.10119 -4.271687      24.44554 
1 1 1 5   25 5  o 188.9574 7.243309 488.6440       36.85396 488.6440      36.85396 0.000000       0.000000 188.9574 7.243309 ?        ?        ?              ?        
1 1 1 5   25 6  o 67.01450 20.27108 63.34200       39.69715 63.34200      39.69715 0.000000       0.000000 67.01450 20.27108 ?        ?        ?              ?        
1 1 1 5   25 7  o 177.8398 10.31935 428.7526       49.41564 428.7526      49.41564 0.000000       0.000000 177.8398 10.31935 ?        ?        ?              ?        
1 1 1 5   25 8  o 60.76169 20.22886 59.91825       38.73834 59.91825      38.73834 0.000000       0.000000 60.76169 20.22886 ?        ?        ?              ?        
1 1 1 5   25 9  o 182.7848 5.343588 442.6205       25.52680 513.3989      42.61238 403.0049       31.88004 193.6090 8.173855 171.9605 6.885044 21.64847       10.68718 
1 1 1 5   25 10 o 177.2466 5.378487 429.5263       24.77208 435.2339      40.85824 426.2088       31.15040 177.7623 8.536045 176.7310 6.545871 1.031204       10.75697 
1 1 1 5   25 11 o 44.06628 12.38633 19.58189       21.68276 16.84060      34.75183 21.32931       27.74579 44.63730 18.23998 43.49525 16.76268 1.142048       24.77266 
1 1 1 5   25 12 o 29.65348 10.03687 -36.59544      21.49028 -21.39295     35.36383 -45.49665      27.05992 34.34078 15.94308 24.96618 12.19725 9.374598       20.07373 
1 1 1 5   25 13 o 37.70563 11.81078 -4.404142      22.92664 16.86681      38.42095 -16.16661      28.57089 44.32268 18.72730 31.08857 14.39674 13.23411       23.62155 
1 1 1 5   25 14 o 117.5138 8.579989 206.6225       25.76045 204.9686      43.44810 207.5191       31.98963 115.2105 14.00540 119.8171 9.915326 -4.606613      17.15998 
1 1 1 5   25 15 o 54.23088 13.48817 58.66758       26.83784 28.47558      43.50199 77.22007       34.10078 44.87602 19.45976 63.58575 18.68262 -18.70972      26.97633 
1 1 1 5   27 0  o 182.2893 7.572192 417.3524       35.67709 334.9895      43.64349 583.2584       61.94195 157.2247 10.30897 207.3539 11.09403 -50.12926      15.14438 
1 1 1 5   27 1  o 37.34496 12.16070 -29.75211      28.37332 -8.531720     34.33614 -75.43867      50.38126 38.62896 17.00756 36.06097 17.38601 2.567986       24.32140 
1 1 1 5   27 2  o 308.9824 7.002211 1301.362       58.25757 1301.362      58.25757 0.000000       0.000000 308.9824 7.002211 ?        ?        ?              ?        
1 1 1 5   27 3  o 187.3187 6.029375 488.1091       29.73911 496.1269      38.46564 476.1951       46.88921 189.8243 7.525541 184.8131 9.422297 5.011261       12.05875 
1 1 1 5   27 4  o 117.9800 8.209261 195.7446       25.30516 207.2463      32.71833 178.6218       39.92054 122.8079 9.894216 113.1521 13.10238 9.655769       16.41852 
1 1 1 5   27 5  o 81.65469 12.02185 105.6418       25.09787 123.4859      31.74989 75.91808       40.97752 93.55883 12.60300 69.75055 20.47593 23.80828       24.04370 
1 1 1 5   27 6  o 112.2479 11.12744 176.3477       33.63232 176.3477      33.63232 0.000000       0.000000 112.2479 11.12744 ?        ?        ?              ?        
1 1 1 5   27 7  o 294.3397 6.779939 1182.503       53.73510 1182.503      53.73510 0.000000       0.000000 294.3397 6.779939 ?        ?        ?              ?        
1 1 1 5   27 8  f 229.2848 5.185740 723.6599       31.86931 813.8452      45.60628 637.5952       44.55222 243.5010 6.955695 215.0685 7.693236 28.43248       10.37148 
1 1 1 5   27 9  o 109.2383 9.042944 171.9753       26.23971 168.1051      34.28761 177.4457       40.76425 108.3556 11.75174 110.1209 13.74758 -1.765289      18.08589 
1 1 1 5   27 10 o 113.3265 8.000947 186.9378       23.99395 150.4335      34.06252 222.8903       33.80409 101.4247 12.47239 125.2284 10.02497 -23.80367      16.00189 
1 1 1 5   27 11 o 119.6481 7.869877 209.2229       25.23553 210.3405      37.52192 208.2999       34.09988 119.4740 11.66348 119.8221 10.56896 -0.3481216     15.73975 
1 1 1 5   27 12 o 44.13278 12.34783 21.64453       22.43254 56.73721      36.35969 0.7744914E-01  28.50411 54.59189 19.52808 33.67367 15.11721 20.91822       24.69567 
1 1 1 5   27 13 o 47.14466 11.27118 33.43515       22.89191 -30.16784     37.42872 71.44596       28.93475 31.31293 15.06863 62.97639 16.76587 -31.66346      22.54235 
1 1 1 5   29 0  o 181.1953 5.828097 455.7201       27.45012 469.2187      34.88929 433.7876       44.47264 185.2777 6.993353 177.1128 9.325229 8.164902       11.65619 
1 1 1 5   29 1  f 67.58733 12.66561 74.08197       23.91298 88.19883      30.16589 50.20958       39.22790 76.90584 15.10607 58.26883 20.33414 18.63700       25.33122 
1 1 1 5   29 2  o 83.03483 11.73923 110.5502       24.70184 128.6638      31.46049 81.43237       39.88801 94.98003 12.30126 71.08962 19.99794 23.89041       23.47847 
1 1 1 5   29 3  f 32.89918 10.93225 -25.95156      24.01781 -19.00212     29.94521 -38.48460      40.21430 31.78947 14.72753 34.00889 16.16033 -2.219416      21.86450 
1 1 1 5   29 4  o 148.0570 6.679042 312.5294       25.65748 331.0680      32.86853 283.6120       41.05072 154.6466 7.893260 141.4673 10.77659 13.17928       13.35808 
1 1 1 5   29 5  o 131.5745 7.535904 246.9132       25.91945 249.2739      33.09208 243.1664       41.69101 133.2760 9.221227 129.8729 11.92176 3.403061       15.07181 
1 1 1 5   29 6  o 67.94991 13.23578 79.92211       25.08156 88.50438      31.16260 64.13670       42.26303 74.78680 15.96089 61.11301 21.11856 13.67378       26.47156 
1 1 1 5   29 7  o 48.82441 13.45497 35.52187       24.92411 39.33313      30.03468 27.09235       44.66728 49.68606 17.75110 47.96276 20.22482 1.723297       26.90994 
1 1 1 5   29 8  o 121.9898 8.965151 234.9867       27.52018 262.5340      35.03854 190.6289       44.46228 134.6480 9.664125 109.3315 15.10299 25.31651       17.93030 
1 1 1 5   29 9  o 37.64083 12.05756 4.035248       26.09260 4.990516      34.25106 2.714194       40.27834 36.90725 16.56989 38.37441 17.52077 -1.467163      24.11511 
1 1 1 5   31 0  o 37.47958 11.96469 -1.340376      24.59965 -2.618185     30.54769 1.016979       41.49139 34.77605 15.62817 40.18310 18.12114 -5.407051      23.92939 
1 1 1 5   31 1  o 35.74707 11.52744 -6.193617      24.72801 4.370212      31.59396 -22.89764      39.72866 36.88232 16.27260 34.61182 16.33187 2.270508       23.05488 
1 1 1 5   31 2  o 118.7675 8.588291 219.5714       26.05998 241.2996      33.43650 185.9489       41.59333 128.9216 9.631897 108.6134 14.22187 20.30814       17.17658 
1 1 1 5   31 3  o 38.82551 12.09878 11.05017       24.34093 14.19409      31.00235 5.997578       39.30212 38.57455 16.57634 39.07647 17.62800 -0.5019188     24.19755 
1 1 1 5   31 4  o 138.7095 7.201945 280.8977       26.63826 239.2792      35.09364 337.4766       40.91785 126.6812 10.28805 150.7379 10.08108 -24.05667      14.40389 
1 1 1 5   31 5  o 40.94548 12.25157 18.75485       25.04145 37.94261      32.20308 -10.59445      39.82760 46.43403 18.01316 35.45694 16.61114 10.97709       24.50314 
1 1 1 6   0  0  o 1186.624 17.75448 19016.52       566.6036 19255.13      811.1099 18789.13       791.8347 1193.877 25.25663 1179.370 24.95975 -0.000000      0.000000 
1 1 1 6   0  1  f 1256.014 18.80828 21327.13       635.4282 21460.39      903.9802 21196.97       893.3759 1259.882 26.67382 1252.145 26.52383 -0.000000      0.000000 
1 1 1 6   0  2  o 23.95163 8.438266 11.19457       6.683190 9.066840      9.248287 13.52012       9.668637 21.70636 11.59724 26.19691 12.26056 -0.000000      0.000000 
1 1 1 6   0  3  o 392.1501 6.092117 2073.776       64.25840 2077.800      90.96548 2069.769       90.78499 392.5303 8.615740 391.7700 8.615370 -0.000000      0.000000 
1 1 1 6   0  4  o 951.9290 14.29070 12226.09       365.8477 12080.36      510.8723 12379.51       524.1568 946.1152 20.07365 957.7428 20.34565 -0.000000      0.000000 
1 1 1 6   0  5  f 2486.249 52.78399 83914.39       3530.109 0.000000      0.000000 83914.39       3530.109 2486.249 52.78399 2486.249 52.78399 -0.000000      0.000000 
1 1 1 6   0  6  o 999.9008 15.01732 13480.96       403.6140 13817.25      584.5942 13174.65       557.9317 1011.793 21.47937 988.0089 20.99325 -0.000000      0.000000 
1 1 1 6   0  7  o 458.8593 7.181118 2839.625       88.62247 2819.790      124.4453 2860.037       126.2361 457.2341 10.11898 460.4844 10.19215 -0.000000      0.000000 
1 1 1 6   0  8  o 886.0150 13.38860 10593.11       318.8340 10343.37      440.3897 10868.20       462.1991 875.0719 18.70933 896.9581 19.15671 -0.000000      0.000000 
1 1 1 6   0  9  o 847.5176 12.85966 9721.152       293.1530 9771.034      416.7247 9672.284       412.4700 849.6611 18.23357 845.3740 18.13893 -0.000000      0.000000 
1 1 1 6   0  10 o 144.9844 5.456135 284.9288       21.13198 301.8443      30.89307 270.0540       28.96981 149.0459 7.745397 140.9229 7.686771 -0.000000      0.000000 
1 1 1 6   0  11 o 372.7865 6.399726 1877.097       64.13216 1817.259      89.42438 1940.465       92.02467 366.6596 9.070062 378.9134 9.031054 -0.000000      0.000000 
1 1 1 6   0  12 o 123.8586 7.158150 214.0770       23.13361 187.8038      34.20087 236.2356       31.40889 116.3212 11.15492 131.3959 8.973522 -0.000000      0.000000 
1 1 1 6   0  13 o 81.17501 12.57051 95.89442       23.46002 127.2175      39.02283 78.16592       29.35774 92.34550 17.53221 70.00452 18.01924 -0.000000      0.000000 
1 1 1 6   0  14 o 246.2228 5.926018 813.7714       38.50315 854.2638      60.99397 786.9456       49.64498 251.1921 9.044333 241.2534 7.659687 -0.000000      0.000000 
1 1 1 6   0  15 o 64.97290 17.05584 76.73375       26.67488 74.02784      49.79194 77.82296       31.59067 61.16400 27.86400 68.78179 19.67750 -0.000000      0.000000 
1 1 1 6   0  16 o 565.7798 9.340438 4329.402       142.0760 4179.286      199.6839 4483.311       202.1911 555.8020 13.36001 575.7577 13.05700 -0.000000      0.000000 
1 1 1 6   0  17 o 284.6043 7.249470 1111.397       53.61089 1041.919      85.97270 1155.604       68.57723 276.9423 11.57487 292.2663 8.731643 -0.000000      0.000000 
1 1 1 6   0  18 o 286.0344 7.861807 1107.396       57.40630 1126.165      97.86281 1097.550       70.88274 287.4794 12.69873 284.5894 9.272226 -0.000000      0.000000 
1 1 1 6   0  19 o 162.4746 12.58137 348.4932       46.31824 421.8429      95.14651 325.7117       53.02554 171.5860 21.50919 153.3631 13.05827 -0.000000      0.000000 
1 1 1 6   0  20 o 62.55205 22.45289 83.48227       51.19402 -39.23046     133.7241 104.5558       55.41573 50.97740 34.26999 74.12669 29.01890 -0.000000      0.000000 
1 1 1 6   0  21 o 49.71151 24.02477 -35.30857      80.30012 -116.0314     189.7641 -17.70137      88.62598 55.85964 38.43199 43.56337 28.83990 -0.000000      0.000000 
1 1 1 6   0  22 o 58.70197 26.05383 56.80547       58.67538 102.2179      179.5924 51.37878       62.08225 67.98262 43.53901 49.42131 28.62799 -0.000000      0.000000 
1 1 1 6   0  23 o 159.6974 19.91464 381.4776       59.12930 474.0262      138.8839 360.9884       65.34762 161.6564 36.58495 157.7383 15.74528 -0.000000      0.000000 
1 1 1 6   0  24 f 41.01537 19.55641 3.726037       51.73773 39.05761      106.1831 -7.273580      59.24649 48.30209 31.84104 33.72865 22.71476 -0.000000      0.000000 
1 1 1 6   0  25 o 36.85762 17.25076 20.92848       44.73974 15.57254      67.79450 25.06064       59.54774 36.59125 24.53980 37.12400 24.25186 -0.000000      0.000000 
1 1 1 6   2  0  o 329.9870 3.608158 1466.291       32.05933 1461.413      45.14735 1471.252       45.53259 329.4336 5.089568 330.5403 5.115811 -1.106750      7.216317 
1 1 1 6   2  1  o 178.5577 2.316598 429.0831       11.13459 421.6023      15.50976 437.0392       15.99482 176.9526 3.255104 180.1628 3.297091 -3.210220      4.633196 
1 1 1 6   2  2  o 1243.306 13.13521 20854.09       439.7160 20718.20      617.7637 20993.64       626.0232 1239.210 18.51374 1247.402 18.63805 -8.192749      26.27043 
1 1 1 6   2  3  o 777.7028 8.251219 8146.806       172.7697 8223.174      246.5493 8073.124       242.1758 781.2811 11.71961 774.1243 11.61814 7.156799       16.50244 
1 1 1 6   2  4  o 207.6786 2.747944 580.5352       15.36182 587.8085      22.05825 573.6855       21.40622 208.9411 3.920701 206.4161 3.851350 2.525040       5.495889 
1 1 1 6   2  5  o 1434.822 15.16256 27792.03       585.8011 27725.70      826.3859 27859.02       830.5255 1433.107 21.41514 1436.538 21.47101 -3.431274      30.32512 
1 1 1 6   2  6  o 1679.129 17.74177 38078.06       802.1200 37840.25      1127.125 38322.07       1141.754 1673.835 25.00784 1684.422 25.17318 -10.58752      35.48354 
1 1 1 6   2  7  o 1467.896 15.53934 29110.95       614.1997 29070.07      867.1485 29152.11       870.0781 1466.867 21.95429 1468.925 21.99759 -2.058350      31.07868 
1 1 1 6   2  8  o 1139.202 12.11300 17494.66       370.8807 16920.04      506.3669 18159.68       544.7421 1119.143 16.80337 1159.261 17.45124 -40.11755      24.22600 
1 1 1 6   2  9  o 150.9498 3.582063 306.8234       14.51687 304.9074      19.75723 309.0714       21.40106 150.4417 4.877242 151.4579 5.247591 -1.016159      7.164126 
1 1 1 6   2  10 o 297.3401 3.863697 1190.239       30.91359 1246.541      44.62408 1138.287       42.86576 304.0930 5.449785 290.5871 5.478363 13.50595       7.727394 
1 1 1 6   2  11 o 190.0922 3.800475 487.1728       19.36934 486.1595      26.19305 488.3956       28.77314 189.8880 5.122774 190.2964 5.615304 -0.4083710     7.600951 
1 1 1 6   2  12 o 159.3168 4.244957 342.8297       18.09187 345.7172      24.29712 339.2367       27.10389 160.0910 5.636436 158.5426 6.348955 1.548401       8.489914 
1 1 1 6   2  13 o 241.5677 4.099099 787.8754       26.60424 801.4883      36.61401 772.6495       38.72262 243.7961 5.577469 239.3393 6.008517 4.456787       8.198197 
1 1 1 6   2  14 o 97.15638 7.446872 132.0206       18.80679 152.5022      24.94138 105.0278       28.63272 106.2594 8.717051 88.05334 12.07628 18.20609       14.89374 
1 1 1 6   2  15 o 186.0648 5.000795 470.1276       24.69730 487.6719      32.65694 446.6864       37.74813 190.1795 6.377176 181.9502 7.704767 8.229263       10.00159 
1 1 1 6   2  16 o 195.7720 5.230514 515.0192       27.30433 503.2852      35.99375 530.9240       41.90519 193.1793 6.919635 198.3646 7.845492 -5.185333      10.46103 
1 1 1 6   2  17 o 59.74622 13.06374 48.19730       23.22637 39.66707      31.48799 58.37751       34.39877 55.01395 18.23414 64.47848 18.71260 -9.464527      26.12748 
1 1 1 6   2  18 o 200.7769 5.746181 545.6263       30.93361 545.9135      41.87348 545.2813       45.89619 200.8840 7.741238 200.6699 8.493977 0.2140656      11.49236 
1 1 1 6   2  19 o 56.90054 14.29838 34.23730       30.52370 65.40340      40.55974 -6.465677      46.35184 68.01919 20.47112 45.78188 19.96768 22.23731       28.59677 
1 1 1 6   2  20 o 180.8584 8.319541 447.5719       40.33516 445.2301      54.47922 450.4129       60.00542 180.4734 11.21074 181.2435 12.29546 -0.7701111     16.63908 
1 1 1 6   2  21 f 65.38594 27.43873 18.53469       81.57317 0.000000      0.000000 18.53469       81.57317 ?        ?        65.38594 27.43873 ?              ?        
1 1 1 6   2  22 o 65.43945 17.65344 61.36966       43.23571 53.55823      59.56072 70.07096       62.86180 62.84034 24.46414 68.03857 25.45746 -5.198231      35.30689 
1 1 1 6   2  23 o 53.08945 15.80473 24.31937       39.23335 42.62265      53.78919 3.512161       57.35055 57.21581 22.93963 48.96310 21.74699 8.252712       31.60946 
1 1 1 6   2  24 o 49.38151 15.26157 13.60757       39.29850 -15.69239     53.24702 48.66135       58.24107 42.18299 19.57658 56.58003 23.41835 -14.39704      30.52313 
1 1 1 6   2  25 o 61.06324 15.22539 79.74039       32.55783 104.3393      45.84994 54.72121       46.23999 69.89189 21.90375 52.23459 21.15362 17.65730       30.45078 
1 1 1 6   4  0  o 455.1483 6.021448 2789.187       69.27408 2786.596      84.46679 2794.512       121.0722 454.8672 6.896329 455.4295 9.872789 -0.5623169     12.04290 
1 1 1 6   4  1  o 1216.736 18.18299 19971.14       595.7242 19971.14      595.7242 0.000000       0.000000 1216.736 18.18299 ?        ?        ?              ?        
1 1 1 6   4  2  o 927.1733 9.818719 11583.43       245.1190 11522.39      344.5842 11645.96       348.7547 924.7035 13.83915 929.6431 13.93222 -4.939575      19.63744 
1 1 1 6   4  3  o 1358.049 14.35166 24877.80       524.7149 24606.18      733.7635 25162.07       750.6422 1350.481 20.17828 1365.617 20.41365 -15.13574      28.70331 
1 1 1 6   4  4  o 1482.254 15.65264 29648.77       624.7260 29574.01      881.2122 29724.31       885.7977 1480.380 22.10670 1484.128 22.16561 -3.747925      31.30527 
1 1 1 6   4  5  o 1314.320 13.89764 23298.93       491.7303 23017.83      686.6700 23594.81       704.4958 1306.203 19.52333 1322.437 19.78428 -16.23340      27.79529 
1 1 1 6   4  6  o 804.9418 8.576765 8731.211       185.8951 8723.260      262.3195 8739.231       263.4751 804.5750 12.10823 805.3087 12.15049 -0.7337036     17.15353 
1 1 1 6   4  7  o 717.8339 7.697863 6940.070       148.7244 7087.932      214.2746 6802.622       206.5918 725.2009 10.97309 710.4668 10.79906 14.73407       15.39573 
1 1 1 6   4  8  o 687.8107 7.428908 6378.173       137.5316 6291.596      191.3144 6470.766       197.8484 682.9946 10.40272 692.6268 10.60840 -9.632202      14.85782 
1 1 1 6   4  9  o 475.1704 5.342344 3045.000       68.33617 3035.808      95.48738 3054.651       97.83942 474.4442 7.474419 475.8965 7.635157 -1.452271      10.68469 
1 1 1 6   4  10 o 248.3010 3.813502 825.0757       25.21189 792.3163      32.98494 871.1072       39.09988 242.4386 5.052781 254.1634 5.713196 -11.72475      7.627005 
1 1 1 6   4  11 o 73.39175 8.280149 76.78180       15.13177 83.62440      19.21000 65.59498       24.56235 78.60285 9.076235 68.18066 13.85155 10.42220       16.56030 
1 1 1 6   4  12 o 258.1438 4.054092 897.8831       27.97325 888.6075      37.27638 909.8401       42.32267 256.6532 5.393910 259.6344 6.053792 -2.981262      8.108185 
1 1 1 6   4  13 o 82.66479 8.021524 93.42132       17.24333 95.93633      21.89306 89.31198       27.98486 84.21664 9.654397 81.11295 12.81296 3.103699       16.04305 
1 1 1 6   4  14 o 137.3053 5.757820 260.2184       20.75379 288.4804      27.47840 222.6871       31.66552 146.2294 6.978682 128.3812 9.160130 17.84814       11.51564 
1 1 1 6   4  15 o 224.1545 4.782956 675.2175       28.61008 660.8141      37.81984 694.4880       43.74545 221.3908 6.344197 226.9182 7.159457 -5.527435      9.565911 
1 1 1 6   4  16 o 395.6451 5.267524 2109.660       55.87891 2089.717      75.45483 2133.881       83.15450 393.6111 7.119284 397.6792 7.765501 -4.068146      10.53505 
1 1 1 6   4  17 o 276.9101 7.969363 1036.460       59.42180 0.000000      0.000000 1036.460       59.42180 ?        ?        276.9101 7.969363 ?              ?        
1 1 1 6   4  18 o 263.0007 5.449179 924.9395       37.88186 881.8430      48.61831 991.5324       60.43552 255.3970 7.069694 270.6043 8.294194 -15.20728      10.89836 
1 1 1 6   4  19 o 328.4870 6.238160 1469.554       54.80507 1516.985      74.07431 1412.188       81.46375 334.5327 8.223290 322.4413 9.382752 12.09134       12.47632 
1 1 1 6   4  20 o 209.6839 8.289888 623.4683       46.68878 603.4443      63.45138 647.1107       68.94615 206.3038 11.42222 213.0640 12.01757 -6.760132      16.57978 
1 1 1 6   4  21 o 84.82837 19.34831 130.6736       51.19625 103.2348      71.83035 159.0043       72.98840 76.20876 27.42771 93.44797 27.29741 -17.23920      38.69661 
1 1 1 6   4  22 o 89.13266 16.89674 130.8661       42.46331 167.2359      60.66438 95.92830       59.45816 101.9196 22.68859 76.34571 25.04450 25.57390       33.79348 
1 1 1 6   4  23 o 49.73083 15.39460 6.191013       39.61961 -16.43297     53.27435 34.18850       59.26429 43.58381 19.99274 55.87786 23.41506 -12.29404      30.78920 
1 1 1 6   4  24 o 56.71288 16.03346 50.22654       39.54831 82.28102      53.74245 12.36517       58.40787 65.35098 23.69464 48.07477 21.60675 17.27621       32.06693 
1 1 1 6   4  25 o 77.98956 15.59118 145.9299       38.35944 171.0241      46.69300 93.83456       67.27678 96.32044 18.67732 59.65867 24.96993 36.66177       31.18236 
1 1 1 6   6  0  o 1598.751 20.82317 34474.15       846.1656 34319.15      1036.659 34783.57       1464.694 1594.428 24.14612 1603.074 33.93203 -8.645630      41.64634 
1 1 1 6   6  1  o 1037.771 13.43471 14588.54       356.7135 14734.14      441.6379 14315.28       605.0237 1045.530 15.68724 1030.011 21.81459 15.51917       26.86942 
1 1 1 6   6  2  o 725.2074 10.90289 7084.993       212.9056 7084.993      212.9056 0.000000       0.000000 725.2074 10.90289 ?        ?        ?              ?        
1 1 1 6   6  3  o 1301.763 13.76493 22850.37       482.3622 23188.13      691.8885 22530.95       672.8367 1311.102 19.59820 1292.423 19.33399 18.67920       27.52985 
1 1 1 6   6  4  o 721.7272 10.88312 7017.303       211.4998 7017.303      211.4998 0.000000       0.000000 721.7272 10.88312 ?        ?        ?              ?        
1 1 1 6   6  5  o 1556.660 16.47160 32730.91       690.4192 32754.95      976.3974 32706.87       976.4030 1557.233 23.28571 1556.086 23.30301 1.147339       32.94321 
1 1 1 6   6  6  o 2327.301 24.75388 73488.68       1548.749 76164.77      2269.023 71154.38       2119.170 2366.497 35.60816 2288.105 34.39589 78.39209       49.50776 
1 1 1 6   6  7  o 1010.059 10.76374 13778.06       292.7396 13871.61      415.8971 13686.21       412.1213 1013.453 15.24048 1006.665 15.20395 6.787964       21.52748 
1 1 1 6   6  8  o 925.9867 9.943274 11608.22       247.8874 11532.23      347.1645 11687.27       354.0690 922.9293 13.96958 929.0441 14.15364 -6.114807      19.88655 
1 1 1 6   6  9  o 757.7271 8.234118 7766.526       167.8270 7618.955      231.2637 7930.703       243.9288 750.2025 11.44842 765.2518 11.83792 -15.04932      16.46824 
1 1 1 6   6  10 o 69.44045 8.954870 80.74188       15.06230 111.2738      19.04540 29.75447       24.61186 90.76346 7.792838 48.11745 16.12546 42.64601       17.90974 
1 1 1 6   6  11 o 387.1093 4.852685 2021.458       50.30932 2005.619      67.59811 2041.123       75.32343 385.4663 6.512756 388.7524 7.195709 -3.286133      9.705371 
1 1 1 6   6  12 o 43.44144 11.04168 22.09262       16.13057 25.90385      19.69042 14.31593       28.12680 44.35016 14.40573 42.53272 16.73767 1.817440       22.08336 
1 1 1 6   6  13 o 301.7590 4.649515 1231.962       37.30258 1252.733      49.23904 1203.982       57.14762 304.8004 5.999440 298.7177 7.104834 6.082733       9.299029 
1 1 1 6   6  14 o 474.3712 5.803216 3041.068       73.97167 3092.688      101.8889 2983.535       107.5652 478.6789 7.904955 470.0636 8.498292 8.615265       11.60643 
1 1 1 6   6  15 o 90.57545 9.646915 115.6740       21.31726 121.3213      26.22773 104.6822       36.59131 94.75542 10.27953 86.39549 16.32738 8.359932       19.29383 
1 1 1 6   6  16 o 420.8695 5.624315 2364.674       62.42942 2267.677      79.82790 2517.413       100.1731 409.9725 7.231304 431.7664 8.616259 -21.79395      11.24863 
1 1 1 6   6  17 o 196.6286 5.956565 525.9196       30.76086 536.2830      39.59109 510.1344       48.86206 199.1994 7.381185 194.0579 9.350978 5.141479       11.91313 
1 1 1 6   6  18 o 195.0821 6.778293 513.9739       34.17167 508.0373      42.59413 524.6957       57.24171 193.7134 8.165952 196.4509 10.82119 -2.737534      13.55659 
1 1 1 6   6  19 o 343.6056 10.94086 1609.626       101.2267 0.000000      0.000000 1609.626       101.2267 ?        ?        343.6056 10.94086 ?              ?        
1 1 1 6   6  20 o 175.5820 11.81669 419.3426       55.45158 388.5789      73.19286 460.7893       84.95611 168.2236 16.15841 182.9404 17.24652 -14.71687      23.63338 
1 1 1 6   6  21 o 82.48015 18.18954 103.6814       47.96099 153.8998      67.66624 52.98276       67.98909 98.42777 25.37068 66.53252 26.07234 31.89525       36.37909 
1 1 1 6   6  22 o 88.04877 17.94094 127.7740       46.80791 84.47277      65.47375 173.0411       66.94348 73.21306 26.20325 102.8845 24.51324 -29.67143      35.88188 
1 1 1 6   6  23 o 84.41591 16.44049 132.2521       41.38512 168.4020      53.87323 80.20515       64.64236 101.0838 20.49426 67.74801 25.71274 33.33581       32.88099 
1 1 1 6   6  24 o 51.17416 15.31829 35.07069       38.69306 62.19058      50.60072 -3.115512      60.04350 57.58486 22.51277 44.76346 20.77921 12.82140       30.63658 
1 1 1 6   8  0  f 836.5237 12.56911 9435.074       283.1169 9431.213      400.5589 9438.929       400.2169 836.3519 17.78664 836.6954 17.76416 -0.3435669     25.13822 
1 1 1 6   8  1  o 992.2636 12.92888 13341.93       329.8550 13489.76      410.8203 13073.72       553.3650 1000.320 15.25209 984.2071 20.88054 16.11304       25.85775 
1 1 1 6   8  2  o 343.5827 4.471979 1621.650       36.32262 1658.099      42.49068 1522.727       69.99976 350.9164 4.496832 336.2490 7.731293 14.66742       8.943958 
1 1 1 6   8  3  o 869.1100 11.32794 10173.32       249.5179 10153.73      304.9633 10212.99       433.9832 868.0433 13.04737 870.1768 18.52175 -2.133423      22.65588 
1 1 1 6   8  4  o 655.4295 9.938422 5787.494       175.3989 5787.494      175.3989 0.000000       0.000000 655.4295 9.938422 ?        ?        ?              ?        
1 1 1 6   8  5  o 720.3323 9.477336 6982.010       172.6449 6953.245      210.4550 7041.202       301.8928 718.2667 10.88153 722.3978 15.52004 -4.131042      18.95467 
1 1 1 6   8  6  o 656.8625 7.213525 5818.404       127.5698 5935.645      180.6080 5701.673       180.2145 663.4755 10.10948 650.2495 10.29263 13.22607       14.42705 
1 1 1 6   8  7  f 395.0325 4.854122 2088.210       50.88262 2016.399      66.03046 2193.194       79.83750 386.7735 6.340219 403.2916 7.351981 -16.51816      9.708243 
1 1 1 6   8  8  o 209.4351 4.226252 589.7601       22.63363 586.1843      27.89144 596.6556       38.73193 208.5554 4.966680 210.3149 6.839365 -1.759521      8.452504 
1 1 1 6   8  9  o 222.0948 4.382323 663.9099       25.15270 660.0602      31.38852 670.8175       42.04612 221.2589 5.268497 222.9308 7.004425 -1.671951      8.764647 
1 1 1 6   8  10 o 241.5233 4.499756 796.0598       28.27271 822.9385      35.97988 752.6727       45.71244 246.9991 5.409796 236.0475 7.192032 10.95160       8.999513 
1 1 1 6   8  11 o 228.0850 4.647297 699.3803       27.19042 692.7620      33.59976 711.9386       46.28378 226.6207 5.506217 229.5494 7.488060 -2.928726      9.294594 
1 1 1 6   8  12 o 402.6523 5.386452 2164.552       57.07483 2080.198      72.69753 2300.089       92.14996 392.6404 6.876086 412.6642 8.293063 -20.02377      10.77290 
1 1 1 6   8  13 f 201.4319 5.232750 552.9158       27.68657 573.9021      35.82563 521.7955       43.62616 206.2805 6.449890 196.5834 8.241700 9.697128       10.46550 
1 1 1 6   8  14 o 113.9763 7.926013 182.1592       22.89947 197.9548      28.73148 154.6511       37.91573 121.0951 8.811463 106.8575 13.17744 14.23757       15.85203 
1 1 1 6   8  15 f 86.75098 9.954294 96.54562       21.81992 65.16313      27.40708 150.8706       36.05943 67.95198 15.34204 105.5500 12.68754 -37.59798      19.90859 
1 1 1 6   8  16 o 152.0746 7.175438 310.6531       28.31035 303.4809      35.37585 323.4281       47.21262 149.7775 8.771558 154.3716 11.35814 -4.594040      14.35088 
1 1 1 6   8  17 f 207.4719 6.375340 560.1474       33.97863 511.3089      41.43925 660.3605       59.35986 194.3785 7.917358 220.5652 9.994763 -26.18666      12.75068 
1 1 1 6   8  18 o 495.6404 9.092435 3332.979       121.3473 3332.979      121.3473 0.000000       0.000000 495.6404 9.092435 ?        ?        ?              ?        
1 1 1 6   8  19 o 110.6509 14.65648 178.9154       41.83004 184.2565      54.36180 171.1625       65.49482 114.4591 17.63844 106.8426 23.41229 7.616463       29.31296 
1 1 1 6   8  20 o 160.9877 14.27783 359.8064       60.43051 350.9017      77.15305 373.9404       97.20195 159.0340 18.01688 162.9414 22.15441 -3.907364      28.55566 
1 1 1 6   8  21 o 92.59279 18.08433 141.1616       47.36767 103.4383      63.15921 189.6549       71.60981 78.66332 25.81256 106.5223 25.33542 -27.85894      36.16866 
1 1 1 6   8  22 o 98.58811 16.49073 168.9805       43.28205 192.6289      56.61380 135.7160       67.14485 110.2612 19.79599 86.91498 26.37984 23.34627       32.98146 
1 1 1 6   8  23 o 61.31469 15.05480 66.03797       31.83704 40.24607      51.66949 81.82324       40.42207 53.92724 22.16196 68.70214 20.38225 -14.77490      30.10961 
1 1 1 6   8  24 o 46.16376 13.92876 27.31752       29.95474 54.91889      48.57180 10.37671       38.05274 52.71177 21.55447 39.61575 17.64785 13.09602       27.85753 
1 1 1 6   10 0  o 312.3172 4.442038 1312.634       34.84966 1311.058      42.24733 1315.990       61.64977 312.0360 5.028185 312.5985 7.324217 -0.5625000     8.884076 
1 1 1 6   10 1  o 568.6016 7.535137 4375.377       109.6381 4419.318      135.7598 4292.979       185.9071 572.7891 8.802239 564.4139 12.23249 8.375183       15.07027 
1 1 1 6   10 2  o 725.7716 10.99998 7098.007       214.9687 7098.007      214.9687 0.000000       0.000000 725.7716 10.99998 ?        ?        ?              ?        
1 1 1 6   10 3  o 602.3590 9.250131 4892.548       150.0320 4872.927      211.7510 4912.328       212.6063 601.1462 13.08163 603.5717 13.08169 -2.425476      18.50026 
1 1 1 6   10 4  o 515.3517 6.610278 3496.647       76.99478 3429.341      87.24445 3733.670       163.7215 504.5566 6.421619 526.1468 11.55621 -21.59021      13.22056 
1 1 1 6   10 5  o 116.3023 4.312909 185.9937       10.06263 187.9125      11.05155 176.6886       24.33701 118.1253 3.474536 114.4793 7.895082 3.645943       8.625817 
1 1 1 6   10 6  o 837.8125 10.48738 9388.602       200.8450 9277.398      229.1709 9756.875       417.0485 828.7470 10.26961 846.8781 18.28868 -18.13104      20.97476 
1 1 1 6   10 7  o 168.4928 4.920941 383.3897       21.39020 384.0917      26.68557 382.1281       35.77501 168.7649 5.872337 168.2207 7.897995 0.5441742      9.841883 
1 1 1 6   10 8  o 213.3476 4.431357 621.9782       20.75654 627.8078      23.41977 600.6309       44.81657 215.8443 4.029570 210.8509 7.893685 4.993408       8.862714 
1 1 1 6   10 9  o 499.9243 6.607065 3361.569       75.58513 3342.400      86.40881 3424.028       155.9759 497.6142 6.448844 502.2345 11.53367 -4.620331      13.21413 
1 1 1 6   10 10 o 515.3635 7.260243 3631.885       96.15109 3714.012      120.0767 3485.119       160.5187 524.0723 8.509111 506.6547 11.76603 17.41754       14.52049 
1 1 1 6   10 11 o 353.0637 5.818243 1673.107       51.73584 1654.177      62.72006 1713.410       91.51543 350.1540 6.652179 355.9734 9.547582 -5.819397      11.63649 
1 1 1 6   10 12 o 254.1415 5.449296 883.8937       35.69207 916.2192      44.89628 828.3763       58.83728 260.6431 6.397066 247.6400 8.823654 13.00310       10.89859 
1 1 1 6   10 13 o 308.5765 5.683482 1314.749       45.79134 1434.446      59.68321 1143.455       71.39720 326.1474 6.796023 291.0057 9.111636 35.14169       11.36696 
1 1 1 6   10 14 o 547.9860 9.029557 4054.764       133.2353 4054.764      133.2353 0.000000       0.000000 547.9860 9.029557 ?        ?        ?              ?        
1 1 1 6   10 15 o 413.7911 6.603641 2309.556       69.51512 2293.644      85.19765 2341.246       120.2363 412.0168 7.679434 415.5653 10.74516 -3.548431      13.20728 
1 1 1 6   10 16 o 341.0381 6.217809 1546.515       53.81225 1492.075      65.36551 1661.009       94.79379 332.2120 7.307182 349.8643 10.06229 -17.65228      12.43562 
1 1 1 6   10 17 o 222.3793 7.181318 658.8708       40.98720 631.5978      50.33376 712.5501       70.61492 215.9311 8.656868 228.8274 11.46054 -12.89635      14.36264 
1 1 1 6   10 18 o 154.2778 10.74704 316.6328       42.51727 292.8149      51.86177 365.4534       74.25008 146.1815 13.17564 162.3742 16.98230 -16.19275      21.49409 
1 1 1 6   10 19 o 121.0609 18.69128 206.8911       59.09916 159.2317      77.56194 272.8646       91.25552 104.4705 27.27761 137.6513 25.56145 -33.18083      37.38255 
1 1 1 6   10 20 o 116.2673 15.99926 205.8339       48.81236 253.1850      69.63384 160.0875       68.44373 131.8874 19.60802 100.6471 25.28696 31.24030       31.99851 
1 1 1 6   10 21 o 125.8783 15.36601 247.7387       50.23861 282.9868      69.99206 210.2800       72.15350 137.8443 18.85718 113.9123 24.26653 23.93195       30.73203 
1 1 1 6   10 22 o 95.94888 16.76355 167.7904       43.55151 191.3597      56.31569 132.7202       68.69492 108.4167 20.02857 83.48105 26.88722 24.93567       33.52710 
1 1 1 6   10 23 o 123.5471 14.86654 273.0671       44.63193 277.6664      54.97977 264.1789       76.43080 132.4442 15.41653 114.6499 25.42414 17.79428       29.73308 
1 1 1 6   12 0  o 452.9820 4.957629 2763.732       60.45993 2784.974      86.41560 2743.365       84.61921 454.6850 7.058267 451.2790 6.963706 3.406006       9.915258 
1 1 1 6   12 1  o 306.8361 5.042258 1268.005       41.65958 1268.005      41.65958 0.000000       0.000000 306.8361 5.042258 ?        ?        ?              ?        
1 1 1 6   12 2  o 398.0053 4.428690 2134.295       47.46046 2136.426      67.42175 2132.202       66.82074 398.2011 6.288024 397.8096 6.238104 0.3914795      8.857381 
1 1 1 6   12 3  o 351.0298 3.961468 1660.439       37.44118 1662.774      53.30144 1658.164       52.60508 351.2716 5.635241 350.7880 5.569287 0.4835815      7.922935 
1 1 1 6   12 4  o 177.3306 4.169367 423.6098       19.90844 423.6098      19.90844 0.000000       0.000000 177.3306 4.169367 ?        ?        ?              ?        
1 1 1 6   12 5  o 468.0406 10.59385 2964.815       133.5121 0.000000      0.000000 2964.815       133.5121 ?        ?        468.0406 10.59385 ?              ?        
1 1 1 6   12 6  f 157.5514 4.262120 335.7063       14.14491 336.2428      15.71051 333.4100       32.50407 157.9776 3.693272 157.1252 7.682604 0.8523865      8.524240 
1 1 1 6   12 7  o 61.43305 8.418278 58.63467       9.263542 61.06183      9.971850 43.34744       25.02598 67.27574 5.504703 55.59035 15.91125 11.68539       16.83656 
1 1 1 6   12 8  o 233.1540 4.455122 721.6281       24.44957 709.1669      28.25404 758.7787       48.78479 229.3534 4.575010 236.9547 7.646028 -7.601273      8.910244 
1 1 1 6   12 9  o 463.8401 6.630064 2872.771       76.42373 2815.492      91.42031 3005.679       139.2585 456.6491 7.434926 471.0312 10.97966 -14.38202      13.26013 
1 1 1 6   12 10 o 380.7369 5.528714 1969.172       49.56475 1982.447      57.62717 1931.438       97.15975 383.4673 5.581046 378.0066 9.545609 5.460632       11.05743 
1 1 1 6   12 11 o 100.4959 8.540441 163.4696       15.62378 176.9113      17.32393 104.8946       36.16397 114.5542 5.616320 86.43763 16.13113 28.11662       17.08088 
1 1 1 6   12 12 o 127.2090 6.641624 206.4810       17.65223 199.8930      19.40784 238.0325       42.47271 121.7753 5.918809 132.6426 11.89169 -10.86722      13.28325 
1 1 1 6   12 13 o 263.9178 5.059664 905.7884       29.91029 880.1888      33.70010 1000.790       64.92011 255.5778 4.896938 272.2578 8.855551 -16.67993      10.11933 
1 1 1 6   12 14 o 212.9237 5.422153 640.6766       26.49181 669.1624      30.73239 558.2918       52.26439 222.7657 5.123474 203.0816 9.557666 19.68411       10.84431 
1 1 1 6   12 15 o 205.8858 5.721553 591.7711       26.95022 609.3087      31.09337 538.8035       54.03658 212.4958 5.434180 199.2759 10.07047 13.21991       11.44311 
1 1 1 6   12 16 o 248.6908 6.164699 848.1725       33.72907 855.9827      38.09385 819.8298       72.56830 251.8231 5.617924 245.5584 10.97511 6.264740       12.32940 
1 1 1 6   12 17 o 205.9701 8.184744 592.9831       36.12866 602.5019      40.52924 556.1516       79.72361 210.9800 7.134176 200.9602 14.73308 10.01979       16.36949 
1 1 1 6   12 18 f 50.55317 16.04494 -102.6204      40.55901 -150.7560     46.18367 59.67752       84.80305 26.61292 13.44256 74.49342 29.13860 -47.88050      32.08988 
1 1 1 6   12 19 o 72.05711 17.08195 71.57935       34.66120 56.42419      39.74700 119.6928       70.82030 60.97705 20.49208 83.13718 27.33582 -22.16013      34.16391 
1 1 1 6   12 20 o 173.9445 9.174454 452.5771       33.98513 470.8459      38.41227 386.7445       72.91815 185.3015 7.698528 162.5875 16.65578 22.71394       18.34891 
1 1 1 6   12 21 o 54.30930 15.42695 36.67168       30.51514 37.37764      34.42468 34.08245       65.92757 51.34805 18.91081 57.27056 24.37918 -5.922504      30.85390 
1 1 1 6   12 22 o 54.04578 14.98417 46.79525       30.37250 53.31477      34.17670 22.30333       66.24202 56.25404 19.00151 51.83753 23.17420 4.416504       29.96834 
1 1 1 6   12 23 o 61.00913 14.53838 85.63740       32.08155 99.55576      35.97954 31.64171       70.86652 73.28979 18.29019 48.72847 22.60370 24.56133       29.07677 
1 1 1 6   14 0  o 321.4527 3.753915 1392.380       32.48953 1400.493      46.32104 1384.523       45.58213 322.3728 5.336254 320.5326 5.281279 1.840210       7.507830 
1 1 1 6   14 1  o 96.00328 3.166678 124.1892       8.178165 124.2833      11.32252 124.0865       11.82520 96.04300 4.378182 95.96357 4.576344 0.7942963E-01  6.333357 
1 1 1 6   14 2  o 192.8025 2.924938 500.9045       15.18012 484.5249      21.39344 517.5142       21.54322 189.6259 4.189862 195.9792 4.082416 -6.353333      5.849877 
1 1 1 6   14 3  o 106.8384 3.337998 151.5393       9.507492 185.3315      14.37966 125.2934       12.67276 117.2657 4.554011 96.41106 4.881588 20.85466       6.675996 
1 1 1 6   14 4  o 259.1688 3.246449 902.8939       22.57926 934.8443      33.56189 876.4754       30.51843 263.3357 4.733183 255.0019 4.444627 8.333801       6.492898 
1 1 1 6   14 5  o 230.3841 4.587789 715.5894       28.46029 715.5894      28.46029 0.000000       0.000000 230.3841 4.587789 ?        ?        ?              ?        
1 1 1 6   14 6  o 251.1937 3.371537 850.5782       22.74354 853.5569      33.43539 848.0130       31.02782 251.5896 4.935491 250.7979 4.594560 0.7916565      6.743074 
1 1 1 6   14 7  o 438.6088 4.950106 2592.385       58.37851 2675.588      85.33920 2519.203       80.03518 445.1928 7.118968 432.0248 6.880007 13.16806       9.900212 
1 1 1 6   14 8  o 132.2296 5.971652 250.9608       15.62103 258.6406      17.19651 214.7158       37.35858 138.5333 4.610021 125.9259 11.01772 12.60734       11.94330 
1 1 1 6   14 9  o 385.9841 6.831443 2012.855       70.95735 2036.796      102.4096 1990.748       98.40770 388.1691 9.797975 383.7990 9.522299 4.370026       13.66289 
1 1 1 6   14 10 o 497.5880 7.361777 3338.641       95.56324 3313.013      120.7865 3381.531       156.2537 495.2897 9.056822 499.8863 11.60849 -4.596588      14.72355 
1 1 1 6   14 11 o 467.0280 6.671997 2949.964       77.75693 2957.418      93.83081 2933.623       138.9252 468.2395 7.442075 465.8165 11.07600 2.423035       13.34399 
1 1 1 6   14 12 o 178.7717 5.943670 479.7296       22.87619 520.0077      26.20957 350.9057       46.87311 196.4421 4.954981 161.1012 10.80542 35.34082       11.88734 
1 1 1 6   14 13 o 296.1663 5.413848 1175.740       36.68560 1167.283      41.91621 1203.420       75.83775 294.1920 5.291365 298.1406 9.446717 -3.948639      10.82770 
1 1 1 6   14 14 o 69.05048 11.56617 71.59967       17.93574 75.65109      19.89767 54.04110       41.42315 74.67033 9.896251 63.43064 20.90860 11.23969       23.13234 
1 1 1 6   14 15 o 144.6442 7.358424 265.2610       22.75451 253.9917      25.14580 316.2012       53.46221 137.0917 6.811944 152.1967 13.04542 -15.10509      14.71685 
1 1 1 6   14 16 f 112.9317 12.61882 161.9232       26.73984 154.4321      28.81867 208.2987       71.70470 106.5390 10.04574 119.3245 23.15214 -12.78549      25.23764 
1 1 1 6   14 17 o 52.99511 16.99856 -31.65844      52.25905 -31.95194     70.40430 -31.29831      77.98692 51.43795 23.36054 54.55226 24.69998 -3.114311      33.99711 
1 1 1 6   14 18 o 176.5574 10.74533 431.9610       35.04900 420.7920      37.64988 504.5241       95.96533 174.3686 8.018848 178.7462 19.93857 -4.377625      21.49066 
1 1 1 6   14 19 o 115.1235 11.89880 152.5842       28.96079 130.4709      31.48265 274.2597       73.84937 96.19915 12.15393 134.0478 20.45991 -37.84864      23.79760 
1 1 1 6   14 20 o 48.42642 15.04061 11.47713       28.30594 9.379436      30.69572 23.39711       73.17191 39.89194 16.79077 56.96090 24.95896 -17.06896      30.08122 
1 1 1 6   14 21 o 45.94470 13.18050 22.35827       28.42173 45.11351      31.00687 -97.28902      71.09986 52.96824 18.09788 38.92116 19.16687 14.04708       26.36100 
1 1 1 6   14 22 o 47.92228 14.95528 24.75775       30.07190 12.87978      33.36214 76.22310       69.44487 38.87288 16.94770 56.97167 24.64582 -18.09879      29.91055 
1 1 1 6   16 0  o 172.1250 3.085013 399.0114       14.27696 392.9689      19.59772 405.8449       20.84093 170.7426 4.262655 173.5074 4.460828 -2.764832      6.170026 
1 1 1 6   16 1  o 94.56877 3.997517 120.6589       10.17846 120.2681      14.28833 121.0616       14.50310 94.41446 5.620300 94.72308 5.686193 -0.3086166     7.995034 
1 1 1 6   16 2  o 361.6748 4.194358 1758.811       40.71254 1835.937      60.55727 1695.200       54.99609 368.8634 6.097016 354.4861 5.761680 14.37729       8.388716 
1 1 1 6   16 3  o 187.7714 3.197466 475.1754       16.16167 482.2225      23.20306 468.5345       22.52417 189.1211 4.556400 186.4217 4.487134 2.699478       6.394932 
1 1 1 6   16 4  o 223.9966 4.561723 676.3154       27.51400 676.3154      27.51400 0.000000       0.000000 223.9966 4.561723 ?        ?        ?              ?        
1 1 1 6   16 5  o 426.5464 4.820434 2446.555       55.20279 2566.049      81.92326 2347.173       74.71129 436.0280 6.977654 417.0649 6.652719 18.96310       9.640867 
1 1 1 6   16 6  o 183.8150 3.127921 452.1373       15.24613 472.9068      23.96078 438.0077       19.76305 187.3254 4.750299 180.3045 4.070652 7.020859       6.255841 
1 1 1 6   16 7  o 304.4575 5.368086 1249.496       44.00778 0.000000      0.000000 1249.496       44.00778 ?        ?        304.4575 5.368086 ?              ?        
1 1 1 6   16 8  o 422.0547 4.858317 2402.248       55.18552 2412.741      79.37486 2392.430       76.77811 422.9356 6.969881 421.1738 6.770063 1.761780       9.716635 
1 1 1 6   16 9  o 275.7876 3.798105 1024.692       28.16875 1031.274      40.94642 1018.778       38.81244 276.6217 5.497261 274.9536 5.242377 1.668152       7.596209 
1 1 1 6   16 10 o 361.0807 9.520121 1761.102       92.56145 0.000000      0.000000 1761.102       92.56145 ?        ?        361.0807 9.520121 ?              ?        
1 1 1 6   16 11 o 183.7603 5.512333 438.0519       21.74707 426.8171      24.14474 486.3403       50.05658 177.9333 5.039436 189.5872 9.805476 -11.65392      11.02467 
1 1 1 6   16 12 o 243.3567 5.361310 809.4197       29.69829 817.4257      34.00238 783.6652       60.98567 246.1818 5.129441 240.5316 9.416126 5.650223       10.72262 
1 1 1 6   16 13 f 148.3351 7.309216 326.7171       21.09135 341.0888      23.22953 259.2546       50.32899 158.9708 5.426748 137.6995 13.57383 21.27132       14.61843 
1 1 1 6   16 14 o 35.94217 12.01286 -37.73938      20.03519 -44.33089     21.70199 0.2938665      52.13017 21.75079 10.68725 50.13356 21.51784 -28.38277      24.02571 
1 1 1 6   16 15 o 218.5036 9.386503 647.2504       54.92542 726.5758      83.03791 585.5489       73.23495 230.2459 13.39372 206.7612 13.15424 23.48468       18.77301 
1 1 1 6   16 16 o 134.8289 17.67896 261.9318       61.64153 363.7945      89.21488 168.8835       85.26759 162.2861 20.41609 107.3718 28.86807 54.91431       35.35792 
1 1 1 6   16 17 o 129.3862 11.29589 202.7900       27.51997 189.5497      29.39164 296.9280       78.37135 117.4191 9.296115 141.3533 20.59055 -23.93416      22.59178 
1 1 1 6   16 18 o 220.8324 7.971570 717.2792       39.14365 748.9644      44.93079 617.4977       79.73358 234.0061 7.130723 207.6588 14.25961 26.34731       15.94314 
1 1 1 6   16 19 o 50.81243 13.66659 35.56340       26.48278 49.69588      29.14942 -31.24875      63.37943 56.56251 17.42220 45.06235 21.06111 11.50016       27.33319 
1 1 1 6   16 20 o 33.52814 11.44898 -30.04181      25.90403 -16.78942     28.45371 -94.20445      62.60843 30.77404 14.29175 36.28225 17.89030 -5.508205      22.89797 
1 1 1 6   16 21 o 66.85439 15.31960 85.57421       27.77897 79.20322      30.93302 112.1229       63.14527 66.78929 17.12045 66.91947 25.40965 -0.1301804     30.63919 
1 1 1 6   18 0  o 572.6033 6.278487 4430.027       96.77016 4355.215      134.7159 4509.784       139.0966 567.6279 8.813971 577.5787 8.943797 -9.950867      12.55697 
1 1 1 6   18 1  o 82.96247 5.421111 93.90902       11.90112 98.96581      15.70684 87.09226       18.23647 85.63779 6.811456 80.28715 8.435512 5.350647       10.84222 
1 1 1 6   18 2  o 445.9625 5.026216 2683.054       60.34805 2648.395      84.49242 2719.149       86.22397 443.0266 7.082793 448.8983 7.133402 -5.871674      10.05243 
1 1 1 6   18 3  o 650.5865 7.079872 5722.437       124.0239 5686.992      174.7422 5758.417       176.0579 648.5582 10.00611 652.6148 10.01879 -4.056580      14.15974 
1 1 1 6   18 4  o 637.0540 6.951621 5485.452       119.2321 5431.651      167.0543 5541.316       170.2300 633.8821 9.787364 640.2260 9.874597 -6.343872      13.90324 
1 1 1 6   18 5  o 404.8185 4.707099 2208.053       51.27323 2266.782      74.22558 2154.452       70.91057 409.9547 6.724103 399.6823 6.588896 10.27237       9.414198 
1 1 1 6   18 6  o 207.8682 4.861483 582.2211       27.21073 582.2211      27.21073 0.000000       0.000000 207.8682 4.861483 ?        ?        ?              ?        
1 1 1 6   18 7  o 207.3357 3.272095 578.6703       18.18998 584.7430      27.06491 573.6676       24.56539 208.3202 4.824938 206.3512 4.421130 1.968979       6.544190 
1 1 1 6   18 8  o 531.6476 5.914360 3812.314       84.60120 3881.861      122.5058 3748.907       116.9742 536.2600 8.483942 527.0351 8.242653 9.224915       11.82872 
1 1 1 6   18 9  o 487.3461 5.527675 3205.823       72.47823 3265.041      105.0116 3151.952       100.1599 491.6168 7.932809 483.0754 7.700084 8.541351       11.05535 
1 1 1 6   18 10 o 460.4236 5.320207 2864.537       65.95477 2825.845      92.78606 2904.054       93.76999 457.2785 7.535613 463.5687 7.512187 -6.290192      10.64041 
1 1 1 6   18 11 o 137.5441 5.207245 256.3624       19.03860 252.4915      29.24660 259.2090       25.08033 136.5906 7.951908 138.4976 6.725235 -1.907059      10.41449 
1 1 1 6   18 12 o 323.5130 10.01832 1420.692       87.27105 0.000000      0.000000 1420.692       87.27105 ?        ?        323.5130 10.01832 ?              ?        
1 1 1 6   18 13 o 58.72002 16.64072 26.00653       40.64722 7.085894      59.10194 42.98822       55.99179 54.52401 23.14260 62.91605 23.91809 -8.392040      33.28145 
1 1 1 6   18 14 o 350.6719 8.628812 1772.573       81.46682 1736.453      114.8507 1809.150       115.5757 346.9004 12.29547 354.4433 12.10979 -7.542938      17.25762 
1 1 1 6   18 15 o 57.14375 17.96692 -21.89328      55.53145 -28.23186     77.65407 -15.25926      79.44315 55.70940 24.98477 58.57811 25.82640 -2.868713      35.93385 
1 1 1 6   18 16 o 137.0071 10.70738 261.5058       28.93504 258.7548      31.57713 275.9123       72.26061 137.3723 8.536700 136.6420 19.63967 0.7303619      21.41476 
1 1 1 6   18 17 o 46.29329 14.29182 -5.484958      26.39809 -15.45045     29.19719 39.14096       61.78531 32.60949 14.89976 59.97708 24.39306 -27.36758      28.58363 
1 1 1 6   18 18 o 76.58315 14.80524 89.14863       26.10823 84.02677      28.76950 113.0542       62.15384 74.34234 14.89095 78.82396 25.59375 -4.481621      29.61048 
1 1 1 6   18 19 o 46.79413 13.92839 20.60659       24.28146 15.49784      26.94497 42.68238       56.01166 39.24605 16.05178 54.34221 22.76709 -15.09616      27.85678 
1 1 1 6   18 20 o 46.62635 13.53484 36.00563       25.16407 39.76128      27.77109 18.77271       59.48811 47.57897 17.06156 45.67373 21.01596 1.905235       27.06968 
1 1 1 6   20 0  o 610.2925 6.688335 5026.126       109.8222 4904.840      151.6772 5159.776       159.2215 602.5859 9.347985 617.9991 9.568202 -15.41321      13.37667 
1 1 1 6   20 1  o 96.54648 5.379198 125.7582       13.89231 125.7742      18.61214 125.7382       20.87545 96.56488 7.158034 96.52808 8.031540 0.3680420E-01  10.75840 
1 1 1 6   20 2  o 447.6283 5.107666 2701.877       61.55466 2665.730      86.16119 2739.557       87.96985 444.5741 7.197541 450.6825 7.249028 -6.108398      10.21533 
1 1 1 6   20 3  o 228.4920 3.563845 703.5160       21.92665 701.7250      31.00872 705.3073       31.00920 228.2009 5.046417 228.7831 5.033652 -0.5822144     7.127691 
1 1 1 6   20 4  o 188.1178 5.210618 476.9044       26.39384 476.9044      26.39384 0.000000       0.000000 188.1178 5.210618 ?        ?        ?              ?        
1 1 1 6   20 5  f 172.7373 4.012795 402.7546       18.63567 415.7197      25.92280 388.8878       26.80919 175.6250 5.481659 169.8495 5.861869 5.775558       8.025590 
1 1 1 6   20 6  f 173.6030 3.883156 406.3503       18.15123 411.5237      25.71296 401.2116       25.62668 174.7056 5.465903 172.5004 5.517200 2.205154       7.766312 
1 1 1 6   20 7  o 145.6833 3.746113 285.8574       14.60060 289.5932      21.99417 282.9140       19.52278 146.5195 5.574795 144.8472 5.005507 1.672272       7.492225 
1 1 1 6   20 8  o 47.40255 9.225248 31.52427       11.99706 31.34314      18.94029 31.64564       15.50384 47.47901 13.91592 47.32610 12.11478 0.1529160      18.45050 
1 1 1 6   20 9  o 127.2339 4.577131 214.7457       15.35209 237.7053      24.83344 200.5434       19.53145 132.6035 6.955024 121.8644 5.952155 10.73907       9.154262 
1 1 1 6   20 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   20 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   20 12 f 41.90424 12.16769 2.816694       24.45738 -33.25387     36.89779 31.08414       32.66384 33.87502 15.90779 49.93346 18.41612 -16.05844      24.33539 
1 1 1 6   20 13 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   20 14 o 191.9425 7.807631 430.7451       31.22848 391.1693      33.97635 646.1498       79.26653 169.3820 7.449480 214.5030 13.72376 -45.12093      15.61526 
1 1 1 6   20 15 o 67.75685 15.22619 49.09393       24.84024 35.16784      27.07068 123.3088       62.49279 49.84350 16.91076 85.67020 25.32536 -35.82670      30.45238 
1 1 1 6   20 16 o 56.75220 14.85578 45.23157       26.30904 46.10100      29.22633 41.51712       60.40932 54.98186 17.51974 58.52253 23.99658 -3.540668      29.71157 
1 1 1 6   20 17 o 112.3881 11.86752 178.0391       27.92437 166.1672      31.00774 228.9852       64.23403 107.9697 10.66559 116.8066 21.20370 -8.836937      23.73503 
1 1 1 6   20 18 o 38.53165 12.76018 -8.983378      26.08711 -10.62802     28.98660 -1.974364      59.83988 31.98042 14.69850 45.08288 20.86248 -13.10247      25.52036 
1 1 1 6   20 19 o 63.14848 14.46861 87.10443       28.61484 92.17891      32.16878 67.87011       62.62928 71.83957 16.91057 54.45738 23.48181 17.38219       28.93722 
1 1 1 6   22 0  o 234.3680 3.965945 741.5225       24.99072 768.6364      34.84333 712.7982       35.86315 238.7963 5.418869 229.9397 5.792300 8.856628       7.931890 
1 1 1 6   22 1  o 330.8927 4.292475 1476.504       38.24115 1501.523      54.55392 1452.333       53.62046 333.6478 6.072315 328.1376 6.068637 5.510254       8.584949 
1 1 1 6   22 2  o 96.39003 6.002266 125.7355       15.54856 127.1790      21.40493 124.1229       22.62363 96.99064 8.195974 95.78941 8.771249 1.201225       12.00453 
1 1 1 6   22 3  o 238.2970 3.827789 762.5915       24.48882 724.6475      33.11854 808.3640       36.37488 231.7941 5.306221 244.7999 5.518322 -13.00575      7.655577 
1 1 1 6   22 4  o 45.09072 9.471512 21.75821       15.43181 52.01781      21.42967 -10.83508      22.24067 60.60556 13.47996 29.57588 13.30898 31.02968       18.94302 
1 1 1 6   22 5  o 247.7054 4.129294 829.6169       27.48429 852.2088      37.98572 804.7954       39.81617 251.2756 5.614185 244.1353 6.056831 7.140244       8.258588 
1 1 1 6   22 6  o 387.6635 4.783867 2031.272       49.93033 2036.149      70.11403 2026.255       71.12104 388.1482 6.708478 387.1787 6.821866 0.9694214      9.567734 
1 1 1 6   22 7  o 41.95722 10.41443 11.40152       16.47607 41.94704      25.53321 -10.39154      21.56705 54.77904 16.18646 29.13540 13.10878 25.64364       20.82886 
1 1 1 6   22 8  o 117.4910 6.151930 194.9172       18.54792 157.0150      29.32337 220.1953       23.94715 107.4180 10.13803 127.5641 6.971752 -20.14613      12.30386 
1 1 1 6   22 9  o 148.8709 5.478548 300.1654       21.18339 300.2112      34.89894 300.1388       26.65557 148.7622 8.712369 148.9795 6.644741 -0.2172852     10.95710 
1 1 1 6   22 10 o 20.87132 10.54302 -91.19418      28.43398 0.000000      0.000000 -91.19418      28.43398 ?        ?        20.87132 10.54302 ?              ?        
1 1 1 6   22 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   22 12 o 330.1936 6.736788 1482.329       59.89698 0.000000      0.000000 1482.329       59.89698 ?        ?        330.1936 6.736788 ?              ?        
1 1 1 6   22 13 o 284.9571 6.473863 1107.998       49.67369 0.000000      0.000000 1107.998       49.67369 ?        ?        284.9571 6.473863 ?              ?        
1 1 1 6   22 14 o 41.84189 11.84295 15.94849       20.33444 9.920989      28.10964 22.56531       29.45177 39.14597 16.24133 44.53780 17.24069 -5.391834      23.68591 
1 1 1 6   22 15 o 110.4833 12.39901 194.8428       32.74083 205.5296      40.04412 173.2919       56.86541 119.2153 12.47451 101.7513 21.43194 17.46394       24.79801 
1 1 1 6   22 16 o 60.42679 15.80381 61.38365       31.29799 54.25406      36.58669 80.83618       60.43368 56.40861 19.64033 64.44497 24.76487 -8.036358      31.60761 
1 1 1 6   22 17 o 116.2302 12.98520 243.9769       32.49849 251.4650      37.71191 222.3707       64.05894 129.5155 10.81367 102.9449 23.61200 26.57064       25.97041 
1 1 1 6   24 0  o 243.2846 4.245717 800.1373       27.73894 811.5194      38.02251 787.1868       40.55765 245.1659 5.759667 241.4034 6.239446 3.762512       8.491434 
1 1 1 6   24 1  o 121.3638 5.931153 198.8606       19.01251 196.3407      24.53191 202.6507       30.08559 120.4711 7.562494 122.2565 9.139091 -1.785431      11.86231 
1 1 1 6   24 2  o 147.9946 5.113131 299.6191       20.06178 320.5804      26.74393 272.6455       30.33800 154.0480 6.447417 141.9412 7.937709 12.10686       10.22626 
1 1 1 6   24 3  o 498.2020 5.787283 3359.639       77.60808 3293.122      107.9952 3430.673       111.6025 493.1239 8.133265 503.2801 8.235326 -10.15622      11.57457 
1 1 1 6   24 4  o 325.0519 4.670556 1416.739       40.59506 1331.647      53.73801 1529.841       61.95500 313.8353 6.359110 336.2685 6.842373 -22.43320      9.341111 
1 1 1 6   24 5  o 110.8506 8.119404 178.3465       22.63926 211.5032      29.24676 128.7778       35.75990 124.8456 8.700036 96.85555 13.71161 27.99007       16.23881 
1 1 1 6   24 6  o 34.13952 11.14789 -25.75611      23.50466 -31.48837     30.57880 -17.47869      36.74560 30.65493 14.42308 37.62411 17.00225 -6.969185      22.29578 
1 1 1 6   24 7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   24 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   24 9  o 213.8984 7.814545 630.7069       45.00851 630.7069      45.00851 0.000000       0.000000 213.8984 7.814545 ?        ?        ?              ?        
1 1 1 6   24 10 o 183.5717 5.377269 463.1522       26.06412 452.4615      40.81182 470.5159       33.87130 181.4572 8.352727 185.6863 6.774366 -4.229050      10.75454 
1 1 1 6   24 11 o 37.68606 11.70845 -7.958695      22.18730 12.77911      37.24043 -19.37053      27.62556 44.73828 18.63868 30.63384 14.17572 14.10443       23.41690 
1 1 1 6   24 12 o 43.90591 12.35342 17.12160       23.52432 -11.26666     37.49597 35.54844       30.20930 37.82053 17.12532 49.99130 17.80873 -12.17078      24.70683 
1 1 1 6   24 13 o 106.4491 9.335176 154.8406       25.48491 203.1415      45.19569 132.3233       30.85873 117.0680 14.33756 95.83009 11.95894 21.23794       18.67035 
1 1 1 6   24 14 o 126.9200 8.769702 237.2470       27.72363 241.9734      49.42132 235.0768       33.48913 125.5838 14.61495 128.2561 9.697111 -2.672325      17.53940 
1 1 1 6   24 15 o 117.2631 9.204910 213.9343       28.71014 218.0624      44.12350 210.9034       37.80860 116.9722 14.00889 117.5539 11.94456 -0.5817032     18.40982 
1 1 1 6   26 0  o 35.48569 11.47423 -16.29821      23.94963 -10.90320     30.08584 -25.63099      39.57048 34.34303 15.46438 36.62836 16.95537 -2.285336      22.94845 
1 1 1 6   26 1  o 184.3045 5.735793 474.7565       27.81502 494.5980      36.19872 446.1526       43.46284 189.6470 7.088654 178.9619 9.019327 10.68510       11.47159 
1 1 1 6   26 2  o 69.90409 17.60500 70.28712       33.11888 70.28712      33.11888 0.000000       0.000000 69.90409 17.60500 ?        ?        ?              ?        
1 1 1 6   26 3  f 185.1527 8.444949 463.5046       42.10276 463.5046      42.10276 0.000000       0.000000 185.1527 8.444949 ?        ?        ?              ?        
1 1 1 6   26 4  o 172.8339 7.236834 422.0756       32.21415 480.5706      41.92676 337.7773       50.33163 188.3218 8.268131 157.3459 11.87961 30.97583       14.47367 
1 1 1 6   26 5  o 186.1623 7.679504 479.1231       38.49534 479.1231      38.49534 0.000000       0.000000 186.1623 7.679504 ?        ?        ?              ?        
1 1 1 6   26 6  o 80.43610 11.56313 96.55144       24.18116 109.4088      31.83712 79.02168       37.17460 88.40683 13.37410 72.46537 18.86682 15.94146       23.12625 
1 1 1 6   26 7  o 41.60667 11.95039 1.417053       23.00238 37.03391      34.38951 -27.41906      30.94329 52.19944 18.94987 31.01390 14.56534 21.18554       23.90077 
1 1 1 6   26 8  o 127.1458 7.201618 222.5615       24.55641 247.4736      36.70606 202.3786       33.03875 133.5256 10.20916 120.7661 10.16004 12.75951       14.40324 
1 1 1 6   26 9  o 57.05074 12.29520 50.82589       20.73448 41.63688      32.88408 56.89015       26.71408 53.25243 18.61557 60.84905 16.06698 -7.596622      24.59039 
1 1 1 6   26 10 o 161.0548 5.759022 362.7482       24.76010 319.7112      35.75554 402.4003       34.32065 151.4212 8.769469 170.6884 7.467378 -19.26723      11.51804 
1 1 1 6   26 11 o 135.9032 6.536398 266.9708       23.19819 201.7969      33.56922 326.5453       32.09481 118.7169 10.50136 153.0894 7.785855 -34.37250      13.07280 
1 1 1 6   26 12 o 56.14281 11.90478 44.61301       20.94606 91.27068      34.44852 17.24473       26.38352 73.11515 17.68963 39.17046 15.93650 33.94469       23.80956 
1 1 1 6   26 13 o 70.45055 11.48060 95.12971       23.05276 50.32449      36.67342 124.3989       29.64099 51.33406 19.39500 89.56702 12.29026 -38.23296      22.96120 
1 1 1 6   28 0  o 52.52518 13.25028 38.58561       23.60969 45.72646      28.74940 23.79456       41.37648 55.42989 17.34019 49.62046 20.03990 5.809429       26.50056 
1 1 1 6   28 1  o 50.00362 13.03914 33.00064       23.39240 41.77908      28.64202 15.41545       40.53860 53.33647 17.37682 46.67078 19.44539 6.665695       26.07829 
1 1 1 6   28 2  o 265.2678 4.927127 960.3754       34.79022 951.8676      45.78335 972.0009       53.51898 264.1738 6.436274 266.3619 7.461950 -2.188110      9.854254 
1 1 1 6   28 3  o 102.1266 9.563759 147.1614       25.23507 144.8751      31.48321 151.2698       42.20333 101.7565 11.49035 102.4967 15.29163 -0.7401123     19.12752 
1 1 1 6   28 4  o 50.92316 11.41734 31.03192       24.29335 70.71472      29.22857 -57.63022      43.68935 68.36196 16.13760 33.48437 16.15552 34.87759       22.83469 
1 1 1 6   28 5  o 208.5865 5.635355 597.1797       30.67682 584.9084      38.71365 617.8873       50.29005 206.3595 6.967169 210.8136 8.859313 -4.454117      11.27071 
1 1 1 6   28 6  o 44.60959 12.60540 20.26330       24.09892 35.38567      29.13374 -12.50494      42.88573 49.37484 17.49952 39.84434 18.14804 9.530499       25.21080 
1 1 1 6   28 7  o 65.22774 13.29496 75.74950       25.66001 89.57506      30.48096 42.11515       47.54218 75.97792 15.42577 54.47755 21.65800 21.50037       26.58991 
1 1 1 6   28 8  o 139.0914 7.499290 273.8725       27.70078 250.3444      35.78848 309.0322       43.74943 132.2401 10.05071 145.9426 11.13287 -13.70245      14.99858 
1 1 1 6   28 9  o 145.9800 6.355311 305.4604       24.85927 271.9735      35.08178 339.2334       35.23134 137.4436 9.479245 154.5164 8.467811 -17.07281      12.71062 
1 1 1 6   28 10 o 156.2141 6.206621 355.0493       25.97583 323.2028      37.21302 385.3116       36.27564 148.6801 9.295202 163.7482 8.227260 -15.06813      12.41324 
1 1 1 6   30 0  o 50.87474 13.20325 38.60722       23.53843 42.43636      29.57978 31.99604       38.86727 52.22009 17.67730 49.52940 19.61675 2.690697       26.40651 
1 1 1 6   30 1  o 75.98418 12.20506 92.92140       23.91108 92.29664      30.45550 93.92535       38.60678 77.03227 15.22257 74.93607 19.08213 2.096199       24.41013 
1 1 1 6   30 2  o 39.29640 12.03727 7.138859       23.44923 13.74939      29.97696 -3.283757      37.64072 40.03205 16.70400 38.56075 17.33667 1.471302       24.07455 
1 1 1 6   30 3  o 44.94190 12.67542 23.35467       22.31958 14.08418      27.72377 40.43113       37.62703 38.92446 16.13780 50.95935 19.55087 -12.03489      25.35084 
1 1 1 6   30 4  o 149.2234 6.874725 323.7990       26.74476 334.6030      34.27332 306.9764       42.76709 153.7842 8.276774 144.6627 10.97918 9.121536       13.74945 
1 1 1 6   30 5  o 60.93916 13.53925 70.20125       24.89134 74.91410      31.47691 62.33529       40.66552 65.03725 17.56232 56.84108 20.61094 8.196171       27.07851 
1 1 1 6   30 6  o 55.57357 13.61666 61.31870       25.11236 66.21504      30.97642 51.93069       42.89253 59.62502 17.87763 51.52212 20.54371 8.102901       27.23332 
1 1 1 7   1  0  o 516.0551 5.517864 3584.663       76.63371 3516.449      106.3075 3658.458       110.5711 510.9499 7.726843 521.1603 7.879288 -10.21042      11.03573 
1 1 1 7   1  1  o 490.7112 5.273536 3239.654       69.62479 3164.027      96.17080 3322.952       100.9302 484.7012 7.368613 496.7212 7.546143 -12.01996      10.54707 
1 1 1 7   1  2  o 1185.370 12.52162 18944.40       399.6657 18963.39      565.7970 18925.50       564.6301 1185.961 17.71767 1184.778 17.69880 1.183594       25.04323 
1 1 1 7   1  3  o 1744.537 18.42794 41117.25       865.6109 41342.27      1230.867 40897.07       1217.559 1749.242 26.13231 1739.831 25.98959 9.410400       36.85589 
1 1 1 7   1  4  o 1128.257 11.93018 17162.84       362.4262 17259.19      515.4322 17068.61       509.7119 1131.384 16.91913 1125.130 16.82437 6.254395       23.86035 
1 1 1 7   1  5  o 518.8702 5.628116 3625.085       78.62016 3586.530      109.9919 3665.361       112.4192 516.0509 7.915619 521.6896 8.002857 -5.638672      11.25623 
1 1 1 7   1  6  o 1479.361 15.65197 29554.46       623.3885 29252.05      872.3801 29870.00       891.1280 1471.656 22.01487 1487.067 22.25493 -15.41101      31.30393 
1 1 1 7   1  7  o 1359.414 14.41242 24985.03       527.5457 25101.59      749.4337 24870.55       742.7361 1362.544 20.42675 1356.284 20.33763 6.259888       28.82484 
1 1 1 7   1  8  o 383.4565 4.418088 1981.045       45.61374 1967.324      64.00346 1995.207       65.02378 382.1087 6.220612 384.8043 6.275509 -2.695557      8.836177 
1 1 1 7   1  9  o 196.6973 3.347651 521.3686       17.72760 526.3302      24.92097 516.2859       25.22299 197.6464 4.682659 195.7482 4.785369 1.898239       6.695301 
1 1 1 7   1  10 o 277.5066 3.755274 1037.202       28.02876 1016.680      38.57754 1060.147       40.79244 274.6092 5.217183 280.4040 5.402715 -5.794830      7.510548 
1 1 1 7   1  11 o 276.8859 3.848058 1034.075       28.68316 1029.565      40.09920 1038.800       41.04557 276.2729 5.390314 277.4990 5.493150 -1.226166      7.696115 
1 1 1 7   1  12 o 203.5527 3.888851 558.6786       21.31152 572.2515      30.39656 545.5560       29.88795 205.9850 5.480314 201.1205 5.518950 4.864471       7.777702 
1 1 1 7   1  13 o 131.9458 7.197662 234.9286       25.57233 0.000000      0.000000 234.9286       25.57233 ?        ?        131.9458 7.197662 ?              ?        
1 1 1 7   1  14 o 358.9692 4.704773 1730.771       45.33699 1650.378      61.28257 1827.967       67.38310 349.8138 6.506038 368.1246 6.797869 -18.31076      9.409546 
1 1 1 7   1  15 f 142.4864 5.658239 273.5280       21.63667 269.1194      29.31829 278.8008       32.06340 141.2387 7.709064 143.7341 8.284505 -2.495392      11.31648 
1 1 1 7   1  16 o 207.0298 4.883362 576.0701       27.16468 547.1178      36.96589 610.0597       40.05285 201.4003 6.816441 212.6593 6.994644 -11.25905      9.766725 
1 1 1 7   1  17 o 248.6389 4.973343 835.3536       33.28957 855.5050      47.09032 815.2222       47.06680 251.6471 6.949544 245.6307 7.116207 6.016388       9.946686 
1 1 1 7   1  18 o 386.2527 5.547165 2019.736       57.66782 2076.260      81.23925 1962.326       81.87368 391.7377 7.701710 380.7676 7.985477 10.97003       11.09433 
1 1 1 7   1  19 o 82.84596 14.89347 100.4466       34.09922 70.56654      48.25490 130.2493       48.19233 70.79366 22.50696 94.89828 19.51151 -24.10462      29.78695 
1 1 1 7   1  20 o 173.3663 10.42843 410.5565       48.64676 400.2421      69.52621 420.4491       68.09009 171.1768 15.08413 175.5558 14.40408 -4.378998      20.85686 
1 1 1 7   1  21 o 69.63541 16.02730 61.27789       39.43568 3.828001      54.99917 122.0674       56.57516 50.69030 21.93084 88.58051 23.37810 -37.89022      32.05460 
1 1 1 7   1  22 o 54.06422 15.61424 15.83822       39.63477 -35.93872     58.03653 61.09285       54.25812 43.52028 20.27762 64.60817 23.74944 -21.08789      31.22848 
1 1 1 7   1  23 f 47.87361 14.72330 5.457712       35.96156 41.80125      55.13202 -21.45664      47.44410 55.94430 22.93020 39.80293 18.47452 16.14137       29.44660 
1 1 1 7   1  24 o 42.06987 13.64147 -0.5894511     35.04289 14.63492      51.30784 -13.90075      47.97603 45.11558 20.26596 39.02415 18.26610 6.091427       27.28295 
1 1 1 7   3  0  o 945.5769 10.00137 12052.50       254.6404 12111.61      361.7677 11994.47       358.4866 947.8717 14.17414 943.2820 14.11393 4.589661       20.00274 
1 1 1 7   3  1  o 337.1178 3.747042 1528.942       33.99265 1567.413      49.13575 1493.628       47.07610 341.1811 5.348467 333.0546 5.249303 8.126465       7.494083 
1 1 1 7   3  2  o 921.9587 9.759501 11453.71       242.2719 11389.00      340.6855 11519.92       344.5963 919.3267 13.76260 924.5907 13.84133 -5.263977      19.51900 
1 1 1 7   3  3  o 237.5888 2.938807 758.7941       18.78296 788.6110      27.30440 732.0089       25.87910 242.0120 4.189983 233.1655 4.121939 8.846512       5.877614 
1 1 1 7   3  4  f 942.0089 9.988033 11962.10       253.3485 11963.72      358.3572 11960.47       358.2206 942.0727 14.12695 941.9450 14.12348 0.1276855      19.97607 
1 1 1 7   3  5  o 1648.722 17.42760 36708.93       773.5755 36335.64      1082.731 37098.18       1105.630 1640.189 24.51563 1657.254 24.77636 -17.06470      34.85519 
1 1 1 7   3  6  o 433.5350 4.812834 2530.692       56.17330 2565.234      80.37814 2497.715       78.53596 436.4252 6.839821 430.6449 6.772763 5.780365       9.625668 
1 1 1 7   3  7  o 1091.314 11.59627 16079.94       340.6307 15823.40      473.8636 16354.23       489.9903 1082.343 16.25942 1100.285 16.53860 -17.94275      23.19254 
1 1 1 7   3  8  o 538.7467 5.910054 3914.867       85.73061 3899.412      120.5196 3930.697       121.9764 537.6745 8.324433 539.8189 8.391589 -2.144409      11.82011 
1 1 1 7   3  9  o 353.5277 4.226910 1685.116       40.23552 1707.141      57.00645 1663.252       56.79736 355.8321 5.949707 351.2234 6.005668 4.608673       8.453819 
1 1 1 7   3  10 o 84.13653 6.031575 95.43950       13.54282 93.93373      17.92681 97.44125       20.66958 83.38573 7.984137 84.88733 9.042851 -1.501602      12.06315 
1 1 1 7   3  11 o 336.4517 4.285482 1527.637       38.78697 1531.943      53.72638 1522.950       56.05373 336.9639 5.921351 335.9395 6.196695 1.024414       8.570965 
1 1 1 7   3  12 o 389.4375 4.759860 2047.300       49.89867 2079.808      70.10796 2013.926       71.03596 392.5849 6.632089 386.2900 6.829381 6.294861       9.519719 
1 1 1 7   3  13 o 311.9030 4.334109 1313.274       36.35957 1355.689      50.80567 1268.742       52.05759 317.0854 5.950487 306.7206 6.303151 10.36478       8.668218 
1 1 1 7   3  14 o 224.7924 4.461740 684.0270       26.81674 706.5551      36.20408 656.6423       39.91628 228.9322 5.873099 220.6526 6.718274 8.279602       8.923480 
1 1 1 7   3  15 o 223.4681 4.647857 674.7414       27.77669 685.9882      37.34391 660.8135       41.55739 225.5778 6.148086 221.3584 6.972184 4.219406       9.295714 
1 1 1 7   3  16 o 208.2799 5.002276 585.3290       27.45229 584.7814      35.34717 586.1614       43.57954 208.2092 6.304800 208.3505 7.767919 -0.1412659     10.00455 
1 1 1 7   3  17 o 63.45805 12.76361 57.27327       22.65159 60.09553      29.22951 53.03001       35.84027 64.91280 16.64393 62.00330 19.35505 2.909504       25.52721 
1 1 1 7   3  18 o 151.2357 7.083543 309.3016       28.63837 301.2292      38.05943 319.8380       43.48155 149.0332 9.484095 153.4382 10.52418 -4.405045      14.16709 
1 1 1 7   3  19 o 55.84779 15.21695 28.00962       33.90593 50.28649      44.39703 -3.165388      52.52065 62.29970 21.63853 49.39587 21.40085 12.90383       30.43390 
1 1 1 7   3  20 o 279.7640 11.83874 1062.536       89.18272 1062.536      89.18272 0.000000       0.000000 279.7640 11.83874 ?        ?        ?              ?        
1 1 1 7   3  21 o 66.71585 17.64515 61.50788       42.71026 64.77010      58.60142 57.81162       62.37821 67.44294 24.69828 65.98875 25.20713 1.454185       35.29029 
1 1 1 7   3  22 o 58.64016 16.63978 40.94839       39.81473 38.10595      53.10654 44.59660       60.16476 56.96834 22.81014 60.31199 24.23276 -3.343651      33.27956 
1 1 1 7   3  23 o 40.04845 13.41358 -36.67514      38.46228 -37.21939     52.55028 -36.04721      56.44621 39.21496 18.58732 40.88193 19.34445 -1.666969      26.82715 
1 1 1 7   3  24 o 47.94599 14.57051 28.65380       34.82799 2.691118      48.08930 57.29390       50.50810 41.47046 19.01285 54.42152 22.08418 -12.95106      29.14103 
1 1 1 7   5  0  o 1821.578 23.57004 45062.18       1096.504 45423.71      1354.440 44374.61       1867.874 1833.690 27.43155 1809.465 38.33663 24.22498       47.14008 
1 1 1 7   5  1  o 993.6768 10.51738 13295.94       281.1947 12999.60      388.6608 13621.44       407.3348 982.0827 14.69736 1005.271 15.04822 -23.18823      21.03476 
1 1 1 7   5  2  o 1219.832 12.89931 20062.32       423.6635 20219.43      603.3914 19909.55       594.9982 1224.536 18.29970 1215.128 18.18487 9.407837       25.79861 
1 1 1 7   5  3  o 181.6431 2.650068 444.2840       12.95191 445.0843      17.98051 443.4209       18.67262 181.8135 3.672760 181.4728 3.821292 0.3406982      5.300136 
1 1 1 7   5  4  o 2130.043 22.53597 61381.02       1292.275 60643.63      1805.183 62156.13       1850.774 2116.994 31.66783 2143.092 32.07223 -26.09839      45.07194 
1 1 1 7   5  5  o 721.9769 7.720376 7019.044       150.0082 6898.067      208.1317 7149.821       216.3969 715.5131 10.80282 728.4407 11.03249 -12.92755      15.44075 
1 1 1 7   5  6  o 841.2263 8.969125 9542.605       203.1636 9558.730      287.4389 9526.509       287.1948 841.9370 12.67893 840.5156 12.68958 1.421326       17.93825 
1 1 1 7   5  7  o 1919.812 20.55732 50345.64       1061.641 49095.09      1462.768 51737.57       1543.235 1895.067 28.66603 1944.557 29.47325 -49.48987      41.11464 
1 1 1 7   5  8  o 492.3334 5.501175 3268.954       72.90287 3246.664      101.6067 3292.604       104.6616 490.6146 7.691276 494.0523 7.867400 -3.437744      11.00235 
1 1 1 7   5  9  o 457.1025 5.218279 2813.591       64.07145 2726.716      87.09747 2916.048       94.58656 449.4615 7.196637 464.7434 7.558451 -15.28189      10.43656 
1 1 1 7   5  10 o 179.4025 3.963135 433.4751       18.79379 430.3801      24.31746 438.0657       29.61579 178.6430 5.055320 180.1620 6.104873 -1.519012      7.926269 
1 1 1 7   5  11 f 360.3481 4.565421 1744.016       43.97024 1681.952      58.28782 1825.974       66.98122 352.9979 6.132284 367.6984 6.765159 -14.70050      9.130842 
1 1 1 7   5  12 o 159.6673 4.633702 347.2480       19.28439 357.7262      24.58528 330.4913       31.09028 162.8744 5.605818 156.4603 7.379673 6.414063       9.267404 
1 1 1 7   5  13 o 321.7144 4.542415 1399.313       39.24380 1459.159      54.32607 1334.004       56.75161 328.9503 6.133305 314.4784 6.701993 14.47198       9.084830 
1 1 1 7   5  14 o 128.5161 5.982283 218.4707       20.16113 204.6000      25.40879 242.0475       33.12661 123.1481 7.662543 133.8841 9.188922 -10.73602      11.96457 
1 1 1 7   5  15 o 260.2058 4.666973 906.2295       32.18592 876.4668      41.66162 950.2909       50.69073 254.9776 6.068073 265.4341 7.092322 -10.45656      9.333945 
1 1 1 7   5  16 o 258.9598 4.895940 895.0039       33.15032 863.2435      41.78647 948.9360       54.45225 252.9169 6.135845 265.0027 7.631012 -12.08577      9.791881 
1 1 1 7   5  17 o 372.4273 5.442917 1867.808       53.83877 1826.029      70.20158 1927.474       83.89415 367.5282 7.093700 377.3264 8.257166 -9.798279      10.88583 
1 1 1 7   5  18 f 97.05636 14.68953 129.3088       38.38976 129.3088      38.38976 0.000000       0.000000 97.05636 14.68953 ?        ?        ?              ?        
1 1 1 7   5  19 o 243.4437 8.763400 806.2485       57.44531 806.2485      57.44531 0.000000       0.000000 243.4437 8.763400 ?        ?        ?              ?        
1 1 1 7   5  20 o 95.58515 18.40810 132.3830       48.76223 106.5189      64.83395 166.0682       73.99001 85.54224 25.91269 105.6281 26.15274 -20.08583      36.81621 
1 1 1 7   5  21 o 132.7508 12.11494 263.1589       42.57075 300.1697      58.59874 221.7949       61.94914 144.0556 15.10688 121.4461 18.94386 22.60953       24.22989 
1 1 1 7   5  22 o 56.53530 16.02139 40.84063       37.21262 47.68404      49.97160 32.32141       55.75537 58.08179 22.46475 54.98882 22.84896 3.092976       32.04279 
1 1 1 7   5  23 o 48.57896 14.95441 17.61289       37.11610 33.45739      51.69775 0.7583833      53.32003 51.94346 21.82307 45.21447 20.45217 6.728985       29.90882 
1 1 1 7   5  24 o 41.22159 13.57053 -2.455431      35.36286 -19.71295     45.02687 25.32349       57.12684 36.02771 17.11391 46.41546 21.06540 -10.38774      27.14106 
1 1 1 7   7  0  f 1710.323 22.27617 39530.56       970.5995 39461.91      1192.759 39665.13       1669.921 1709.387 25.91367 1711.258 36.24075 -1.870728      44.55233 
1 1 1 7   7  1  o 1145.939 14.88650 17718.69       433.3963 17706.39      531.1807 17743.17       749.5909 1145.826 17.21631 1146.051 24.29053 -0.2246094     29.77299 
1 1 1 7   7  2  o 820.7236 12.33363 9076.154       272.5658 9076.154      272.5658 0.000000       0.000000 820.7236 12.33363 ?        ?        ?              ?        
1 1 1 7   7  3  o 569.7952 6.138181 4371.408       94.15531 4442.281      134.9099 4304.104       131.4683 574.2951 8.724192 565.2952 8.636987 8.999878       12.27636 
1 1 1 7   7  4  o 2026.907 21.51151 55665.61       1173.878 55155.41      1643.189 56197.38       1677.573 2017.499 30.24758 2036.315 30.59517 -18.81604      43.02303 
1 1 1 7   7  5  o 909.8563 9.693111 11164.34       237.4434 11304.06      339.2374 11030.15       332.4566 915.4290 13.76245 904.2836 13.65359 11.14539       19.38622 
1 1 1 7   7  6  o 76.26091 5.480419 78.59109       10.77676 79.10992      13.45201 77.66147       18.00643 76.62530 6.519760 75.89653 8.810943 0.7287674      10.96084 
1 1 1 7   7  7  o 216.0299 3.517289 627.6507       20.17615 621.9797      26.36728 635.6620       31.33931 214.8681 4.557325 217.1918 5.358739 -2.323746      7.034579 
1 1 1 7   7  8  o 199.2238 3.805192 538.8093       19.99900 554.7843      26.02540 515.7729       31.25236 202.8847 4.763922 195.5628 5.934896 7.321884       7.610384 
1 1 1 7   7  9  o 255.9636 3.986205 885.3422       27.16339 894.9254      35.92638 872.5523       41.50420 257.6203 5.179049 254.3069 6.061088 3.313446       7.972411 
1 1 1 7   7  10 f 239.7702 4.258092 779.6224       26.88099 795.1540      34.75217 756.4884       42.41311 242.8162 5.315216 236.7243 6.653862 6.091873       8.516185 
1 1 1 7   7  11 o 124.7696 5.839628 216.6551       18.40224 230.4612      22.83734 191.0932       31.07473 130.6921 6.489524 118.8471 9.710360 11.84496       11.67926 
1 1 1 7   7  12 o 426.6238 5.303419 2459.643       60.80818 2520.649      84.10049 2392.810       88.02521 432.2113 7.226350 421.0362 7.764334 11.17508       10.60684 
1 1 1 7   7  13 o 33.48272 10.56000 -9.946643      18.83865 -6.937443     23.78712 -15.00964      30.85462 32.07484 14.13724 34.89059 15.69052 -2.815746      21.11999 
1 1 1 7   7  14 o 142.7694 6.371442 283.8943       23.38313 309.8246      29.83196 242.5804       37.65534 151.5592 7.309976 133.9796 10.43769 17.57961       12.74288 
1 1 1 7   7  15 o 50.43541 12.15527 19.32510       21.41279 -4.590144     26.93532 60.39309       35.29689 35.10785 15.26821 65.76298 18.91783 -30.65513      24.31055 
1 1 1 7   7  16 o 474.4277 6.076629 3046.660       77.09052 3053.091      103.2040 3038.542       115.9508 475.1374 8.066665 473.7180 9.090138 1.419373       12.15326 
1 1 1 7   7  17 o 180.1248 6.746331 429.6199       31.20515 406.8184      38.25644 474.9517       53.94164 173.3360 8.196574 186.9137 10.71765 -13.57764      13.49266 
1 1 1 7   7  18 o 210.3536 7.824296 597.2646       43.28050 575.7560      55.10167 631.9079       69.93082 205.7193 9.947327 214.9880 12.08011 -9.268753      15.64859 
1 1 1 7   7  19 o 179.9655 10.44822 450.6357       48.77160 448.8004      61.28070 453.8067       80.55231 180.2890 12.62325 179.6420 16.65278 0.6470337      20.89645 
1 1 1 7   7  20 o 149.0570 12.25475 334.0753       47.46988 381.3564      63.07321 272.3058       72.09224 163.4665 14.32955 134.6474 19.88416 28.81915       24.50951 
1 1 1 7   7  21 o 115.7578 15.74498 223.7317       46.27218 278.9870      60.76377 147.4592       71.39075 138.4892 16.29467 93.02634 26.94626 45.46282       31.48995 
1 1 1 7   7  22 o 43.60454 14.03677 -17.86767      38.05892 14.12127      48.47763 -69.26010      61.44564 47.91285 20.65952 39.29623 19.00809 8.616615       28.07353 
1 1 1 7   7  23 o 53.98391 15.89623 38.49137       38.45230 11.61939      49.93092 77.65518       60.27846 45.32554 20.20166 62.64228 24.54900 -17.31674      31.79246 
1 1 1 7   7  24 o 47.13068 13.58016 17.98169       28.91017 87.44243      48.14315 -21.19276      36.15482 62.07279 22.43855 32.18858 15.30341 29.88421       27.16032 
1 1 1 7   9  0  o 1095.593 16.43620 16200.67       484.7971 16006.14      678.0417 16404.12       693.4307 1088.882 23.12556 1102.305 23.36242 -13.42334      32.87240 
1 1 1 7   9  1  o 105.8477 3.564472 155.0547       5.558293 155.8932      5.807638 145.9144       19.17510 107.6048 2.004400 104.0907 6.841361 3.514160       7.128944 
1 1 1 7   9  2  o 557.9448 7.003188 4167.265       89.98117 4142.654      103.1285 4245.749       184.1658 554.6138 6.905654 561.2759 12.18567 -6.662109      14.00638 
1 1 1 7   9  3  o 889.3818 11.62948 10658.38       261.8222 10626.45      319.5641 10723.58       456.6532 887.7181 13.36902 891.0457 19.03282 -3.327576      23.25895 
1 1 1 7   9  4  o 511.0783 6.859012 3549.809       89.74098 3616.401      111.4346 3426.926       151.3761 518.0567 7.988392 504.0999 11.15212 13.95682       13.71802 
1 1 1 7   9  5  o 610.7543 8.114691 5072.954       126.8680 5154.466      157.4282 4921.948       214.2748 618.1028 9.458854 603.4056 13.18798 14.69720       16.22938 
1 1 1 7   9  6  o 744.2186 9.851816 7526.440       186.5662 7574.453      229.4880 7432.857       320.3903 748.4996 11.38636 739.9377 16.08055 8.561829       19.70363 
1 1 1 7   9  7  o 233.2640 4.479898 735.1609       25.72539 736.8676      30.71277 731.1483       47.09318 233.8114 4.878317 232.7166 7.515316 1.094727       8.959796 
1 1 1 7   9  8  o 281.1611 4.459235 1072.773       32.60794 1090.554      41.28146 1043.274       53.17284 284.3647 5.391329 277.9575 7.104413 6.407288       8.918470 
1 1 1 7   9  9  o 568.6138 6.589798 4371.331       100.4512 4329.065      135.5366 4422.839       149.6250 565.6985 8.897910 571.5291 9.722600 -5.830505      13.17960 
1 1 1 7   9  10 f 294.2656 4.815876 1175.434       37.17496 1199.683      47.75286 1138.131       59.22773 298.2266 5.946614 290.3045 7.576836 7.922028       9.631753 
1 1 1 7   9  11 o 185.7914 5.268008 483.1800       24.90732 527.9866      31.43343 407.5804       40.83011 197.8807 5.899361 173.7020 8.729557 24.17862       10.53602 
1 1 1 7   9  12 o 138.7195 6.256154 256.2276       22.22648 248.3412      27.28389 271.7871       38.32347 135.6565 7.469342 141.7825 10.03827 -6.126038      12.51231 
1 1 1 7   9  13 o 354.5494 5.328370 1689.144       49.47318 1667.994      62.83223 1723.647       80.25352 351.7175 6.634452 357.3812 8.339673 -5.663666      10.65674 
1 1 1 7   9  14 o 259.4419 5.466629 912.9379       35.75095 921.8843      43.60336 894.5872       62.44835 261.4922 6.192667 257.3915 9.010384 4.100708       10.93326 
1 1 1 7   9  15 o 280.2191 5.561374 1030.311       39.57716 972.9713      47.90971 1153.514       70.22761 268.4584 6.627704 291.9799 8.932471 -23.52142      11.12275 
1 1 1 7   9  16 o 232.7196 5.960269 743.8203       35.73063 771.4419      44.93476 696.3241       58.92345 238.8913 6.985520 226.5478 9.659284 12.34348       11.92054 
1 1 1 7   9  17 o 216.4175 7.223247 614.2549       40.08575 567.7014      48.87202 709.9620       70.07384 204.5891 8.871446 228.2460 11.40170 -23.65683      14.44649 
1 1 1 7   9  18 o 212.6171 8.088391 603.2060       44.71127 560.9474      55.54959 680.9479       75.34439 202.7050 10.17731 222.5292 12.57420 -19.82425      16.17678 
1 1 1 7   9  19 o 55.45794 17.23524 -60.60912      53.13305 -132.2228     68.97752 43.88562       83.32143 39.15903 19.20273 71.75685 28.62639 -32.59782      34.47049 
1 1 1 7   9  20 o 75.11516 18.45145 91.86334       45.63881 93.93754      62.44154 89.48434       66.87205 75.78582 25.68342 74.44449 26.49880 1.341331       36.90290 
1 1 1 7   9  21 f 51.33216 15.57891 4.150896       41.69252 49.34759      57.32922 -46.58874      60.74303 60.26831 23.83889 42.39600 20.06282 17.87231       31.15782 
1 1 1 7   9  22 o 151.2837 12.49200 334.7863       50.88707 334.7863      50.88707 0.000000       0.000000 151.2837 12.49200 ?        ?        ?              ?        
1 1 1 7   9  23 o 136.8484 13.84188 296.1269       51.00566 296.1269      51.00566 0.000000       0.000000 136.8484 13.84188 ?        ?        ?              ?        
1 1 1 7   11 0  o 703.9586 9.293518 6666.957       166.3063 6635.578      203.7345 6729.620       287.9049 701.6650 10.78329 706.2523 15.13930 -4.587280      18.58704 
1 1 1 7   11 1  o 57.09232 7.661736 64.68748       6.504672 69.23456      6.837641 21.38154       21.10155 71.70556 3.541360 42.47907 14.90864 29.22649       15.32347 
1 1 1 7   11 2  o 250.2929 4.085567 866.8513       25.55615 909.9172      31.27678 780.3385       44.32978 259.9283 4.468739 240.6575 6.840893 19.27083       8.171135 
1 1 1 7   11 3  o 351.6344 5.015095 1678.690       44.65961 1702.580      54.76920 1631.287       77.14864 355.4701 5.722027 347.7987 8.237907 7.671356       10.03019 
1 1 1 7   11 4  f 551.3624 7.037427 4055.602       88.46889 4012.486      100.8389 4199.708       184.3529 545.5211 6.864881 557.2037 12.28719 -11.68262      14.07485 
1 1 1 7   11 5  o 313.5984 4.572247 1313.733       32.24738 1303.411      36.56515 1349.863       68.40661 311.0128 4.366220 316.1841 8.034792 -5.171295      9.144494 
1 1 1 7   11 6  o 210.8770 4.565772 594.0758       24.73972 580.7045      30.53758 619.6117       42.20096 207.5228 5.464941 214.2313 7.315702 -6.708542      9.131543 
1 1 1 7   11 7  o 477.8124 6.734290 3097.156       81.66155 3105.922      100.0891 3079.702       141.2320 479.3215 7.754901 476.3032 11.01200 3.018311       13.46858 
1 1 1 7   11 8  o 97.45385 9.231537 138.6393       21.02466 150.5276      25.39987 112.7674       37.47029 105.4606 8.944534 89.44707 16.15179 16.01355       18.46307 
1 1 1 7   11 9  o 362.3621 5.363431 1819.616       45.07706 1867.548      52.28395 1680.811       88.97288 372.1835 5.217084 352.5407 9.372705 19.64276       10.72686 
1 1 1 7   11 10 f 518.1439 7.360735 3633.998       96.86682 3639.336      118.7656 3623.390       167.4166 519.1133 8.496601 517.1744 12.02204 1.938843       14.72147 
1 1 1 7   11 11 o 230.5163 5.402826 719.9636       31.90950 726.4274      39.55930 707.9254       53.98652 232.0907 6.330055 228.9420 8.757426 3.148743       10.80565 
1 1 1 7   11 12 f 250.2132 5.477209 828.2028       34.44269 800.4164      41.46354 890.0555       61.86285 243.6603 6.319726 256.7662 8.947643 -13.10593      10.95442 
1 1 1 7   11 13 o 650.9582 8.995448 5704.809       147.2353 5644.869      178.2916 5833.340       261.0808 646.2829 10.24530 655.6335 14.78872 -9.350586      17.99090 
1 1 1 7   11 14 o 370.7790 6.273542 1819.724       57.60794 1760.384      68.53353 1962.617       106.3491 361.0367 7.049664 380.5213 10.37938 -19.48465      12.54708 
1 1 1 7   11 15 o 173.0105 7.258074 420.7205       31.75999 454.0956      39.67918 361.2138       52.98274 183.1768 8.044683 162.8442 12.08311 20.33260       14.51615 
1 1 1 7   11 16 o 204.2359 7.539840 534.6506       39.30297 473.3243      47.41843 669.2548       70.25107 186.8036 9.427106 221.6681 11.76973 -34.86446      15.07968 
1 1 1 7   11 17 o 251.7797 7.821266 821.0418       50.37417 736.5855      61.01488 1001.857       89.27649 232.7991 9.733545 270.7603 12.24528 -37.96115      15.64253 
1 1 1 7   11 18 o 245.6602 10.06528 813.1225       64.76025 784.0935      81.87523 861.6328       105.8409 240.1774 12.66010 251.1429 15.65125 -10.96552      20.13057 
1 1 1 7   11 19 o 175.0449 10.54602 445.4966       47.04218 482.9799      59.50179 383.0112       76.82468 186.6397 11.83975 163.4500 17.45550 23.18968       21.09204 
1 1 1 7   11 20 o 190.7804 9.472111 519.3754       47.69218 533.7877      62.24112 498.8795       74.22398 195.0621 11.85008 186.4987 14.78036 8.563416       18.94422 
1 1 1 7   11 21 o 54.11009 16.28541 27.80599       39.89250 19.59660      49.46541 43.07873       67.46902 49.36021 21.06704 58.85997 24.84024 -9.499760      32.57082 
1 1 1 7   11 22 o 55.02416 15.94154 49.92032       40.55641 74.23572      49.49331 0.2231842      70.75734 61.99526 22.69872 48.05307 22.38971 13.94219       31.88308 
1 1 1 7   11 23 o 43.04963 14.07144 12.36713       36.96734 16.47416      44.62847 3.388612       65.98569 42.11253 18.91003 43.98673 20.84305 -1.874199      28.14289 
1 1 1 7   13 0  f 193.7403 2.754118 505.5764       14.36471 505.1443      20.10810 506.0268       20.52795 193.6566 3.856161 193.8239 3.933278 -0.1672974     5.508235 
1 1 1 7   13 1  o 384.4335 6.154706 1992.135       63.71063 1992.135      63.71063 0.000000       0.000000 384.4335 6.154706 ?        ?        ?              ?        
1 1 1 7   13 2  o 243.7514 4.434853 800.5582       29.10783 800.5582      29.10783 0.000000       0.000000 243.7514 4.434853 ?        ?        ?              ?        
1 1 1 7   13 3  o 341.9041 3.962457 1574.448       36.43876 1612.640      53.03826 1540.305       50.14753 345.8179 5.695848 337.9902 5.510133 7.827667       7.924913 
1 1 1 7   13 4  o 417.6712 5.910197 2346.179       61.67480 2327.428      74.30882 2387.693       110.5692 415.2879 6.645194 420.0546 9.775639 -4.766663      11.82039 
1 1 1 7   13 5  o 98.75868 5.752913 120.7935       11.42002 115.7050      12.40024 149.2152       29.30627 92.62608 4.971798 104.8913 10.37619 -12.26521      11.50583 
1 1 1 7   13 6  o 321.4185 5.004228 1368.226       38.89572 1335.220      45.58677 1456.561       74.57792 314.6388 5.380754 328.1981 8.438997 -13.55923      10.00846 
1 1 1 7   13 7  o 248.4063 4.662341 814.8300       26.92012 797.8534      30.88481 868.5121       54.92058 243.2847 4.714621 253.5278 8.045000 -10.24316      9.324681 
1 1 1 7   13 8  o 169.6305 5.058139 395.2016       17.15148 398.6634      18.81456 378.1761       41.72460 172.0097 4.062166 167.2512 9.264874 4.758484       10.11628 
1 1 1 7   13 9  o 366.7664 5.372201 1798.540       45.16595 1783.428      51.63033 1847.809       93.22308 363.7452 5.271379 369.7876 9.362411 -6.042358      10.74440 
1 1 1 7   13 10 f 171.6676 5.202923 371.0276       18.38210 357.5340      20.10461 439.8051       45.38947 162.8952 4.583570 180.4401 9.341975 -17.54486      10.40585 
1 1 1 7   13 11 o 78.01157 10.14055 83.63531       15.33551 83.40627      16.72023 84.84885       38.48636 78.62464 7.897692 77.39848 18.68018 1.226158       20.28109 
1 1 1 7   13 12 o 293.2929 5.103357 1169.374       34.28105 1177.676      39.32312 1143.084       69.97558 295.6264 4.939936 290.9593 8.931632 4.667114       10.20671 
1 1 1 7   13 13 o 272.6714 5.300215 975.6942       31.63240 955.8253      35.39585 1054.506       70.49562 266.2452 4.937275 279.0976 9.380427 -12.85245      10.60043 
1 1 1 7   13 14 o 199.5560 5.923588 533.3887       26.19672 529.0243      29.53663 549.4792       56.71306 197.9804 5.540580 201.1316 10.47175 -3.151199      11.84718 
1 1 1 7   13 15 o 141.9296 8.187979 261.4821       25.18045 253.1990      28.01762 296.2787       57.42540 136.8054 7.605794 147.0538 14.50255 -10.24844      16.37596 
1 1 1 7   13 16 o 100.2222 14.02495 144.6402       29.38615 145.6524      32.64560 140.3172       67.46648 103.2900 11.73770 97.15450 25.47594 6.135468       28.04991 
1 1 1 7   13 17 o 71.86749 19.22505 38.57273       54.13889 -11.94081     72.42593 102.5418       81.50332 56.73652 24.84676 86.99845 29.34362 -30.26193      38.45009 
1 1 1 7   13 18 o 185.6260 9.436173 493.8628       37.45689 501.7445      42.06063 463.6558       82.34185 191.5840 8.153297 179.6681 17.02026 11.91585       18.87235 
1 1 1 7   13 19 o 50.16810 15.04314 18.76619       30.26877 23.95662      33.54827 -3.955897      70.19282 47.00658 18.34374 53.32963 23.84725 -6.323051      30.08628 
1 1 1 7   13 20 o 84.11565 14.97577 110.9892       29.32276 107.2554      32.70639 126.2852       66.19842 85.49531 14.20715 82.73600 26.36762 2.759308       29.95154 
1 1 1 7   13 21 o 38.68695 12.82873 -12.20940      28.98355 -4.548799     32.43005 -42.61293      64.60678 35.58288 16.03604 41.79102 20.02876 -6.208138      25.65747 
1 1 1 7   13 22 o 50.58160 15.14637 38.43982       30.17896 24.70545      34.12225 87.77306       64.67004 42.21819 17.73300 58.94500 24.55995 -16.72681      30.29274 
1 1 1 7   15 0  o 107.4073 3.269873 156.9885       9.366149 174.3371      12.91285 137.7279       13.60577 113.7396 4.216256 101.0750 4.999147 12.66454       6.539747 
1 1 1 7   15 1  o 249.3217 3.258076 837.0989       21.85281 857.4080      31.72454 818.7617       30.14501 252.1918 4.671765 246.4515 4.542559 5.740234       6.516151 
1 1 1 7   15 2  f 395.9568 4.502441 2116.551       48.00075 2125.827      68.35503 2107.526       67.42123 396.8075 6.397454 395.1061 6.337231 1.701416       9.004883 
1 1 1 7   15 3  o 103.9996 3.176253 143.2829       8.559227 154.8577      14.43681 137.0091       10.62869 107.1673 5.002943 100.8318 3.914704 6.335526       6.352507 
1 1 1 7   15 4  o 236.2581 4.411260 752.4949       28.06291 0.000000      0.000000 752.4949       28.06291 ?        ?        236.2581 4.411260 ?              ?        
1 1 1 7   15 5  o 276.3148 3.539098 1023.362       26.25094 953.3757      35.47714 1108.045       39.02479 265.9378 4.954332 286.6919 5.055240 -20.75406      7.078196 
1 1 1 7   15 6  o 269.0461 5.210521 975.8074       37.74775 975.8074      37.74775 0.000000       0.000000 269.0461 5.210521 ?        ?        ?              ?        
1 1 1 7   15 7  o 456.5014 6.511990 2795.909       73.82168 2765.031      88.43722 2866.867       134.0625 452.6817 7.255357 460.3212 10.81591 -7.639496      13.02398 
1 1 1 7   15 8  o 400.5273 6.952352 2168.371       74.97683 2157.039      106.3677 2179.561       105.7019 399.4782 9.888569 401.5764 9.775325 -2.098206      13.90470 
1 1 1 7   15 9  o 353.7299 5.403646 1657.166       44.03750 1629.314      50.35542 1747.738       90.80550 347.7044 5.378394 359.7554 9.373923 -12.05103      10.80729 
1 1 1 7   15 10 o 78.99398 10.10283 86.24075       14.55087 86.22941      15.67302 86.31156       39.15977 79.95363 7.279998 78.03433 18.84863 1.919296       20.20567 
1 1 1 7   15 11 o 99.45839 9.286862 144.3043       16.04980 147.3717      17.30632 125.4520       42.90437 104.5294 6.148695 94.38741 17.52646 10.14194       18.57372 
1 1 1 7   15 12 o 533.1841 7.230269 3845.607       89.85089 3836.808      103.7104 3872.087       179.9126 532.8984 7.227608 533.4697 12.52473 -0.5713501     14.46054 
1 1 1 7   15 13 o 226.0513 5.571233 686.9466       27.30117 683.7891      30.56372 699.4130       60.72977 225.1225 5.042013 226.9801 9.936430 -1.857651      11.14247 
1 1 1 7   15 14 o 54.39929 14.21388 -0.6931100     21.57146 -14.07206     23.10965 89.89026       60.13211 29.28169 13.33122 79.51689 25.10809 -50.23521      28.42776 
1 1 1 7   15 15 o 317.1366 7.561600 1363.717       62.68578 1344.739      79.38428 1395.152       102.1677 314.6413 9.369909 319.6318 11.87080 -4.990540      15.12320 
1 1 1 7   15 16 o 278.9557 9.713324 1056.429       72.26097 1037.616      95.42141 1081.725       110.6452 276.2524 12.82793 281.6590 14.58900 -5.406586      19.42665 
1 1 1 7   15 17 o 53.95235 13.19838 41.18216       26.67526 62.70793      28.51063 -110.0428      75.56822 65.16401 16.29210 42.74068 20.76912 22.42333       26.39676 
1 1 1 7   15 18 o 83.76646 15.97931 76.71104       27.63230 60.50516      29.62658 185.0732       76.60974 63.19253 17.02746 104.3404 27.04477 -41.14788      31.95863 
1 1 1 7   15 19 o 120.5883 11.08508 203.9940       28.42327 195.8562      31.52324 239.3721       65.72705 118.0808 9.914436 123.0957 19.82977 -5.014900      22.17016 
1 1 1 7   15 20 o 54.84966 14.91336 47.91970       27.81650 50.57824      30.64695 35.48866       66.27040 55.27137 17.97313 54.42796 23.80334 0.8434143      29.82671 
1 1 1 7   15 21 o 53.47387 14.76311 56.57089       28.84371 58.27827      31.96743 49.09302       66.90073 55.53075 18.37085 51.41699 23.11514 4.113758       29.52623 
1 1 1 7   17 0  o 303.3330 3.772768 1239.951       30.79937 1271.428      44.43285 1210.839       42.73076 307.0316 5.374495 299.6343 5.296216 7.397339       7.545535 
1 1 1 7   17 1  o 389.5814 4.474713 2047.356       46.93659 2019.525      65.88208 2076.042       66.88602 386.8939 6.324003 392.2690 6.332395 -5.375153      8.949427 
1 1 1 7   17 2  o 457.5818 5.119217 2825.930       63.05957 2853.182      90.34405 2800.038       88.05923 459.7226 7.298276 455.4409 7.180579 4.281677       10.23843 
1 1 1 7   17 3  o 401.2722 6.552562 2172.111       70.80004 2172.111      70.80004 0.000000       0.000000 401.2722 6.552562 ?        ?        ?              ?        
1 1 1 7   17 4  o 687.9800 10.56605 6402.431       195.7365 6402.431      195.7365 0.000000       0.000000 687.9800 10.56605 ?        ?        ?              ?        
1 1 1 7   17 5  o 432.7692 4.892772 2520.627       56.89573 2615.638      83.76744 2439.258       77.52058 440.3030 7.065456 425.2353 6.770245 15.06772       9.785544 
1 1 1 7   17 6  o 604.6493 6.600795 4931.702       107.3568 5073.572      156.1817 4804.626       147.8145 612.8546 9.464314 596.4439 9.203734 16.41071       13.20159 
1 1 1 7   17 7  f 484.8544 5.450768 3170.720       71.15458 3116.998      99.75634 3226.361       101.5224 480.6747 7.707365 489.0341 7.709737 -8.359436      10.90154 
1 1 1 7   17 8  o 450.3766 5.153609 2735.686       62.47566 2751.149      89.68983 2721.110       87.07600 451.6024 7.375705 449.1508 7.199841 2.451569       10.30722 
1 1 1 7   17 9  o 376.7278 9.798101 1918.452       99.39236 0.000000      0.000000 1918.452       99.39236 ?        ?        376.7278 9.798101 ?              ?        
1 1 1 7   17 10 o 474.4630 6.882443 3017.994       80.26635 2974.024      95.34874 3124.946       148.7074 469.1542 7.547723 479.7718 11.51104 -10.61765      13.76489 
1 1 1 7   17 11 o 189.9889 5.900552 477.0658       23.71141 470.0974      26.27061 507.6944       55.07669 186.6557 5.226916 193.3220 10.58043 -6.666275      11.80110 
1 1 1 7   17 12 o 411.8914 6.306812 2264.566       60.27525 2231.862      69.21214 2367.243       122.6350 406.4890 6.323391 417.2938 10.91413 -10.80475      12.61362 
1 1 1 7   17 13 o 181.2990 10.17838 456.2691       49.11658 419.1259      73.32158 486.5043       66.15292 174.1963 15.63182 188.4017 13.04010 -14.20543      20.35677 
1 1 1 7   17 14 o 436.8675 7.946551 2551.604       87.44736 2329.620      104.5916 3067.196       159.4006 409.5381 9.484596 464.1968 12.75277 -54.65863      15.89310 
1 1 1 7   17 15 o 108.3267 20.46288 174.3381       60.80149 163.1092      90.46890 183.5879       82.11014 105.0901 30.30298 111.5633 27.50721 -6.473160      40.92575 
1 1 1 7   17 16 o 44.15047 14.13985 -15.10818      25.43176 -21.64425     27.55797 22.41271       66.02756 30.23238 14.04844 58.06855 24.54348 -27.83616      28.27970 
1 1 1 7   17 17 o 110.3782 13.60790 188.9035       27.71868 191.1675      30.15269 176.5543       70.42160 117.5773 9.523997 103.1790 25.49496 14.39824       27.21580 
1 1 1 7   17 18 o 136.7058 11.37888 320.7480       28.24804 344.6949      31.43254 220.2055       64.40664 158.0499 7.385876 115.3617 21.52590 42.68820       22.75775 
1 1 1 7   17 19 o 58.24806 14.65490 55.93809       24.93911 55.67517      27.22013 57.31248       62.23586 58.19922 16.57205 58.29691 24.17503 -0.9769058E-01 29.30980 
1 1 1 7   17 20 o 44.89967 12.98805 32.54867       25.58247 43.30239      28.56305 -11.06074      57.51952 49.06849 17.33409 40.73085 19.34651 8.337639       25.97611 
1 1 1 7   19 0  o 354.1128 4.276772 1690.765       40.77753 1680.373      57.33507 1701.402       58.00709 353.0132 6.031787 355.2123 6.064705 -2.199097      8.553543 
1 1 1 7   19 1  o 505.2082 5.626200 3445.462       76.53603 3438.885      108.3744 3452.007       108.1026 504.7242 7.974241 505.6921 7.939017 -0.9678955     11.25240 
1 1 1 7   19 2  o 566.9258 8.869537 4340.292       135.3975 4340.292      135.3975 0.000000       0.000000 566.9258 8.869537 ?        ?        ?              ?        
1 1 1 7   19 3  o 760.8405 8.222063 7817.324       168.2245 7582.301      230.8771 8083.313       245.6171 748.7251 11.45184 772.9559 11.80105 -24.23083      16.44413 
1 1 1 7   19 4  o 86.10616 6.206789 98.86042       14.29010 84.84168      19.12429 116.5828       21.50265 79.27437 8.959197 92.93794 8.592421 -13.66357      12.41358 
1 1 1 7   19 5  o 115.9131 4.091306 182.3258       12.41517 175.7551      19.86517 186.5372       15.90369 114.1709 6.461799 117.6554 5.019989 -3.484482      8.182611 
1 1 1 7   19 6  o 217.0670 3.341594 634.1990       19.51184 595.4874      27.15103 675.5436       28.05920 210.2215 4.796515 223.9124 4.653864 -13.69092      6.683188 
1 1 1 7   19 7  o 386.2081 4.566548 2007.058       47.37484 2096.417      69.97765 1931.448       64.36945 394.1002 6.594310 378.3160 6.318902 15.78415       9.133097 
1 1 1 7   19 8  o 214.5078 3.745178 621.1602       21.58039 612.8882      31.51541 628.4630       29.61201 213.1472 5.491108 215.8685 5.094427 -2.721313      7.490357 
1 1 1 7   19 9  o 161.1391 4.350193 348.8120       18.45643 359.3614      29.55986 342.0717       23.62802 163.0767 6.731737 159.2015 5.511844 3.875183       8.700385 
1 1 1 7   19 10 o 171.1170 4.316813 390.7046       19.65097 424.9190      30.71904 367.0054       25.56642 177.3535 6.432568 164.8804 5.758606 12.47313       8.633625 
1 1 1 7   19 11 o 129.7460 16.63987 233.2114       58.13361 0.000000      0.000000 233.2114       58.13361 ?        ?        129.7460 16.63987 ?              ?        
1 1 1 7   19 12 f 74.77254 13.11038 9.297968       28.72029 -34.73762     31.78480 205.1959       67.03976 30.90009 14.58891 118.6450 21.78744 -87.74490      26.22077 
1 1 1 7   19 13 o 202.4240 11.87533 561.2600       64.69180 564.7806      90.17039 557.5259       92.86514 203.1406 16.48480 201.7073 17.09810 1.433365       23.75066 
1 1 1 7   19 14 o 110.4364 12.95557 162.7240       27.39010 152.9622      29.64755 219.6007       71.56364 104.7044 10.51576 116.1684 23.68135 -11.46398      25.91115 
1 1 1 7   19 15 o 93.46857 13.87679 156.0451       24.96710 165.7284      27.04574 100.2145       64.94152 109.4625 9.175933 77.47467 26.19282 31.98780       27.75359 
1 1 1 7   19 16 o 64.78255 15.52687 44.70694       25.95921 30.02020      28.41896 118.7003       63.78844 47.28520 17.21724 82.27988 25.84377 -34.99468      31.05373 
1 1 1 7   19 17 o 55.17601 14.13650 48.72746       26.40545 57.30770      29.33348 12.07091       60.63029 59.85351 17.25400 50.49851 22.39782 9.355000       28.27301 
1 1 1 7   19 18 o 32.49793 11.18380 -27.01758      24.09784 -15.84388     25.98306 -95.74338      64.43943 29.06791 13.55182 35.92794 17.79488 -6.860025      22.36760 
1 1 1 7   19 19 o 58.05970 12.40277 75.09133       25.20140 89.96772      27.38707 -7.108750      64.37730 73.65954 14.32385 42.45987 20.25196 31.19967       24.80553 
1 1 1 7   21 0  o 109.7603 5.452278 173.8425       15.03564 217.4264      19.87999 115.5901       22.98318 127.0037 5.813217 92.51701 9.225824 34.48668       10.90456 
1 1 1 7   21 1  o 379.4939 4.547307 1940.072       46.43568 1988.460      67.17709 1895.795       64.25994 384.0154 6.496644 374.9724 6.364401 9.042969       9.094613 
1 1 1 7   21 2  o 249.0365 3.661585 833.6846       24.52146 881.0907      35.79089 791.7457       33.66393 255.6907 5.198454 242.3822 5.157992 13.30841       7.323169 
1 1 1 7   21 3  o 219.3016 3.651371 645.3279       21.51076 698.9086      31.72437 599.7302       29.26579 227.6874 5.174526 210.9158 5.153089 16.77156       7.302742 
1 1 1 7   21 4  o 130.0043 4.876245 228.5339       16.66268 229.6696      21.38970 226.7807       26.57451 130.4583 6.089052 129.5504 7.618039 0.9078674      9.752490 
1 1 1 7   21 5  o 251.0244 3.915249 845.9612       26.31716 812.8524      35.12969 888.3080       39.72950 245.4753 5.314753 256.5736 5.750661 -11.09827      7.830499 
1 1 1 7   21 6  o 193.2943 3.678459 502.2817       18.96128 517.0178      29.07877 491.3814       25.00953 195.7256 5.517534 190.8629 4.866319 4.862701       7.356918 
1 1 1 7   21 7  f 36.10659 9.567611 13.19230       12.83901 2.957419      20.99868 19.30275       16.22508 33.35818 13.95507 38.85500 13.09247 -5.496815      19.13522 
1 1 1 7   21 8  f 223.8111 3.859570 670.5524       22.98257 711.1561      35.77377 642.0162       29.99026 229.4967 5.789018 218.1255 5.106112 11.37117       7.719139 
1 1 1 7   21 9  o 202.5887 4.631040 557.1598       25.11608 532.9557      37.10072 577.6364       34.12461 198.4552 6.942831 206.7223 6.130515 -8.267166      9.262079 
1 1 1 7   21 10 o 44.78011 12.41721 18.43754       21.57046 16.35355      34.00748 19.84034       27.90130 45.51619 18.24317 44.04402 16.85037 1.472172       24.83442 
1 1 1 7   21 11 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   21 12 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   21 13 o 250.2831 12.00558 882.4034       80.90920 0.000000      0.000000 882.4034       80.90920 ?        ?        250.2831 12.00558 ?              ?        
1 1 1 7   21 14 o 57.51266 14.22259 23.79229       24.80617 3.596799      27.94751 98.78272       53.85410 37.15346 15.84565 77.87186 23.62296 -40.71841      28.44519 
1 1 1 7   21 15 o 159.8286 8.449399 343.2361       30.82958 323.7773      34.91024 412.1795       65.71139 152.5951 8.496284 167.0620 14.60762 -14.46698      16.89880 
1 1 1 7   21 16 o 91.53760 13.69222 133.2508       26.66059 128.5415      29.57661 153.6624       61.57597 93.83642 11.70560 89.23878 24.75654 4.597633       27.38444 
1 1 1 7   21 17 o 85.54260 18.15228 168.4296       45.36734 186.9664      65.31774 151.1521       63.06003 91.04588 25.58310 80.03934 25.75901 11.00654       36.30457 
1 1 1 7   23 0  o 259.4237 4.021128 908.6032       28.07954 923.0458      39.40408 893.7026       40.02412 261.5290 5.595489 257.3184 5.776536 4.210541       8.042255 
1 1 1 7   23 1  o 33.37807 9.869305 2.798678       14.93783 9.819386      18.65841 -9.734290      24.92936 34.80362 13.65269 31.95252 14.25541 2.851107       19.73861 
1 1 1 7   23 2  f 350.9898 4.428822 1663.155       41.83576 1638.451      58.08655 1689.782       60.30521 348.2957 6.193613 353.6840 6.332221 -5.388245      8.857644 
1 1 1 7   23 3  o 417.6593 4.999264 2358.189       56.21663 2380.567      80.21828 2336.593       78.80520 419.5986 7.099961 415.7200 7.039966 3.878540       9.998528 
1 1 1 7   23 4  o 322.8084 6.091631 1407.226       52.94950 1407.226      52.94950 0.000000       0.000000 322.8084 6.091631 ?        ?        ?              ?        
1 1 1 7   23 5  o 53.69418 16.62540 -53.44450      20.36021 39.87452      26.50476 -187.7816      31.80071 53.69418 16.62540 ?        ?        ?              ?        
1 1 1 7   23 6  o 165.3316 7.217663 370.0341       32.13186 370.0341      32.13186 0.000000       0.000000 165.3316 7.217663 ?        ?        ?              ?        
1 1 1 7   23 7  o 52.94443 11.50585 39.79677       18.33224 27.62809      28.88433 48.00485       23.72255 48.08178 17.38045 57.80708 15.08172 -9.725296      23.01170 
1 1 1 7   23 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   23 9  o 92.47314 13.57627 117.0235       33.80487 0.000000      0.000000 117.0235       33.80487 ?        ?        92.47314 13.57627 ?              ?        
1 1 1 7   23 10 o 158.3788 5.986472 349.6264       24.87733 307.1593      38.33802 380.5130       32.69553 149.5904 9.517933 167.1673 7.263632 -17.57689      11.97294 
1 1 1 7   23 11 o 95.81693 9.398368 136.3032       22.65233 109.2906      34.67474 156.4145       29.91923 85.72488 15.59639 105.9090 10.49142 -20.18409      18.79674 
1 1 1 7   23 12 f 122.9973 7.098502 212.1812       23.27338 191.5427      34.24847 229.8887       31.72343 117.0568 10.86579 128.9379 9.137262 -11.88111      14.19700 
1 1 1 7   23 13 o 210.3126 5.377694 614.1448       30.25492 576.2772      44.50057 646.6935       41.25711 203.8896 8.105636 216.7355 7.069444 -12.84592      10.75539 
1 1 1 7   23 14 o 56.13823 15.85058 44.68720       33.74737 34.08194      40.43615 69.02867       61.26080 49.91659 19.93318 62.35986 24.65019 -12.44328      31.70117 
1 1 1 7   23 15 o 128.2539 11.98272 264.6984       36.63547 254.6052      42.93869 291.7070       70.23985 129.7033 12.29460 126.8045 20.57147 2.898766       23.96545 
1 1 1 7   23 16 o 43.43840 14.25078 -0.2243171E-01 33.69528 -21.74965     38.92105 64.98417       67.32266 33.23268 15.82211 53.64411 23.70654 -20.41143      28.50156 
1 1 1 7   25 0  o 134.6631 6.515053 244.3014       22.66660 239.2465      28.18567 253.5548       38.13524 132.8690 7.878098 136.4572 10.37879 -3.588181      13.03011 
1 1 1 7   25 1  o 306.8164 4.558320 1271.282       37.49998 1256.585      50.62264 1289.154       55.82402 304.9094 6.165817 308.7234 6.715342 -3.814056      9.116639 
1 1 1 7   25 2  o 115.5020 7.184470 179.5314       21.87102 172.0902      27.93339 191.3203       35.15910 112.5542 9.216764 118.4499 11.02351 -5.895660      14.36894 
1 1 1 7   25 3  o 116.4220 7.637538 193.0287       22.82461 202.0374      28.73155 177.6179       37.57864 120.9084 8.825092 111.9356 12.46779 8.972755       15.27508 
1 1 1 7   25 4  o 119.4467 10.61338 194.5063       34.13588 194.5063      34.13588 0.000000       0.000000 119.4467 10.61338 ?        ?        ?              ?        
1 1 1 7   25 5  o 139.8508 10.58496 265.1006       39.86002 265.1006      39.86002 0.000000       0.000000 139.8508 10.58496 ?        ?        ?              ?        
1 1 1 7   25 6  o 153.0770 9.152556 325.6154       37.72556 325.6154      37.72556 0.000000       0.000000 153.0770 9.152556 ?        ?        ?              ?        
1 1 1 7   25 7  o 53.13146 12.35808 32.04942       21.66517 65.62714      34.47601 10.13570       27.85156 66.37358 18.56392 39.88934 16.31777 26.48425       24.71617 
1 1 1 7   25 8  f 134.0814 6.312037 257.0397       21.74669 213.1499      34.54537 285.8493       27.98831 123.6687 10.37401 144.4941 7.193547 -20.82549      12.62407 
1 1 1 7   25 9  o 40.48590 11.88101 9.195751       20.79424 15.56969      33.49605 5.199006       26.52424 44.02500 17.93915 36.94681 15.58270 7.078186       23.76202 
1 1 1 7   25 10 o 84.36105 9.334165 106.3321       20.02768 90.07083      30.56215 118.5710       26.51407 77.06923 15.26706 91.65287 10.74353 -14.58364      18.66833 
1 1 1 7   25 11 o 124.7421 6.737404 218.6418       22.35063 220.2824      34.41815 217.4454       29.39094 124.7278 10.24804 124.7565 8.749175 -0.2868652E-01 13.47481 
1 1 1 7   25 12 o 79.61366 11.40017 104.5981       23.40741 82.31185      36.53203 120.1200       30.48790 69.21110 19.01685 90.01624 12.57834 -20.80514      22.80033 
1 1 1 7   25 13 o 49.64297 12.38752 41.37852       24.31940 -2.223383     40.13525 66.67525       30.57070 38.09500 17.43002 61.19094 17.60674 -23.09594      24.77504 
1 1 1 7   25 14 o 80.48964 12.90704 118.8918       27.10925 125.2156      41.50190 114.1856       35.80286 81.01205 19.30045 79.96722 17.14232 1.044830       25.81407 
1 1 1 7   27 0  o 107.0294 9.426378 174.7989       25.35564 193.1896      31.99257 143.7348       41.57959 116.7619 10.17570 97.29684 15.87077 19.46507       18.85276 
1 1 1 7   27 1  o 82.38017 10.95148 88.96951       22.97716 60.79496      28.19136 144.7213       39.65674 63.83492 16.33389 100.9254 14.59261 -37.09052      21.90297 
1 1 1 7   27 2  o 218.7249 5.183606 654.9631       30.15424 675.5197      40.02652 627.9850       45.85415 222.9306 6.667986 214.5192 7.938327 8.411407       10.36721 
1 1 1 7   27 3  o 300.4343 7.235739 1234.561       58.53502 0.000000      0.000000 1234.561       58.53502 ?        ?        300.4343 7.235739 ?              ?        
1 1 1 7   27 4  o 47.63368 13.12772 25.75146       23.36905 29.33959      28.07679 17.66073       42.16066 47.27994 17.12884 47.98742 19.89851 -0.7074814     26.25543 
1 1 1 7   27 5  o 206.3725 6.718300 581.0875       37.33314 581.0875      37.33314 0.000000       0.000000 206.3725 6.718300 ?        ?        ?              ?        
1 1 1 7   27 6  o 115.8162 8.393798 206.7368       23.67634 256.3862      30.56611 132.2639       37.43542 136.2376 8.332201 95.39471 14.57387 40.84293       16.78760 
1 1 1 7   27 7  o 112.0187 8.235325 175.5963       24.59261 154.1488      32.16308 205.7857       38.15892 104.0297 11.48199 120.0077 11.80874 -15.97801      16.47065 
1 1 1 7   27 8  o 39.39465 11.62643 4.969668       21.90548 -17.79064     30.63334 28.78712       31.33668 32.16094 14.89827 46.62836 17.85321 -14.46742      23.25286 
1 1 1 7   27 9  o 134.4840 6.423954 256.2963       23.21380 275.4224      32.91109 237.3592       32.74806 139.7224 8.747681 129.2456 9.409933 10.47684       12.84791 
1 1 1 7   27 10 o 80.58647 10.01861 101.0939       21.19557 112.7455      32.36520 92.34423       28.04662 84.98163 14.14392 76.19131 14.19296 8.790314       20.03723 
1 1 1 7   27 11 o 36.11822 11.31184 2.553586       21.69276 23.74706      34.12565 -11.81726      28.10094 41.93980 17.68109 30.29664 14.11417 11.64316       22.62368 
1 1 1 7   29 0  o 77.36673 11.71950 105.6282       24.25510 139.4054      30.28203 45.17186       40.51295 99.12079 11.34585 55.61267 20.50997 43.50812       23.43900 
1 1 1 7   29 1  o 101.1725 10.17650 161.1897       24.51473 185.2712      30.85821 119.9882       40.36317 114.8472 9.978536 87.49773 17.73905 27.34950       20.35301 
1 1 1 7   29 2  o 122.7598 7.636675 212.3204       24.30873 208.3301      30.44385 219.3400       40.37832 122.0046 9.267019 123.5150 12.14074 -1.510429      15.27335 
1 1 1 7   29 3  o 48.15309 12.43061 33.41797       21.51187 42.58182      26.64423 16.25998       36.45838 52.35500 16.73272 43.95118 18.38740 8.403828       24.86122 
1 1 1 7   29 4  o 159.9965 6.349629 364.3880       26.53716 379.4476      34.14368 341.4116       42.17411 165.1561 7.677724 154.8369 10.11552 10.31917       12.69926 
1 1 1 7   29 5  o 62.42043 13.04545 55.97654       23.86602 29.87945      29.19814 108.5118       41.42712 45.61338 17.28837 79.22747 19.54090 -33.61409      26.09089 
1 1 1 7   29 6  o 80.50153 12.10740 113.7773       23.74015 122.1508      28.27847 93.78685       43.69307 90.73373 11.57454 70.26933 21.26938 20.46441       24.21480 
1 1 1 7   29 7  o 141.6970 7.197195 296.8606       26.72739 296.4080      34.22290 297.5684       42.79420 143.0803 8.882876 140.3137 11.32665 2.766586       14.39439 
1 1 1 7   29 8  o 50.53360 11.77776 44.54615       23.79195 78.68599      30.27834 -10.55498      38.46639 66.08088 16.93801 34.98633 16.36967 31.09455       23.55552 
1 1 1 7   31 0  o 56.28310 12.38369 60.35674       23.84599 82.62495      29.95907 21.85922       39.39145 69.33635 16.31817 43.22986 18.63169 26.10649       24.76737 
1 1 1 7   31 1  o 41.24858 12.28178 21.11109       22.51048 17.37139      28.24106 27.62675       37.27705 38.59155 16.16713 43.90562 18.49303 -5.314064      24.56355 
1 1 1 7   31 2  o 96.48988 9.769053 152.8090       22.98691 160.7158      28.67344 138.5872       38.45547 103.8173 10.25715 89.16248 16.62914 14.65481       19.53811 
1 1 1 7   31 3  f 80.22652 11.85983 114.4872       24.71071 120.2914      31.95068 105.8476       38.98103 86.42752 13.72918 74.02551 19.34250 12.40201       23.71967 
1 1 1 8   0  0  o 83.20924 3.978844 94.51610       8.798279 103.0111      12.57267 86.36369       12.31657 86.96528 5.417234 79.45319 5.829097 -0.000000      0.000000 
1 1 1 8   0  1  o 1037.271 15.54659 14508.50       433.4865 14201.22      599.8726 14844.32       627.1196 1025.799 21.73971 1048.743 22.22996 -0.000000      0.000000 
1 1 1 8   0  2  o 1807.166 27.06111 44182.04       1315.241 43683.44      1838.642 44704.53       1882.186 1796.768 38.04183 1817.565 38.49720 -0.000000      0.000000 
1 1 1 8   0  3  o 122.8004 4.085557 204.7758       13.41227 212.4468      18.61548 196.4952       19.34094 125.2448 5.544631 120.3561 6.002012 -0.000000      0.000000 
1 1 1 8   0  4  o 1114.763 16.72497 16774.07       501.4574 16938.77      716.1182 16615.62       702.4160 1120.123 23.76715 1109.402 23.53766 -0.000000      0.000000 
1 1 1 8   0  5  o 1820.919 27.31225 44919.23       1337.794 44987.93      1894.513 44850.89       1889.350 1822.303 38.64870 1819.535 38.60201 -0.000000      0.000000 
1 1 1 8   0  6  o 1209.858 18.18003 19795.63       591.6451 19720.47      833.6368 19871.91       839.8224 1207.551 25.66440 1212.165 25.75640 -0.000000      0.000000 
1 1 1 8   0  7  o 508.4669 7.935442 3489.828       108.5232 3471.013      152.6693 3509.046       154.2937 507.0831 11.19353 509.8508 11.25121 -0.000000      0.000000 
1 1 1 8   0  8  o 86.76371 7.066069 105.2289       15.79683 120.9997      22.97789 91.09514       21.75260 93.35925 9.355995 80.16817 10.59163 -0.000000      0.000000 
1 1 1 8   0  9  o 93.78012 7.123417 122.8098       17.46465 126.2988      24.53301 119.2249       24.86788 95.26516 9.801562 92.29509 10.33933 -0.000000      0.000000 
1 1 1 8   0  10 o 95.98965 7.576307 128.9625       18.94590 132.2822      27.37877 125.9122       26.24433 97.18465 10.80396 94.79466 10.62432 -0.000000      0.000000 
1 1 1 8   0  11 o 35.34230 13.68704 23.76870       18.81194 18.11979      29.59946 27.59661       24.36593 33.48396 19.60355 37.20065 19.10604 -0.000000      0.000000 
1 1 1 8   0  12 o 159.2834 6.004491 349.7455       25.21296 304.2314      37.16053 388.5708       34.32147 149.3017 9.326866 169.2652 7.564736 -0.000000      0.000000 
1 1 1 8   0  13 o 174.6183 6.130675 415.8014       28.12481 405.5976      43.91920 422.8945       36.61792 172.6230 9.514788 176.6136 7.733663 -0.000000      0.000000 
1 1 1 8   0  14 o 449.2065 7.522482 2726.383       90.83888 2732.654      130.3589 2720.464       126.6524 449.6878 10.77979 448.7253 10.49510 -0.000000      0.000000 
1 1 1 8   0  15 o 492.7303 8.243631 3282.442       109.2179 3211.715      154.2792 3353.497       154.6363 487.3805 11.77141 498.0801 11.54399 -0.000000      0.000000 
1 1 1 8   0  16 o 89.04422 15.91727 144.3612       31.67640 86.19742      53.02340 176.6391       39.49969 66.27679 28.75225 111.8116 13.66549 -0.000000      0.000000 
1 1 1 8   0  17 o 283.9618 7.004008 1077.742       52.18552 1168.728      84.59698 1021.851       66.30409 293.3334 10.74320 274.5903 8.989335 -0.000000      0.000000 
1 1 1 8   0  18 o 196.3355 9.988625 521.7349       47.87056 558.8540      88.21540 506.2420       56.99179 200.3167 16.61787 192.3543 11.08770 -0.000000      0.000000 
1 1 1 8   0  19 o 57.73233 23.54196 74.40780       50.03364 107.4328      113.5303 66.44752       55.73841 62.64024 37.56102 52.82441 28.39128 -0.000000      0.000000 
1 1 1 8   0  20 o 38.52923 19.03572 -24.12503      57.21176 -72.48991     138.1706 -14.11694      62.85302 42.98717 30.28012 34.07129 23.07703 -0.000000      0.000000 
1 1 1 8   0  21 o 58.24070 22.63461 78.07433       51.43489 -18.59242     141.5224 92.78616       55.21031 50.78450 34.46183 65.69689 29.35446 -0.000000      0.000000 
1 1 1 8   0  22 f 51.57452 21.93379 55.61617       48.21540 72.46812      102.3475 50.80945       54.66087 55.73477 34.47713 47.41427 27.12365 -0.000000      0.000000 
1 1 1 8   0  23 o 44.59866 19.92143 42.31402       52.04748 -5.778760     100.9182 59.74156       60.75021 41.15351 28.24114 48.04380 28.10500 -0.000000      0.000000 
1 1 1 8   0  24 o 31.15918 15.30769 -17.83816      44.75508 -10.40869     67.03146 -23.81413      60.11790 32.66572 22.56693 29.65264 20.68901 -0.000000      0.000000 
1 1 1 8   2  0  o 775.9918 8.225677 8111.041       171.8530 8192.767      245.4126 8032.403       240.7287 779.8243 11.68736 772.1592 11.57811 7.665100       16.45135 
1 1 1 8   2  1  o 1241.122 13.10788 20768.94       437.9953 20980.96      625.7599 20565.30       613.2668 1247.320 18.63144 1234.923 18.44277 12.39661       26.21577 
1 1 1 8   2  2  o 902.7341 9.565101 10978.93       232.4687 11097.28      332.3286 10865.53       325.3047 907.4929 13.60007 897.9754 13.45372 9.517456       19.13020 
1 1 1 8   2  3  o 800.7107 8.511506 8639.635       183.5123 8650.487      259.7294 8628.816       259.3221 801.2127 12.03899 800.2087 12.03519 1.004028       17.02301 
1 1 1 8   2  4  o 2259.905 23.92378 69123.51       1455.246 67975.30      2024.397 70351.32       2093.394 2240.602 33.55426 2279.209 34.11014 -38.60718      47.84757 
1 1 1 8   2  5  o 1328.374 14.05877 23817.96       502.8063 23611.61      704.6614 24032.00       717.6679 1322.531 19.78752 1334.218 19.97622 -11.68726      28.11753 
1 1 1 8   2  6  o 1059.545 11.24905 15154.54       320.9268 15083.99      451.7827 15226.40       455.9641 1057.062 15.87252 1062.027 15.94453 -4.965210      22.49811 
1 1 1 8   2  7  o 540.1343 5.909463 3933.575       85.94742 3938.435      121.6386 3928.729       121.4576 540.4674 8.358312 539.8012 8.356174 0.6661987      11.81893 
1 1 1 8   2  8  o 224.2641 3.320189 677.3890       20.04400 667.7857      27.95004 687.5571       28.76033 222.6294 4.662474 225.8988 4.728209 -3.269348      6.640378 
1 1 1 8   2  9  o 106.5417 4.332695 153.4429       12.40118 163.2581      17.39130 143.2896       17.68830 110.0236 5.870333 103.0597 6.374024 6.963898       8.665391 
1 1 1 8   2  10 o 117.0935 4.431025 184.1719       13.92186 164.1050      19.01999 207.3306       20.43280 110.2499 6.406908 123.9372 6.122701 -13.68724      8.862050 
1 1 1 8   2  11 o 301.5063 4.017929 1226.295       32.61073 1219.858      45.52991 1233.077       46.73059 300.7004 5.623147 302.3123 5.740664 -1.611877      8.035857 
1 1 1 8   2  12 o 339.5827 4.349304 1554.395       39.75750 1592.190      57.07775 1518.776       55.41050 343.5882 6.169433 335.5771 6.132200 8.011047       8.698608 
1 1 1 8   2  13 o 203.9384 4.248546 561.2848       23.30845 585.6033      32.82385 536.5491       33.10418 208.4062 5.849189 199.4706 6.163404 8.935577       8.497091 
1 1 1 8   2  14 o 148.8129 5.301126 299.7556       21.12992 310.4446      28.76241 287.2234       31.14390 151.7217 7.040350 145.9040 7.927247 5.817688       10.60225 
1 1 1 8   2  15 o 357.7122 4.798639 1725.265       46.19334 1715.153      64.14911 1736.154       66.57278 356.6332 6.680139 358.7913 6.890828 -2.158081      9.597279 
1 1 1 8   2  16 o 488.1115 5.878594 3220.293       77.24381 3312.409      110.6438 3132.710       107.8869 494.9203 8.302491 481.3026 8.324669 13.61768       11.75719 
1 1 1 8   2  17 o 247.8578 4.958757 826.8235       32.94447 793.7949      44.18354 868.1772       49.43925 242.3435 6.770890 253.3720 7.246526 -11.02852      9.917515 
1 1 1 8   2  18 o 237.7041 6.188960 762.9519       39.36782 733.6536      52.41673 800.8643       59.62649 232.5775 8.369872 242.8307 9.119107 -10.25313      12.37792 
1 1 1 8   2  19 o 78.60604 16.27195 100.9916       37.29871 117.4276      49.87015 80.12564       56.19028 85.97065 21.57682 71.24143 24.36281 14.72922       32.54390 
1 1 1 8   2  20 o 291.3261 7.200731 1187.063       56.15961 1169.075      75.26851 1209.653       84.34814 289.4143 9.658504 293.2378 10.68248 -3.823486      14.40146 
1 1 1 8   2  21 o 94.04704 15.72584 140.7464       39.21356 125.9884      53.72973 157.5665       57.36089 88.50267 22.49759 99.59140 21.97879 -11.08873      31.45169 
1 1 1 8   2  22 o 66.03973 15.74869 64.86275       35.83336 24.63500      47.77084 116.6187       54.18514 50.38281 21.06026 81.69665 23.42115 -31.31384      31.49738 
1 1 1 8   2  23 o 46.02566 14.41252 14.15352       35.07792 6.369207      46.67560 24.25558       53.17222 43.27406 19.39166 48.77726 21.32714 -5.503197      28.82505 
1 1 1 8   2  24 o 47.52910 13.75068 33.58212       29.91385 69.23017      43.40909 1.344756       41.28028 56.89177 21.18085 38.16643 17.54128 18.72535       27.50136 
1 1 1 8   4  0  f 2161.505 28.03620 63556.29       1544.481 63935.64      1902.888 62823.89       2644.016 2173.650 32.51173 2149.359 45.68480 24.29126       56.07240 
1 1 1 8   4  1  o 372.9015 4.117006 1871.346       41.31966 1837.798      57.38776 1907.460       59.54136 369.4338 5.768984 376.3692 5.875183 -6.935394      8.234012 
1 1 1 8   4  2  o 1124.185 11.89037 17040.41       359.9189 16972.72      506.7803 17109.29       511.2535 1121.936 16.77522 1126.433 16.85573 -4.496704      23.78074 
1 1 1 8   4  3  o 951.9363 10.08986 12211.16       258.5995 12324.96      369.0719 12101.40       362.4478 956.2882 14.33306 947.5844 14.20510 8.703796       20.17972 
1 1 1 8   4  4  o 148.3975 3.862369 296.5147       15.43347 296.5147      15.43347 0.000000       0.000000 148.3975 3.862369 ?        ?        ?              ?        
1 1 1 8   4  5  o 1291.035 13.67296 22507.46       475.2786 22333.56      666.9897 22686.85       677.4224 1285.985 19.26193 1296.086 19.41075 -10.10071      27.34592 
1 1 1 8   4  6  o 952.9636 10.14404 12258.84       260.2397 12112.70      363.4499 12412.61       372.7973 947.1550 14.25083 958.7722 14.44022 -11.61725      20.28808 
1 1 1 8   4  7  o 517.9954 5.698901 3619.308       79.48648 3611.988      112.0439 3626.725       112.7814 517.4703 8.041174 518.5204 8.077710 -1.050171      11.39780 
1 1 1 8   4  8  o 252.2617 3.508936 855.5377       23.77506 829.4828      32.30582 886.3221       35.11567 248.0890 4.836041 256.4344 5.085590 -8.345459      7.017871 
1 1 1 8   4  9  o 129.2691 4.259778 223.2025       14.68094 210.6648      19.23718 240.6885       22.71832 124.9776 5.716443 133.5606 6.317051 -8.583015      8.519557 
1 1 1 8   4  10 o 239.6815 3.786354 772.2346       24.29161 752.5961      32.44632 797.2806       36.64214 236.2449 5.100581 243.1181 5.597320 -6.873215      7.572708 
1 1 1 8   4  11 o 349.7985 4.436132 1650.559       41.71574 1646.675      57.35164 1654.922       60.78818 349.3819 6.096241 350.2151 6.446157 -0.8332214     8.872265 
1 1 1 8   4  12 o 175.2179 4.315568 413.9371       20.17479 413.5175      26.77608 414.4883       30.68456 175.1339 5.677971 175.3018 6.500550 -0.1678925     8.631136 
1 1 1 8   4  13 o 153.7668 4.852988 316.4846       19.81477 304.9737      25.74769 333.2036       31.03053 150.3846 6.358453 157.1489 7.333216 -6.764267      9.705976 
1 1 1 8   4  14 o 197.9065 4.702871 527.2220       24.47025 523.9875      31.33801 532.2753       39.16993 197.1620 5.902893 198.6509 7.322829 -1.488907      9.405742 
1 1 1 8   4  15 o 111.9876 7.298526 163.4789       21.54561 140.9212      27.27396 200.9234       35.13949 102.1010 9.920531 121.8742 10.70780 -19.77325      14.59705 
1 1 1 8   4  16 o 221.4874 6.572222 662.5056       39.19627 662.5056      39.19627 0.000000       0.000000 221.4874 6.572222 ?        ?        ?              ?        
1 1 1 8   4  17 o 98.30470 10.87750 147.9633       25.61175 207.5893      34.69961 76.60354       37.96062 123.6131 10.42501 72.99627 19.09447 50.61685       21.75499 
1 1 1 8   4  18 o 175.2782 7.362359 420.1368       34.04839 427.7369      44.19607 409.0401       53.40355 177.4451 9.249884 173.1113 11.45674 4.333755       14.72472 
1 1 1 8   4  19 o 161.1217 10.65778 352.3393       46.02399 326.7355      61.56655 384.7714       69.29161 154.5869 14.79070 167.6566 15.34888 -13.06966      21.31556 
1 1 1 8   4  20 o 87.73383 15.96400 113.4376       40.20930 60.41057      53.58171 181.7939       60.83556 65.96838 23.69447 109.4993 21.40022 -43.53088      31.92800 
1 1 1 8   4  21 o 70.80772 16.61801 76.71938       37.85006 53.02943      52.06870 103.2648       55.11747 61.86860 23.16516 79.74685 23.83292 -17.87825      33.23602 
1 1 1 8   4  22 f 53.81917 15.29980 37.05414       34.65838 51.22670      45.89401 18.24413       52.87207 57.70060 21.72007 49.93774 21.55400 7.762859       30.59961 
1 1 1 8   4  23 o 87.47148 14.80010 143.3121       34.59665 159.0423      46.43320 123.6816       51.87134 96.00414 18.63404 78.93884 22.99879 17.06530       29.60020 
1 1 1 8   6  0  o 1328.324 17.17151 23937.18       583.6261 24198.39      722.8549 23448.05       989.1673 1339.376 20.04312 1317.273 27.88756 22.10278       34.34301 
1 1 1 8   6  1  o 781.9325 8.312803 8238.844       175.0237 8223.093      246.9441 8254.742       248.1016 781.1826 11.73986 782.6824 11.77228 -1.499878      16.62561 
1 1 1 8   6  2  o 1726.531 18.26274 40263.83       848.9802 40020.00      1192.820 40514.16       1208.614 1721.254 25.73633 1731.808 25.91819 -10.55396      36.52549 
1 1 1 8   6  3  o 1281.154 13.55853 22137.88       467.5482 21777.87      650.3126 22523.08       672.6805 1270.403 19.01066 1291.906 19.33725 -21.50244      27.11705 
1 1 1 8   6  4  o 559.0590 6.050818 4209.538       91.06950 4169.196      127.3318 4251.783       130.3031 556.3196 8.500200 561.7983 8.613721 -5.478638      12.10164 
1 1 1 8   6  5  o 1392.985 14.78197 26267.39       554.4042 26075.39      778.0840 26465.39       790.1469 1387.846 20.82101 1398.124 20.98837 -10.27808      29.56393 
1 1 1 8   6  6  o 869.6925 9.305794 10224.44       217.8848 10130.65      304.7831 10322.48       311.6012 865.6375 13.07590 873.7476 13.24432 -8.110107      18.61159 
1 1 1 8   6  7  o 537.4967 5.935676 3893.232       85.78138 3794.576      117.6044 4005.395       125.3966 530.2563 8.236721 544.7370 8.549002 -14.48065      11.87135 
1 1 1 8   6  8  o 531.7609 5.919572 3820.499       84.75471 3829.442      119.2864 3811.381       120.4446 532.4006 8.320871 531.1212 8.421903 1.279419       11.83914 
1 1 1 8   6  9  o 348.7051 4.365281 1640.964       40.91689 1634.775      56.18702 1647.953       59.70338 348.0309 5.995629 349.3792 6.346270 -1.348267      8.730561 
1 1 1 8   6  10 o 357.4107 4.512366 1722.930       43.32101 1701.372      59.07081 1748.018       63.72376 355.0248 6.179180 359.7966 6.577501 -4.771820      9.024732 
1 1 1 8   6  11 o 88.79924 7.335800 108.3175       16.55580 111.7745      20.48014 101.7981       28.12473 90.95743 8.362022 86.64106 12.05539 4.316368       14.67160 
1 1 1 8   6  12 o 109.8097 6.588260 168.5434       18.32704 181.7138      22.91473 145.1629       30.53103 116.0445 7.333427 103.5749 10.94722 12.46960       13.17652 
1 1 1 8   6  13 o 225.9863 4.515224 691.0371       27.16661 706.1164      36.04756 671.2137       41.33085 228.8761 5.849140 223.0964 6.880157 5.779663       9.030448 
1 1 1 8   6  14 o 182.6994 5.035273 453.0523       24.17049 463.7724      31.15997 436.8581       38.29814 185.4687 6.239404 179.9301 7.904792 5.538559       10.07055 
1 1 1 8   6  15 o 314.1688 4.826211 1334.099       40.36616 1342.057      53.32201 1323.416       61.78010 315.3372 6.279831 313.0003 7.330279 2.336945       9.652423 
1 1 1 8   6  16 o 253.3915 5.094984 866.7280       33.89996 862.1039      43.32911 874.0255       54.43175 252.6366 6.369423 254.1465 7.953987 -1.509872      10.18997 
1 1 1 8   6  17 o 128.0063 8.572487 223.4962       28.89983 223.8340      37.21601 222.9830       45.86806 128.2972 10.77281 127.7154 13.33779 0.5818863      17.14497 
1 1 1 8   6  18 o 123.4031 10.70611 199.2836       34.60489 151.7898      43.85704 277.6284       56.32820 104.8400 15.53564 141.9663 14.73524 -37.12631      21.41223 
1 1 1 8   6  19 o 129.6394 14.96501 241.9271       49.03489 261.9532      63.28575 211.8452       77.56412 138.1976 17.00678 121.0812 24.62876 17.11638       29.93003 
1 1 1 8   6  20 o 111.7399 13.73288 189.3126       39.60565 191.4520      51.73692 186.2842       61.55567 114.5653 16.77120 108.9145 21.75075 5.650795       27.46577 
1 1 1 8   6  21 o 47.43928 14.55689 3.516734       35.97878 28.68298      47.24091 -31.24208      55.51898 52.27664 21.30313 42.60192 19.84411 9.674721       29.11378 
1 1 1 8   6  22 o 63.18520 16.13325 69.65568       35.05288 70.50849      46.28555 68.50879       53.67593 63.61425 22.09402 62.75616 23.51556 0.8580818      32.26651 
1 1 1 8   6  23 o 90.42775 13.78323 152.3242       33.33434 181.8439      46.31119 120.5873       48.01891 103.9342 16.54794 76.92127 22.04713 27.01295       27.56647 
1 1 1 8   8  0  o 925.7079 12.10964 11516.30       284.3719 11441.88      347.4966 11667.18       494.7937 921.4210 14.00584 929.9948 19.75879 -8.573853      24.21927 
1 1 1 8   8  1  o 133.7446 3.517290 232.4075       10.01826 227.2999      11.10123 254.8210       23.25491 129.9301 3.173057 137.5591 6.278298 -7.629013      7.034580 
1 1 1 8   8  2  o 533.7643 8.147166 3837.613       117.0953 3837.613      117.0953 0.000000       0.000000 533.7643 8.147166 ?        ?        ?              ?        
1 1 1 8   8  3  o 1840.724 19.57172 45936.30       969.8731 45442.42      1355.578 46454.25       1388.220 1830.675 27.49983 1850.773 27.85620 -20.09814      39.14343 
1 1 1 8   8  4  o 691.2950 7.426899 6443.467       138.2324 6519.823      197.2255 6369.740       193.7999 695.3165 10.53409 687.2736 10.47226 8.042847       14.85380 
1 1 1 8   8  5  o 391.9440 4.514207 2070.809       47.62862 2080.560      66.66305 2060.642       68.07316 392.8923 6.301272 390.9957 6.465775 1.896637       9.028415 
1 1 1 8   8  6  o 327.9412 4.051998 1450.804       35.74058 1478.498      49.67617 1421.084       51.46069 331.1990 5.570263 324.6833 5.886163 6.515717       8.103995 
1 1 1 8   8  7  o 425.5245 4.964728 2444.407       56.85448 2463.188      79.27598 2424.517       81.58236 427.2271 6.891273 423.8221 7.148737 3.404999       9.929456 
1 1 1 8   8  8  o 134.5265 4.708790 249.4305       15.50523 256.9856      18.57461 232.0666       28.15940 138.0431 4.997143 131.0099 7.982441 7.033127       9.417580 
1 1 1 8   8  9  o 225.9579 4.126266 692.4810       24.42188 704.6120      31.26575 673.4965       39.11271 228.5716 5.079995 223.3443 6.503687 5.227264       8.252532 
1 1 1 8   8  10 o 373.7764 4.808819 1888.875       48.26584 1939.963      66.39918 1831.636       70.28267 379.1832 6.503247 368.3697 7.085670 10.81348       9.617638 
1 1 1 8   8  11 o 132.6399 6.075192 256.1902       19.76362 295.3495      24.67175 186.0573       33.01749 147.9930 6.191211 117.2868 10.45470 30.70618       12.15038 
1 1 1 8   8  12 o 143.9005 5.820694 280.0474       21.09711 281.0459      25.67168 277.9700       37.02750 144.3621 6.604162 143.4389 9.586813 0.9232178      11.64139 
1 1 1 8   8  13 o 102.8776 7.808404 148.3542       20.45900 162.1628      25.84819 125.1936       33.47563 109.6029 8.758395 96.15224 12.92962 13.45070       15.61681 
1 1 1 8   8  14 o 175.3354 5.679755 422.3169       25.53993 440.6939      32.00471 390.0946       42.37934 180.7579 6.575566 169.9128 9.262851 10.84511       11.35951 
1 1 1 8   8  15 o 49.03385 12.77130 19.20799       21.97111 5.041985      26.98591 47.06171       37.84033 38.24401 15.89407 59.82369 19.99508 -21.57968      25.54260 
1 1 1 8   8  16 o 351.6432 7.014065 1671.727       66.41335 1671.727      66.41335 0.000000       0.000000 351.6432 7.014065 ?        ?        ?              ?        
1 1 1 8   8  17 o 178.6805 8.586808 445.9647       38.80367 466.2459      47.99351 407.6798       65.93996 185.1855 9.624810 172.1756 14.22309 13.00995       17.17362 
1 1 1 8   8  18 o 128.0151 14.69875 251.4642       45.57656 269.2090      56.32462 217.8095       77.56848 138.1226 15.14433 117.9077 25.19646 20.21494       29.39749 
1 1 1 8   8  19 o 82.09068 18.32784 117.2881       44.67007 109.1534      57.68695 129.4709       70.59629 79.60162 24.50748 84.57974 27.25843 -4.978127      36.65567 
1 1 1 8   8  20 o 75.31052 17.31377 89.80969       43.78085 134.0259      60.17157 40.06836       63.82035 90.15858 24.25493 60.46247 24.71366 29.69612       34.62754 
1 1 1 8   8  21 o 54.67365 16.02258 27.00544       38.06400 5.609713      48.23210 62.33392       61.97766 45.97723 20.20206 63.37007 24.87506 -17.39284      32.04516 
1 1 1 8   8  22 o 95.45289 14.93912 172.6709       37.93679 205.0953      48.34654 120.7160       61.19875 114.3923 15.69586 76.51348 25.42340 37.87881       29.87824 
1 1 1 8   8  23 f 74.25409 17.63481 126.4951       39.56605 104.9639      48.02606 171.9812       69.80424 68.71454 22.50684 79.79365 27.15489 -11.07911      35.26962 
1 1 1 8   10 0  o 681.1121 10.36304 6257.129       190.0560 6259.014      269.5829 6255.266       267.9838 681.2106 14.69696 681.0136 14.61401 0.1969604      20.72607 
1 1 1 8   10 1  o 344.9759 4.956307 1614.667       43.93005 1642.735      54.75294 1563.951       73.59975 349.2427 5.822328 340.7090 8.022494 8.533752       9.912614 
1 1 1 8   10 2  o 620.0320 7.737350 5213.291       112.4677 5242.700      130.4185 5127.971       222.1381 623.7394 7.765198 616.3245 13.38537 7.414978       15.47470 
1 1 1 8   10 3  o 242.2020 4.080038 786.9011       24.14129 782.1124      28.60316 798.7603       45.01192 240.9667 4.408325 243.4373 6.866842 -2.470551      8.160076 
1 1 1 8   10 4  o 501.8707 6.843057 3404.637       86.75960 3411.594      105.8248 3390.375       151.5214 502.9080 7.814755 500.8335 11.23563 2.074463       13.68611 
1 1 1 8   10 5  o 224.4837 4.377581 710.1859       24.20837 763.6648      29.52570 600.4951       42.28575 238.0461 4.606337 210.9214 7.445436 27.12477       8.755161 
1 1 1 8   10 6  o 149.1761 4.739109 286.9461       16.26579 275.4309      18.49270 326.3061       34.18953 142.9440 4.804532 155.4082 8.170257 -12.46423      9.478218 
1 1 1 8   10 7  o 264.7057 4.375527 954.2330       29.85168 975.9677      37.40568 916.1113       49.53911 268.9977 5.164229 260.4136 7.064821 8.584167       8.751055 
1 1 1 8   10 8  o 496.3640 6.994586 3361.979       87.84782 3407.097      107.6567 3272.072       151.9720 501.9637 7.964993 490.7643 11.50025 11.19943       13.98917 
1 1 1 8   10 9  o 224.8291 4.836177 696.0447       26.94353 719.2047      32.59728 646.0991       47.86967 230.9637 5.241485 218.6945 8.129039 12.26918       9.672355 
1 1 1 8   10 10 o 178.1001 5.319085 417.7992       22.48209 406.8352      26.04295 449.8708       44.54169 173.7197 5.567468 182.4804 9.064984 -8.760757      10.63817 
1 1 1 8   10 11 o 265.3174 4.855046 943.5405       32.70601 931.8862      39.94569 967.2420       56.96585 262.9267 5.642243 267.7081 7.902593 -4.781403      9.710093 
1 1 1 8   10 12 o 137.4388 6.629045 247.8089       22.36275 238.0286      26.38608 272.7461       42.13323 132.8412 7.376644 142.0365 11.01645 -9.195313      13.25809 
1 1 1 8   10 13 o 543.1516 6.798858 3954.957       97.24026 3844.564      124.2854 4129.187       156.1384 533.6325 8.649568 552.6708 10.49204 -19.03827      13.59772 
1 1 1 8   10 14 o 97.97038 10.81593 153.5312       23.94592 187.7051      29.50291 87.55598       40.99279 117.7503 9.305063 78.19045 19.52826 39.55987       21.63186 
1 1 1 8   10 15 o 236.2893 5.743958 723.7062       33.92051 674.3760      40.36957 842.1766       62.56087 223.3836 6.711496 249.1951 9.323522 -25.81142      11.48792 
1 1 1 8   10 16 o 259.8406 6.650883 920.3085       43.75727 926.9435      53.57820 907.0187       75.82748 261.6430 7.604936 258.0381 10.91338 3.604858       13.30177 
1 1 1 8   10 17 o 300.9796 11.78238 1247.707       95.48898 0.000000      0.000000 1247.707       95.48898 ?        ?        300.9796 11.78238 ?              ?        
1 1 1 8   10 18 o 88.07013 18.17444 115.3574       53.08614 178.7545      67.21329 10.23062       86.55205 110.6629 23.29333 65.47739 27.90451 45.18546       36.34887 
1 1 1 8   10 19 o 90.06898 17.41135 137.8116       44.02721 156.4416      57.43583 111.2678       68.55801 98.99232 22.10622 81.14564 26.90604 17.84668       34.82269 
1 1 1 8   10 20 o 197.1917 10.51605 545.5718       55.83734 545.5718      55.83734 0.000000       0.000000 197.1917 10.51605 ?        ?        ?              ?        
1 1 1 8   10 21 o 81.41579 13.58188 104.1028       29.85426 162.7298      47.59138 66.06367       38.33492 100.3107 18.29372 62.52087 20.08007 37.78983       27.16376 
1 1 1 8   10 22 o 54.51630 16.17649 51.00066       37.26971 35.07821      44.66259 87.51411       67.63406 47.98594 20.22859 61.04665 25.24913 -13.06072      32.35297 
1 1 1 8   12 0  o 271.0871 4.301607 989.4478       29.12364 987.9710      35.12892 992.6940       52.08331 270.8115 4.817418 271.3627 7.127957 -0.5512085     8.603213 
1 1 1 8   12 1  o 332.3704 4.989260 1471.058       41.30296 1441.810      49.49083 1538.174       74.97083 327.0886 5.619220 337.6523 8.245923 -10.56372      9.978520 
1 1 1 8   12 2  o 252.2330 4.334803 846.0225       27.14043 828.2227      32.42305 887.6921       49.60846 247.9229 4.856842 256.5432 7.181446 -8.620316      8.669606 
1 1 1 8   12 3  o 230.3626 4.088990 703.0825       19.33527 696.3972      21.25798 735.1056       46.52524 227.3660 3.472266 233.3592 7.404237 -5.993149      8.177980 
1 1 1 8   12 4  o 543.9671 6.964662 4002.304       87.48949 4000.790      100.5692 4007.016       177.4086 544.4590 6.859881 543.4752 12.12304 0.9837646      13.92932 
1 1 1 8   12 5  f 199.2204 4.234570 509.0476       18.44543 491.3407      20.56571 581.8823       41.71012 190.9336 4.000165 207.5071 7.464917 -16.57353      8.469139 
1 1 1 8   12 6  o 43.14778 8.629700 30.51072       9.522054 35.20132      10.05973 -9.883033      29.52087 51.04946 7.318329 35.24611 15.63102 15.80335       17.25940 
1 1 1 8   12 7  o 310.7424 4.875121 1307.906       33.72765 1311.379      38.19090 1295.597       71.89529 311.9154 4.547153 309.5694 8.624999 2.346069       9.750241 
1 1 1 8   12 8  o 213.9167 4.924618 645.1469       21.93546 662.2817      24.44287 574.2490       49.71975 221.7027 4.094472 206.1307 8.957831 15.57195       9.849236 
1 1 1 8   12 9  o 179.0313 4.897856 411.5889       18.28879 400.2049      20.11483 465.8874       43.92995 172.3426 4.334513 185.7200 8.784531 -13.37746      9.795712 
1 1 1 8   12 10 o 395.1134 5.689821 2047.250       49.43800 2005.283      55.40903 2211.094       109.4810 385.7291 5.334758 404.4977 10.05170 -18.76855      11.37964 
1 1 1 8   12 11 o 176.5409 5.147016 399.6708       19.72431 386.3146      21.94168 455.9139       45.02588 169.3246 4.812450 183.7571 9.099858 -14.43250      10.29403 
1 1 1 8   12 12 o 139.2327 7.750593 275.0335       26.48783 297.2680      32.28479 229.2462       46.32943 148.4085 8.078964 130.0569 13.22940 18.35165       15.50119 
1 1 1 8   12 13 o 233.8532 5.839101 720.5439       33.66729 693.9515      39.87925 786.5195       62.81453 226.7243 6.532291 240.9821 9.680371 -14.25778      11.67820 
1 1 1 8   12 14 o 47.58303 13.76400 8.275844       26.34747 -0.9893972    31.70272 28.96539       47.37440 39.11834 16.78493 56.04771 21.81873 -16.92937      27.52800 
1 1 1 8   12 15 o 152.2377 9.301465 316.1446       36.58641 313.9006      45.66037 320.1694       61.15068 151.8197 11.16935 152.6557 14.87664 -0.8359985     18.60293 
1 1 1 8   12 16 o 119.6216 14.06296 202.5036       40.87681 200.1207      49.32610 207.7277       73.03538 120.4048 15.21422 118.8385 23.65576 1.566238       28.12593 
1 1 1 8   12 17 o 238.3400 10.41379 797.5907       63.75047 864.1151      81.10510 690.0441       103.1232 252.2570 11.94047 224.4231 17.06496 27.83391       20.82758 
1 1 1 8   12 18 o 43.12746 14.59996 -77.39864      44.21992 -101.7393     54.47079 -30.35175      75.72920 34.28524 16.86308 51.96969 23.83845 -17.68445      29.19992 
1 1 1 8   12 19 o 101.9654 15.23688 163.1744       39.93034 165.6452      50.28883 158.9589       65.68661 105.9585 17.62595 97.97238 24.85912 7.986092       30.47376 
1 1 1 8   12 20 o 53.85493 16.11319 22.68400       37.73969 4.422511      45.44159 63.28249       67.75484 44.32311 19.53758 63.38676 25.62854 -19.06365      32.22638 
1 1 1 8   12 21 f 55.61506 16.43472 46.27165       38.02943 30.47497      45.36520 83.61570       69.75102 48.31828 20.37887 62.91183 25.78957 -14.59355      32.86944 
1 1 1 8   12 22 o 40.96352 13.59886 0.7468171      36.61547 11.05831      42.94222 -26.71871      70.08381 40.58769 18.35723 41.33934 20.06809 -0.7516479     27.19772 
1 1 1 8   14 0  o 305.3226 3.647613 1256.307       29.97557 1270.707      43.12116 1242.842       41.69835 307.0106 5.216194 303.6347 5.100163 3.375824       7.295227 
1 1 1 8   14 1  o 222.2137 3.004254 665.3106       17.97388 674.0969      25.65530 656.8408       25.18894 223.6537 4.260079 220.7737 4.237203 2.880051       6.008507 
1 1 1 8   14 2  o 223.6720 3.003818 674.0068       18.06539 680.0731      26.31374 668.5983       24.84603 224.6173 4.350667 222.7267 4.142870 1.890686       6.007636 
1 1 1 8   14 3  o 295.7787 4.730616 1192.673       34.62589 1210.861      41.64320 1151.931       62.32827 299.6394 5.161333 291.9180 7.929410 7.721436       9.461231 
1 1 1 8   14 4  o 211.1997 4.422480 603.2476       21.87897 604.4629      25.33822 599.6860       43.37721 211.7521 4.443908 210.6474 7.647548 1.104782       8.844959 
1 1 1 8   14 5  o 72.25916 9.380085 80.69854       13.13066 85.10254      14.46134 60.01791       31.33765 79.40526 6.763568 65.11305 17.49852 14.29221       18.76017 
1 1 1 8   14 6  o 122.3545 6.155996 177.8947       12.12993 172.4648      12.69706 234.6364       41.04491 113.1322 4.168055 131.5768 11.58501 -18.44458      12.31199 
1 1 1 8   14 7  o 318.6071 4.983743 1352.004       35.76867 1337.812      40.55956 1401.659       75.86569 315.0734 4.780773 322.1407 8.746140 -7.067291      9.967485 
1 1 1 8   14 8  o 362.2529 5.340940 1792.407       44.78679 1813.569      51.69352 1728.707       89.68718 366.8136 5.233681 357.6922 9.311883 9.121368       10.68188 
1 1 1 8   14 9  o 114.5332 6.354068 150.8783       13.77967 141.6772      14.71340 216.5469       39.30719 102.5324 5.329282 126.5339 11.53670 -24.00150      12.70814 
1 1 1 8   14 10 o 357.7984 5.403757 1719.099       43.72146 1712.326      49.73625 1742.129       91.71702 356.4572 5.181820 359.1396 9.484255 -2.682465      10.80751 
1 1 1 8   14 11 o 296.1258 5.180959 1188.552       34.50248 1192.541      39.23215 1174.936       72.48389 297.4428 4.898411 294.8087 9.130987 2.634033       10.36192 
1 1 1 8   14 12 o 416.4763 6.051176 2305.618       56.69195 2272.444      64.20039 2423.080       120.8050 410.3591 5.810188 422.5935 10.61643 -12.23441      12.10235 
1 1 1 8   14 13 o 173.6580 6.248112 370.4672       22.55940 350.7362      24.66695 471.3560       55.77790 161.1826 5.683473 186.1333 11.12896 -24.95070      12.49622 
1 1 1 8   14 14 o 214.7451 7.789191 645.4160       43.29343 703.5809      55.73471 556.9285       68.74418 227.6811 9.091078 201.8091 12.65062 25.87204       15.57838 
1 1 1 8   14 15 o 76.97185 14.68851 84.74551       25.82944 86.67550      28.09850 74.22286       65.60965 79.43983 13.13595 74.50387 26.27654 4.935966       29.37702 
1 1 1 8   14 16 o 166.8254 14.01460 406.2863       58.72753 470.9210      75.07983 304.4059       94.26176 185.7650 15.00984 147.8857 23.67151 37.87935       28.02919 
1 1 1 8   14 17 o 68.88940 16.66765 18.63378       29.58546 -3.020298     31.69184 165.4791       82.52918 37.75748 16.48814 100.0213 28.97212 -62.26385      33.33530 
1 1 1 8   14 18 o 200.6929 8.658646 562.7938       35.85848 560.7945      39.63483 571.8115       84.17416 202.5012 7.268855 198.8845 15.71790 3.616669       17.31729 
1 1 1 8   14 19 o 72.53633 15.93972 75.93665       28.82309 64.53465      32.04789 124.1923       65.93004 63.50019 17.94705 81.57248 26.34771 -18.07229      31.87943 
1 1 1 8   14 20 o 31.18600 10.83103 -51.52097      28.26249 -31.94155     31.97454 -121.4637      60.43323 29.58677 14.15608 32.78524 16.39666 -3.198479      21.66207 
1 1 1 8   14 21 o 43.59632 13.31980 25.82122       28.78032 37.38403      32.64679 -14.50430      60.96754 46.31306 18.08938 40.87959 19.55614 5.433472       26.63959 
1 1 1 8   16 0  o 360.1046 4.191688 1749.812       40.64350 1749.519      57.67110 1750.101       57.28799 360.0719 5.948200 360.1373 5.907614 -0.6542969E-01 8.383375 
1 1 1 8   16 1  o 108.7818 4.511582 159.5352       13.21505 159.5352      13.21505 0.000000       0.000000 108.7818 4.511582 ?        ?        ?              ?        
1 1 1 8   16 2  f 257.2324 3.429173 887.3036       23.67509 836.3115      31.94835 949.4122       35.25924 249.0838 4.763427 265.3810 4.934234 -16.29715      6.858346 
1 1 1 8   16 3  o 358.9879 4.190314 1716.117       40.07512 1885.243      62.35097 1597.071       52.31130 373.8374 6.194084 344.1383 5.645197 29.69910       8.380628 
1 1 1 8   16 4  o 134.5949 3.021906 238.9969       10.75345 270.3505      17.28041 219.1821       13.73742 141.6419 4.530844 127.5480 3.999890 14.09387       6.043813 
1 1 1 8   16 5  o 498.8431 5.552346 3356.656       74.53092 3419.773      107.7473 3298.749       103.2047 503.3202 7.950210 494.3660 7.752957 8.954163       11.10469 
1 1 1 8   16 6  o 291.8488 5.109233 1159.786       36.84255 1176.391      44.24301 1122.224       66.54158 295.4126 5.562017 288.2850 8.572107 7.127533       10.21847 
1 1 1 8   16 7  o 453.8010 6.512252 2773.127       73.84572 2760.455      89.05328 2801.021       132.1254 452.3908 7.310596 455.2113 10.77928 -2.820465      13.02450 
1 1 1 8   16 8  o 561.8354 7.444499 4206.950       96.43305 4152.426      110.4178 4382.225       197.9745 554.8251 7.390936 568.8456 12.92503 -14.02051      14.88900 
1 1 1 8   16 9  o 232.4946 5.110958 693.2626       25.64304 670.6553      28.47419 790.2891       58.98912 223.0924 4.740053 241.8968 9.056458 -18.80440      10.22192 
1 1 1 8   16 10 o 584.2919 7.742538 4611.405       104.6559 4592.882      120.3118 4669.007       212.1640 583.0007 7.664008 585.5830 13.45550 -2.582336      15.48508 
1 1 1 8   16 11 o 285.4172 6.119537 1119.940       45.92379 1193.479      60.06993 1016.502       71.24194 297.0717 7.509523 273.7627 9.664471 23.30902       12.23907 
1 1 1 8   16 12 o 300.5150 5.649421 1238.491       37.88282 1251.683      43.02922 1193.026       79.88173 304.5656 5.246858 296.4644 10.00671 8.101105       11.29884 
1 1 1 8   16 13 o 89.76059 17.11921 118.2093       42.07196 110.6771      55.97704 127.9882       63.78145 86.67767 23.42617 92.84351 24.96965 -6.165833      34.23841 
1 1 1 8   16 14 o 365.3649 7.654279 1868.181       73.10153 1829.633      92.54950 1932.122       119.1973 362.2591 9.487927 368.4707 12.01379 -6.211548      15.30856 
1 1 1 8   16 15 o 126.1565 12.56814 185.6455       34.38044 165.5059      37.77731 282.7665       82.95868 110.1347 12.73865 142.1782 21.66932 -32.04354      25.13628 
1 1 1 8   16 16 o 129.2829 12.64287 235.0042       27.77147 231.2393      29.63595 262.1327       79.55273 129.8009 8.479258 128.7650 23.82166 1.035919       25.28575 
1 1 1 8   16 17 o 57.16432 15.07605 45.13549       27.33342 51.32492      29.58827 9.107140       71.38651 58.38651 17.46482 55.94212 24.57905 2.444389       30.15211 
1 1 1 8   16 18 o 172.6932 8.144218 402.4759       30.51198 386.3576      33.98827 469.4001       69.25655 167.1786 7.550315 178.2078 14.43281 -11.02922      16.28844 
1 1 1 8   16 19 o 39.35285 12.61497 1.352546       26.46709 13.30260      29.22064 -53.23970      62.45544 39.10101 16.41612 39.60469 19.15882 -0.5036850     25.22993 
1 1 1 8   16 20 o 76.83984 13.42931 132.6505       28.23692 146.1577      31.47001 76.86008       63.95773 97.23690 12.01939 56.44277 24.01916 40.79413       26.85862 
1 1 1 8   18 0  o 314.8797 3.916284 1334.874       33.17371 1298.390      45.72688 1375.411       48.20020 310.3484 5.471907 319.4109 5.604226 -9.062561      7.832567 
1 1 1 8   18 1  o 108.4460 3.897201 157.5959       11.20193 199.6871      16.56469 122.1256       15.20619 121.7209 5.053996 95.17111 5.933787 26.54977       7.794402 
1 1 1 8   18 2  o 671.4407 7.311944 6091.601       132.1052 5952.870      182.7336 6243.492       191.2041 663.4726 10.22850 679.4089 10.45159 -15.93628      14.62389 
1 1 1 8   18 3  o 443.0516 7.136006 2648.046       85.13201 2648.046      85.13201 0.000000       0.000000 443.0516 7.136006 ?        ?        ?              ?        
1 1 1 8   18 4  o 677.0887 7.352234 6157.216       133.3978 6573.423      200.9034 5829.023       178.4008 697.3517 10.69922 656.8258 10.08703 40.52588       14.70447 
1 1 1 8   18 5  o 379.4858 4.444779 1938.819       45.35465 1989.380      66.23201 1894.175       62.23659 384.1283 6.403365 374.8432 6.166131 9.285065       8.889559 
1 1 1 8   18 6  o 211.1003 3.351163 598.7309       19.00055 623.6657      28.08882 577.6964       25.79869 215.1365 4.848819 207.0640 4.627108 8.072556       6.702326 
1 1 1 8   18 7  o 600.6521 6.639243 4834.125       106.6128 5214.581      162.8580 4548.809       141.0327 621.0687 9.738364 580.2355 9.026764 40.83313       13.27849 
1 1 1 8   18 8  o 344.1520 5.695567 1610.317       48.84486 1625.793      58.98500 1576.549       87.13025 347.0675 6.311670 341.2366 9.482655 5.830902       11.39113 
1 1 1 8   18 9  o 480.5515 6.974135 3160.119       85.21093 3218.553      105.0737 3047.862       145.6357 487.7180 8.000952 473.3849 11.42537 14.33307       13.94827 
1 1 1 8   18 10 o 229.0655 5.522233 652.7091       27.06519 619.0757      29.85911 807.6199       64.08141 214.1916 5.177154 243.9394 9.755885 -29.74782      11.04447 
1 1 1 8   18 11 o 137.6142 8.657791 262.4435       23.24729 264.1695      25.35948 253.3576       58.18322 139.7596 6.738688 135.4688 15.95053 4.290817       17.31558 
1 1 1 8   18 12 o 149.3083 8.808438 248.3251       24.74928 229.2225      26.34117 392.1928       72.28873 130.1078 7.518797 168.5088 15.93179 -38.40100      17.61688 
1 1 1 8   18 13 o 384.1710 7.481878 2087.044       68.30819 2196.050      80.86774 1815.574       127.6179 403.1370 7.449708 365.2049 12.97751 37.93210       14.96376 
1 1 1 8   18 14 o 56.09573 15.70714 31.62258       25.77748 24.73183      27.71047 75.90823       70.24934 44.39355 16.83830 67.79792 26.52036 -23.40437      31.41429 
1 1 1 8   18 15 o 84.76078 14.58595 91.42883       24.43486 83.29794      26.14652 147.5014       68.66257 76.67974 12.66339 92.84182 26.28000 -16.16208      29.17190 
1 1 1 8   18 16 o 72.77240 13.82757 94.06573       25.50604 103.1385      27.70030 43.50954       65.38869 85.20236 12.07395 60.34243 24.88025 24.85993       27.65514 
1 1 1 8   18 17 o 56.84698 14.93925 44.67305       25.09211 40.80132      27.58286 63.25299       60.42396 51.41900 17.06715 62.27497 24.52420 -10.85596      29.87849 
1 1 1 8   18 18 o 37.38045 12.00734 0.2054281      24.22409 14.03293      26.11866 -84.86743      64.78503 37.87872 15.68062 36.88219 18.18854 0.9965286      24.01468 
1 1 1 8   18 19 o 54.88791 13.84363 62.68469       26.10794 68.42670      28.67305 34.83161       63.15081 61.53868 16.82242 48.23713 21.99069 13.30155       27.68726 
1 1 1 8   20 0  o 443.1875 5.094880 2649.071       60.79983 2660.446      86.14467 2637.780       85.82411 444.1357 7.203263 442.2393 7.207234 1.896393       10.18976 
1 1 1 8   20 1  o 548.6536 6.073089 4063.093       89.72005 4070.190      127.0987 4056.043       126.6690 549.1300 8.595728 548.1771 8.581555 0.9528809      12.14618 
1 1 1 8   20 2  o 193.6531 3.473943 505.0220       18.10792 494.1934      25.19063 516.6000       26.04780 191.5074 4.885062 195.7988 4.940576 -4.291412      6.947886 
1 1 1 8   20 3  o 301.2128 3.976287 1223.135       32.23916 1231.726      45.09434 1214.152       46.10871 302.3000 5.539882 300.1256 5.705537 2.174377       7.952574 
1 1 1 8   20 4  o 175.2754 3.770567 414.0150       17.79166 402.9216      24.89549 425.5950       25.43563 172.8759 5.348139 177.6749 5.316588 -4.798950      7.541134 
1 1 1 8   20 5  o 281.9888 3.768136 1072.737       28.60322 1045.121      40.51344 1100.183       40.38895 278.3623 5.405120 285.6154 5.251673 -7.253082      7.536272 
1 1 1 8   20 6  o 114.3454 4.064241 174.3622       12.14285 184.9429      19.98351 168.1686       15.28921 117.0331 6.341319 111.6576 5.085263 5.375542       8.128482 
1 1 1 8   20 7  o 161.1173 3.624600 351.0793       15.66929 338.9245      22.90976 361.7631       21.47883 158.4739 5.368828 163.7607 4.870994 -5.286835      7.249199 
1 1 1 8   20 8  o 218.5926 3.916903 646.8051       22.97711 615.9049      33.38535 674.6140       31.67144 213.5910 5.804830 223.5942 5.260463 -10.00311      7.833807 
1 1 1 8   20 9  o 108.5684 6.856588 164.7436       19.35081 139.5242      30.19738 182.3152       25.20625 101.1588 11.08619 115.9780 8.071405 -14.81921      13.71318 
1 1 1 8   20 10 o 270.3410 11.81178 997.8961       85.98257 0.000000      0.000000 997.8961       85.98257 ?        ?        270.3410 11.81178 ?              ?        
1 1 1 8   20 11 o 245.1964 8.943305 617.8401       50.83466 434.3580      56.98907 1332.358       112.4609 178.4369 11.86106 311.9559 13.38828 -133.5190      17.88661 
1 1 1 8   20 12 o 188.8796 8.913225 365.4949       37.51405 273.3777      41.26244 804.5175       90.07998 140.0745 10.93988 237.6847 14.07485 -97.61020      17.82645 
1 1 1 8   20 13 o 181.3394 7.693099 420.1426       27.10904 404.4032      29.26721 515.2106       71.92899 172.3368 6.306958 190.3419 14.03415 -18.00508      15.38620 
1 1 1 8   20 14 o 218.5578 6.630942 669.5492       32.63387 678.0168      37.27417 641.7505       67.53667 223.1326 6.203853 213.9829 11.72134 9.149750       13.26188 
1 1 1 8   20 15 o 163.0293 8.705636 395.9084       29.94785 406.2851      33.64128 356.2828       65.74033 171.7136 7.275863 154.3450 15.81816 17.36864       17.41127 
1 1 1 8   20 16 o 96.97130 12.76807 128.4876       26.16392 113.0151      28.84901 200.1918       62.10434 87.80275 12.20224 106.1398 22.43213 -18.33710      25.53615 
1 1 1 8   20 17 f 40.78981 12.92420 12.46257       25.87013 20.22826      28.10209 -30.68132      66.23815 40.09867 16.39578 41.48095 19.98294 -1.382278      25.84839 
1 1 1 8   22 0  o 508.0716 5.725392 3484.697       78.24147 3390.041      107.6502 3590.692       113.9157 500.7972 7.983065 515.3460 8.209209 -14.54883      11.45078 
1 1 1 8   22 1  o 178.2010 3.769718 428.1112       18.05188 424.9745      24.71228 431.6999       26.43292 177.5113 5.170154 178.8906 5.487496 -1.379333      7.539437 
1 1 1 8   22 2  o 230.1941 3.700319 708.2507       22.82960 795.9139      34.25041 638.1645       30.62482 242.8931 5.236815 217.4952 5.229264 25.39789       7.400638 
1 1 1 8   22 3  o 182.2677 3.911937 450.1212       19.11472 492.4244      26.80933 406.3808       27.26092 191.0373 5.211760 173.4981 5.835288 17.53920       7.823875 
1 1 1 8   22 4  o 366.6593 4.601163 1816.505       45.42573 1835.094      64.35922 1798.050       64.12478 368.5329 6.485615 364.7856 6.528370 3.747314       9.202327 
1 1 1 8   22 5  o 115.7246 5.425144 181.3012       16.70958 180.3019      25.61530 182.0415       22.04613 115.4041 8.243181 116.0452 7.055403 -0.6410980     10.85029 
1 1 1 8   22 6  o 250.8434 5.915198 850.1301       39.95354 850.1301      39.95354 0.000000       0.000000 250.8434 5.915198 ?        ?        ?              ?        
1 1 1 8   22 7  o 258.4454 6.184422 902.8377       43.03792 902.8377      43.03792 0.000000       0.000000 258.4454 6.184422 ?        ?        ?              ?        
1 1 1 8   22 8  o 347.0164 6.793589 1646.563       63.47938 1646.563      63.47938 0.000000       0.000000 347.0164 6.793589 ?        ?        ?              ?        
1 1 1 8   22 9  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 10 x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 11 o 248.5699 6.571103 842.6202       43.98151 0.000000      0.000000 842.6202       43.98151 ?        ?        248.5699 6.571103 ?              ?        
1 1 1 8   22 12 o 65.10702 13.70846 29.22568       25.10471 1.178434      28.09974 140.1565       55.88345 36.53401 15.74110 93.68002 22.44783 -57.14601      27.41691 
1 1 1 8   22 13 o 238.9345 6.796536 776.6930       38.21453 753.4175      44.11510 846.6620       76.48753 234.1092 6.998187 243.7598 11.65320 -9.650665      13.59307 
1 1 1 8   22 14 o 84.77020 14.06371 115.6333       23.04847 114.2359      24.64429 125.3873       65.10879 89.58821 10.21603 79.95219 26.20658 9.636024       28.12743 
1 1 1 8   22 15 o 43.55518 13.33142 18.45183       27.59200 30.18405      30.40867 -36.22162      65.64408 45.23096 17.51588 41.87940 20.10226 3.351559       26.66284 
1 1 1 8   22 16 o 56.88571 16.78162 77.61162       44.22163 98.02237      59.27228 51.98695       66.41272 62.35607 24.36901 51.41536 23.07905 10.94071       33.56324 
1 1 1 8   24 0  o 122.2404 5.928090 208.2910       18.47980 223.1520      23.21728 182.5996       30.52687 128.4955 6.710272 115.9854 9.774521 12.51005       11.85618 
1 1 1 8   24 1  o 185.3476 4.551505 465.1246       22.36338 468.6945      29.23317 460.0875       34.72411 186.2735 5.828294 184.4217 6.992553 1.851822       9.103010 
1 1 1 8   24 2  o 170.3766 4.808342 382.3839       21.52134 349.0637      27.12446 439.0041       35.35841 160.6845 6.269081 180.0687 7.292410 -19.38426      9.616685 
1 1 1 8   24 3  o 249.1910 4.521957 839.8298       29.88422 841.1290      39.04260 837.9916       46.43839 249.5153 5.811098 248.8667 6.929900 0.6486053      9.043914 
1 1 1 8   24 4  o 113.2102 8.707612 174.2091       26.54410 174.2091      26.54410 0.000000       0.000000 113.2102 8.707612 ?        ?        ?              ?        
1 1 1 8   24 5  o 41.37880 16.89315 12.42731       29.77531 12.42731      29.77531 0.000000       0.000000 41.37880 16.89315 ?        ?        ?              ?        
1 1 1 8   24 6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   24 7  o 31.57792 10.44703 -30.42647      22.21127 -5.161353     33.80175 -49.62541      29.46572 37.18354 16.59357 25.97231 12.69704 11.21122       20.89405 
1 1 1 8   24 8  o 70.35210 11.43627 73.75594       20.84610 69.74382      33.43110 76.30837       26.66491 68.20651 17.95658 72.49768 14.16737 -4.291168      22.87255 
1 1 1 8   24 9  o 58.77853 12.11496 51.62259       20.18633 57.57564      30.96842 47.22449       26.61841 61.44783 17.73259 56.10923 16.51195 5.338604       24.22992 
1 1 1 8   24 10 o 67.69590 11.14826 70.28612       20.91931 44.21483      30.77493 92.68006       28.52208 54.71052 18.02137 80.68128 13.12880 -25.97076      22.29653 
1 1 1 8   24 11 o 198.0782 7.512663 541.5778       40.06950 541.5778      40.06950 0.000000       0.000000 198.0782 7.512663 ?        ?        ?              ?        
1 1 1 8   24 12 o 237.5310 7.913383 786.5958       50.61343 786.5958      50.61343 0.000000       0.000000 237.5310 7.913383 ?        ?        ?              ?        
1 1 1 8   24 13 o 37.95741 12.74469 -22.99132      33.43259 -10.46206     39.40382 -55.19111      63.16874 36.85190 17.00978 39.06291 18.98357 -2.211010      25.48938 
1 1 1 8   24 14 o 53.82103 13.97608 57.50682       34.50264 95.19897      40.55488 -41.26777      65.65082 68.55730 20.43316 39.08476 19.07377 29.47253       27.95215 
1 1 1 8   26 0  o 185.1657 6.349561 425.4856       30.21484 339.2804      36.66362 607.9631       53.34252 158.3912 8.596486 211.9403 9.347093 -53.54913      12.69912 
1 1 1 8   26 1  o 62.52091 18.18443 54.81564       32.45243 54.81564      32.45243 0.000000       0.000000 62.52091 18.18443 ?        ?        ?              ?        
1 1 1 8   26 2  o 203.0877 6.967558 559.7661       38.10198 559.7661      38.10198 0.000000       0.000000 203.0877 6.967558 ?        ?        ?              ?        
1 1 1 8   26 3  o 147.1316 7.104649 321.2224       25.57123 358.4411      31.55226 249.9904       43.65023 161.6060 7.250863 132.6572 12.22003 28.94875       14.20930 
1 1 1 8   26 4  o 97.02280 9.515091 138.9987       22.57192 153.4380      28.42033 114.3303       37.14724 105.5947 9.995474 88.45085 16.19377 17.14390       19.03018 
1 1 1 8   26 5  o 73.53662 10.67166 87.21812       21.14436 127.3556      28.39405 37.25187       31.68042 95.37450 11.05635 51.69874 18.25636 43.67576       21.34332 
1 1 1 8   26 6  o 151.8030 7.626195 315.6957       31.17249 315.6957      31.17249 0.000000       0.000000 151.8030 7.626195 ?        ?        ?              ?        
1 1 1 8   26 7  o 84.70762 8.604285 97.53797       18.95745 118.3425      32.20830 86.51001       23.44964 90.97297 13.14837 78.44227 11.10203 12.53070       17.20857 
1 1 1 8   26 8  o 53.75031 12.09444 43.23754       19.61372 53.71568      30.19903 35.59285       25.79473 58.45562 17.68010 49.04499 16.50806 9.410625       24.18888 
1 1 1 8   26 9  o 85.84538 9.372234 117.2836       19.28834 82.24827      30.98707 139.4452       24.64496 72.11729 16.33603 99.57347 9.191810 -27.45618      18.74447 
1 1 1 8   26 10 o 47.70063 11.77489 35.84746       18.95158 26.29109      29.42264 42.62355       24.77563 44.06483 17.18351 51.33642 16.10340 -7.271584      23.54978 
1 1 1 8   26 11 o 72.08552 11.06195 87.31453       20.79841 84.50021      30.74796 89.68827       28.23875 70.10056 16.55421 74.07047 14.67735 -3.969910      22.12389 
1 1 1 8   26 12 o 72.07607 12.13227 93.00974       23.23106 106.4289      34.21531 81.53269       31.64266 77.40229 16.89116 66.74986 17.42001 10.65244       24.26455 
1 1 1 8   28 0  o 66.77328 12.68906 68.90272       22.05268 71.56271      26.02170 62.12306       41.54309 69.67804 14.34728 63.86852 20.93335 5.809521       25.37813 
1 1 1 8   28 1  o 135.7455 6.655677 255.8605       22.97050 258.2553      28.28695 251.2236       39.36110 137.2849 7.652085 134.2061 10.89210 3.078796       13.31135 
1 1 1 8   28 2  o 130.4006 6.987622 248.1927       22.52582 270.5814      27.75868 205.0193       38.54721 140.4151 7.341785 120.3861 11.89141 20.02899       13.97524 
1 1 1 8   28 3  o 182.9110 5.529621 469.6727       26.22781 494.0340      33.45984 430.8508       42.23898 189.8531 6.545197 175.9690 8.914439 13.88411       11.05924 
1 1 1 8   28 4  o 94.81641 10.73049 154.8700       22.17590 181.8264      26.56599 92.91895       40.27349 114.2941 8.632145 75.33871 19.64840 38.95540       21.46098 
1 1 1 8   28 5  o 45.74462 13.22958 20.83249       24.29817 16.37614      29.31023 30.62460       43.44783 41.18990 16.78205 50.29934 20.45604 -9.109436      26.45915 
1 1 1 8   28 6  o 72.89336 12.29258 85.78585       23.05140 82.32050      28.69942 92.08568       38.69577 72.31957 15.21958 73.46714 19.30788 -1.147568      24.58515 
1 1 1 8   28 7  o 177.0327 5.447839 439.6211       25.93997 429.9210      35.70044 450.4698       37.75505 175.0907 7.572289 178.9746 7.834300 -3.883987      10.89568 
1 1 1 8   28 8  o 64.98860 12.16166 75.82971       21.76282 67.20269      32.15816 83.11915       29.56024 60.32915 18.24409 69.64806 16.08657 -9.318901      24.32333 
1 1 1 8   28 9  o 33.12857 10.74817 -4.444520      21.69864 -5.728612     32.48880 -3.410485      29.15432 33.58686 15.48260 32.67028 14.91247 0.9165840      21.49635 
1 1 1 8   30 0  o 39.75724 12.12928 9.231650       22.91308 7.360745      28.77352 12.47438       37.88108 37.19768 15.97659 42.31679 18.25450 -5.119110      24.25857 
1 1 1 8   30 1  o 45.26138 12.12170 29.44941       21.57418 42.53545      26.90641 5.888076       36.10369 50.96592 16.85369 39.55684 17.42686 11.40908       24.24340 
1 1 1 8   30 2  o 135.9933 6.474197 266.7578       22.94618 272.5525      29.27816 257.5313       36.94436 139.0378 7.820373 132.9488 10.32001 6.089005       12.94839 
1 1 1 8   30 3  o 87.74805 10.01469 119.3512       22.11882 110.5064      27.31839 136.1852       37.68829 85.38113 11.88256 90.11497 16.12392 -4.733841      20.02938 
1 1 1 8   30 4  o 81.40900 11.36014 131.4913       23.64887 170.3180      29.62154 63.24225       39.27271 106.9192 10.28889 55.89877 20.25709 51.02045       22.72028 
1 1 1 8   30 5  o 57.27597 13.30741 64.71283       23.54300 67.25749      28.23157 58.90255       42.65974 61.10234 16.68797 53.44961 20.73306 7.652729       26.61481 
1 1 1 9   1  0  o 662.7477 7.060586 5914.943       125.9727 5841.516      175.9368 5992.188       180.4537 658.5305 9.921959 666.9650 10.04800 -8.434448      14.12117 
1 1 1 9   1  1  o 1679.297 17.73527 38063.73       801.7261 38625.81      1150.415 37532.97       1117.907 1691.311 25.26084 1667.283 24.90079 24.02832       35.47054 
1 1 1 9   1  2  o 442.3100 4.841349 2634.541       57.65691 2618.699      81.01765 2650.798       82.07092 440.9633 6.823290 443.6567 6.870033 -2.693451      9.682697 
1 1 1 9   1  3  o 1150.052 12.16596 17833.63       376.7448 17828.37      532.6266 17838.91       532.9688 1149.882 17.20228 1150.221 17.20826 -0.3392334     24.33193 
1 1 1 9   1  4  o 1721.959 18.22091 40099.04       844.8423 40140.17      1195.934 40058.06       1193.645 1722.837 25.77980 1721.081 25.75671 1.756104       36.44182 
1 1 1 9   1  5  o 1042.763 11.07122 14674.98       310.8549 14623.07      438.1208 14727.60       441.1250 1040.911 15.63137 1044.616 15.68273 -3.705200      22.14244 
1 1 1 9   1  6  o 122.7309 3.516884 202.9081       11.61728 195.1465      16.36665 210.7896       16.49272 120.3644 5.049850 125.0975 4.896214 -4.733093      7.033769 
1 1 1 9   1  7  o 380.6744 4.408511 1950.414       45.14236 1890.509      62.14935 2017.315       65.67864 374.5017 6.163102 386.8470 6.305239 -12.34531      8.817021 
1 1 1 9   1  8  o 85.76575 5.237901 99.37566       12.08674 102.0436      16.91655 96.59329       17.27558 86.94820 7.225497 84.58331 7.585157 2.364899       10.47580 
1 1 1 9   1  9  o 51.55836 8.080956 35.04366       11.85284 13.87100      15.79473 62.33712       17.93304 35.28682 12.83755 67.82991 9.818596 -32.54309      16.16191 
1 1 1 9   1  10 o 219.4681 3.625411 649.0202       21.41192 667.6065      30.93884 631.9346       29.66347 222.4780 5.164563 216.4583 5.089373 6.019669       7.250823 
1 1 1 9   1  11 o 339.4520 4.276052 1551.832       39.05085 1612.558      56.68155 1496.966       53.87756 345.7593 6.088138 333.1448 6.006086 12.61447       8.552104 
1 1 1 9   1  12 o 329.6817 4.301647 1465.072       38.17950 1495.717      54.63491 1435.824       53.37508 333.0491 6.092262 326.3143 6.074620 6.734802       8.603294 
1 1 1 9   1  13 o 391.0110 4.819159 2061.114       50.71746 2040.568      70.55354 2083.083       72.95750 389.0027 6.735701 393.0194 6.894019 -4.016754      9.638317 
1 1 1 9   1  14 f 459.3483 5.460635 2841.293       67.46106 2961.196      98.38200 2734.883       92.68167 468.4673 7.799252 450.2293 7.644986 18.23804       10.92127 
1 1 1 9   1  15 o 101.7449 7.119874 141.4098       19.33277 152.3681      26.35332 128.6402       28.44799 106.0998 9.224386 97.39009 10.84809 8.709702       14.23975 
1 1 1 9   1  16 o 445.4228 5.510422 2681.637       66.03629 2621.420      91.19265 2748.026       95.75299 440.1985 7.693570 450.6471 7.891006 -10.44861      11.02084 
1 1 1 9   1  17 f 130.5746 7.786932 232.0085       27.30116 255.9779      39.16000 209.3405       38.08192 137.1868 10.60100 123.9624 11.40895 13.22447       15.57386 
1 1 1 9   1  18 o 147.0034 7.978578 296.2136       31.54632 312.9744      44.70467 279.5892       44.52235 151.2153 10.97928 142.7916 11.57956 8.423645       15.95716 
1 1 1 9   1  19 o 79.68333 18.04025 90.30000       43.77278 91.82933      61.06868 88.68403       62.77468 80.13646 25.30278 79.23021 25.72105 0.9062500      36.08050 
1 1 1 9   1  20 o 34.28486 11.75373 -67.50599      33.71679 -69.49808     47.56484 -65.49402      47.80152 33.98005 16.50406 34.58967 16.73966 -0.6096230     23.50746 
1 1 1 9   1  21 o 112.3037 12.08253 193.3036       35.04872 159.3297      49.92554 226.3173       49.21484 100.3837 19.16953 124.2237 14.71324 -23.83998      24.16507 
1 1 1 9   1  22 o 48.08792 14.53214 22.16760       33.33805 19.37786      46.26030 25.18200       48.08697 47.12196 20.24897 49.05388 20.84973 -1.931927      29.06428 
1 1 1 9   1  23 o 36.21223 12.06285 -22.31066      31.33663 11.57118      44.31699 -56.19154      44.31637 41.37511 18.68694 31.04935 15.25934 10.32577       24.12570 
1 1 1 9   3  0  o 919.4654 9.735013 11392.75       241.0211 11399.35      341.0943 11386.17       340.6168 919.7311 13.77305 919.1996 13.76172 0.5314941      19.47003 
1 1 1 9   3  1  o 1353.725 14.30190 24717.82       521.2202 25019.69      746.1403 24430.13       728.4128 1361.778 20.34842 1345.672 20.10272 16.10596       28.60381 
1 1 1 9   3  2  o 1814.059 19.17954 44480.31       936.8405 44647.06      1329.622 44315.90       1320.213 1817.424 27.16994 1810.695 27.07792 6.728638       38.35908 
1 1 1 9   3  3  o 1244.010 13.15719 20874.21       440.6841 21058.75      628.5744 20695.83       618.0031 1249.406 18.68399 1238.614 18.52983 10.79224       26.31437 
1 1 1 9   3  4  o 569.0474 6.156907 4359.542       94.29740 4446.511      135.8430 4278.660       131.0020 574.5186 8.781118 563.5761 8.632610 10.94244       12.31381 
1 1 1 9   3  5  o 502.1834 5.499757 3396.443       74.34639 3450.657      106.7304 3345.341       103.6218 506.0722 7.832356 498.2947 7.722920 7.777496       10.99951 
1 1 1 9   3  6  o 290.8423 3.605888 1139.452       28.23772 1129.118      39.68188 1150.053       40.19133 289.5069 5.090377 292.1778 5.108598 -2.670868      7.211776 
1 1 1 9   3  7  o 283.6617 3.632064 1084.359       27.74125 1091.168      39.17958 1077.515       39.28473 284.5559 5.113389 282.7676 5.159536 1.788239       7.264129 
1 1 1 9   3  8  o 118.1225 4.283525 187.8248       13.59622 182.7031      18.54099 193.7826       19.99741 116.3891 5.916122 119.8559 6.196277 -3.466812      8.567050 
1 1 1 9   3  9  o 143.7552 3.822814 279.3035       14.76596 289.3054      20.46720 268.4470       21.32356 146.4553 5.190031 141.0551 5.614197 5.400238       7.645628 
1 1 1 9   3  10 o 298.3828 4.004987 1200.706       32.14495 1190.913      44.38310 1211.510       46.61892 297.1164 5.547632 299.6492 5.777841 -2.532837      8.009974 
1 1 1 9   3  11 o 418.1749 4.945396 2359.817       55.67765 2359.780      78.08609 2359.855       79.41080 418.1797 6.934694 418.1701 7.052502 0.9674072E-02  9.890792 
1 1 1 9   3  12 o 192.0574 4.218693 499.7711       21.71104 537.5501      30.08757 458.7289       31.36005 199.6842 5.595773 184.4307 6.314807 15.25345       8.437386 
1 1 1 9   3  13 o 119.9122 6.030684 191.9711       19.22581 181.7016      24.99350 206.8547       30.08882 116.0448 7.998670 123.7795 9.027617 -7.734642      12.06137 
1 1 1 9   3  14 o 151.4241 5.414392 313.4605       21.74998 341.2900      29.24034 278.9911       32.54215 159.0806 6.826244 143.7675 8.406246 15.31310       10.82878 
1 1 1 9   3  15 o 249.0868 4.662473 841.4570       31.11053 888.4168      42.68790 788.2603       45.43428 256.5742 6.178859 241.5993 6.984004 14.97490       9.324946 
1 1 1 9   3  16 o 131.8169 6.836246 237.8908       23.75958 247.2628      30.98584 224.5171       37.01444 135.1107 8.517067 128.5231 10.69563 6.587601       13.67249 
1 1 1 9   3  17 o 77.58950 12.89353 89.66699       27.36440 112.0650      35.70827 57.79775       42.59417 90.26411 14.69164 64.91489 21.19264 25.34923       25.78706 
1 1 1 9   3  18 o 185.8979 7.284338 479.5833       35.86820 473.4587      46.60772 488.4793       56.17091 184.9759 9.357491 186.8200 11.16618 -1.844131      14.56868 
1 1 1 9   3  19 o 69.84312 17.63859 72.49487       41.65579 64.71434      55.36424 82.64588       63.23825 66.59176 24.06405 73.09448 25.79538 -6.502724      35.27719 
1 1 1 9   3  20 o 91.49100 15.50008 129.4012       37.66516 98.42977      48.88117 174.6653       59.09327 78.07597 22.19918 104.9060 21.63808 -26.83004      31.00016 
1 1 1 9   3  21 o 41.07989 13.30954 -18.89090      33.70470 -2.092343     46.46819 -37.53992      48.96071 43.76176 19.49782 38.39801 18.12209 5.363750       26.61907 
1 1 1 9   3  22 o 63.51503 15.67504 72.69901       33.04818 62.44469      45.30999 84.35535       48.30835 59.63052 21.73565 67.39953 22.59179 -7.769005      31.35008 
1 1 1 9   3  23 o 69.80428 14.43863 100.0597       30.35126 71.33105      43.46891 127.3896       42.39748 57.92768 21.26290 81.68088 19.53933 -23.75320      28.87726 
1 1 1 9   5  0  o 959.4814 10.16348 12405.88       262.5188 12251.48      366.5062 12568.56       376.1989 953.3602 14.27713 965.6027 14.46890 -12.24255      20.32697 
1 1 1 9   5  1  o 990.6425 10.49438 13227.34       279.9239 13160.53      393.7874 13295.59       397.9904 988.1169 14.80029 993.1680 14.88218 -5.051147      20.98875 
1 1 1 9   5  2  o 417.3841 4.601030 2345.996       51.70993 2349.617      73.18591 2342.385       73.07199 417.7058 6.506892 417.0624 6.506785 0.6433411      9.202060 
1 1 1 9   5  3  o 728.0143 7.773663 7132.817       152.2430 7340.712      221.2109 6945.734       209.8465 738.0720 11.13075 717.9566 10.85476 20.11542       15.54733 
1 1 1 9   5  4  o 1299.010 13.76881 22806.38       481.5998 22881.70      683.2403 22731.99       678.9498 1301.134 19.50150 1296.886 19.44252 4.248291       27.53761 
1 1 1 9   5  5  o 1113.561 11.84566 16780.41       355.1861 16769.07      501.8568 16791.79       502.7625 1113.187 16.74280 1113.934 16.76177 -0.7470703     23.69131 
1 1 1 9   5  6  o 431.9742 4.856996 2515.896       56.49417 2531.954      80.10637 2500.007       79.68495 433.3459 6.865134 430.6026 6.872524 2.743256       9.713992 
1 1 1 9   5  7  o 324.7082 3.990620 1421.569       34.87839 1417.257      48.63393 1426.135       50.04741 324.2076 5.570996 325.2088 5.715260 -1.001190      7.981240 
1 1 1 9   5  8  o 315.2278 4.014145 1339.648       34.04878 1322.641      47.16003 1358.166       49.20985 313.1477 5.592956 317.3080 5.759538 -4.160217      8.028290 
1 1 1 9   5  9  o 132.1493 4.321820 236.1209       15.26247 239.6718      20.45481 231.6607       22.92450 133.2919 5.699125 131.0066 6.498652 2.285324       8.643640 
1 1 1 9   5  10 o 51.76793 9.475548 35.03124       13.70267 20.68239      17.78831 55.97142       21.48901 40.48201 13.70834 63.05384 13.08531 -22.57182      18.95110 
1 1 1 9   5  11 o 164.2234 4.507205 364.1673       19.70265 366.6985      26.02092 360.7661       30.16324 164.9150 5.859750 163.5318 6.850029 1.383240       9.014409 
1 1 1 9   5  12 o 164.3003 4.601511 361.3213       20.07541 348.4578      26.09129 379.9876       31.43013 160.7625 6.027364 167.8381 6.954602 -7.075592      9.203021 
1 1 1 9   5  13 o 225.9692 4.491447 690.2981       26.99154 700.8549      35.63899 676.0974       41.33482 228.0267 5.804386 223.9117 6.855762 4.114944       8.982894 
1 1 1 9   5  14 o 179.0835 5.162329 438.7892       24.26008 463.2781      31.51172 403.1520       38.01359 185.3526 6.313787 172.8143 8.169129 12.53831       10.32466 
1 1 1 9   5  15 o 185.0034 5.225193 459.6994       25.58326 447.6952      33.05042 477.6444       40.40932 182.0672 6.741582 187.9397 7.985089 -5.872421      10.45039 
1 1 1 9   5  16 o 189.3913 5.718081 482.6176       28.59930 470.8401      36.79319 500.5960       45.45838 186.5840 7.323349 192.1987 8.783755 -5.614716      11.43616 
1 1 1 9   5  17 o 52.56538 14.38080 22.48008       28.74377 9.149133      36.72294 43.56492       46.18406 44.89839 18.59048 60.23236 21.94593 -15.33397      28.76160 
1 1 1 9   5  18 o 50.77502 15.31960 6.189592       36.77008 7.619208      49.12479 4.368176       55.44924 49.82979 21.12167 51.72025 22.19539 -1.890453      30.63919 
1 1 1 9   5  19 o 227.9279 7.504322 723.4612       45.58555 731.0031      60.54086 713.5867       69.27337 229.8445 9.782076 226.0113 11.38290 3.833267       15.00864 
1 1 1 9   5  20 o 72.63133 16.14828 83.08878       35.08557 74.68044      47.05485 93.61669       52.65268 69.05587 22.25408 76.20679 23.40564 -7.150917      32.29657 
1 1 1 9   5  21 o 153.7213 9.029054 344.5161       36.89880 364.7661      49.53530 319.2733       55.30585 159.8364 11.50948 147.6062 13.91500 12.23021       18.05811 
1 1 1 9   5  22 o 99.26612 13.59334 163.6460       35.31932 132.7451      45.98558 208.0956       55.15306 86.66554 20.09636 111.8667 18.30988 -25.20116      27.18667 
1 1 1 9   5  23 o 53.50413 14.07747 54.35443       30.04369 17.74074      43.22616 88.57032       41.78677 42.10523 18.77919 64.90302 20.97719 -22.79779      28.15494 
1 1 1 9   7  0  o 2334.043 30.34237 74335.76       1809.581 74965.05      2237.315 73145.28       3077.211 2351.983 35.32722 2316.102 49.34193 35.88086       60.68475 
1 1 1 9   7  1  o 546.2938 5.894115 4019.681       86.70061 4035.072      123.0128 4004.490       122.2175 547.3325 8.346717 545.2552 8.324345 2.077332       11.78823 
1 1 1 9   7  2  o 637.8024 6.843955 5480.809       117.5373 5484.302      166.0925 5477.305       166.3537 638.0065 9.668107 637.5983 9.689509 0.4081421      13.68791 
1 1 1 9   7  3  o 1411.286 14.97722 26950.46       569.1514 26908.88      803.5549 26992.32       806.2552 1410.199 21.16175 1412.372 21.20021 -2.172119      29.95444 
1 1 1 9   7  4  o 730.6873 7.833102 7204.747       154.1155 7197.654      217.5463 7211.891       218.3604 730.3286 11.06242 731.0459 11.09292 -0.7172852     15.66620 
1 1 1 9   7  5  o 836.8914 8.970590 9476.315       202.1436 9445.003      284.5710 9508.208       287.1955 835.5081 12.64901 838.2746 12.72354 -2.766479      17.94118 
1 1 1 9   7  6  o 251.3327 3.502878 850.4866       23.64017 839.5073      32.15940 863.3941       34.86929 249.5793 4.785376 253.0861 5.116717 -3.506821      7.005755 
1 1 1 9   7  7  o 73.26028 6.507903 72.65105       12.48032 72.85291      15.90062 72.32714       20.14161 73.43248 8.041599 73.08810 10.23444 0.3443832      13.01581 
1 1 1 9   7  8  o 622.4520 6.848975 5246.960       114.7919 5273.514      162.3808 5220.434       162.2997 624.0346 9.663681 620.8695 9.708096 3.165100       13.69795 
1 1 1 9   7  9  o 538.5043 6.053895 3921.711       87.76765 3932.454      123.0936 3910.602       125.1771 539.2779 8.476945 537.7308 8.645229 1.547119       12.10779 
1 1 1 9   7  10 o 180.3100 4.485281 445.2076       21.11027 468.6112      27.15281 409.4444       33.56536 186.4379 5.408755 174.1822 7.156559 12.25572       8.970561 
1 1 1 9   7  11 o 151.8730 4.968156 313.1295       19.53805 318.4600      24.58907 304.0000       32.17961 153.6826 5.942018 150.0634 7.963840 3.619186       9.936313 
1 1 1 9   7  12 o 59.43316 10.67120 45.27605       17.05184 30.38022      21.34860 71.52603       28.34011 47.60032 14.95097 71.26599 15.23044 -23.66567      21.34239 
1 1 1 9   7  13 o 228.1197 4.598609 705.0087       27.87586 723.6291      36.84461 680.0817       42.63001 231.6896 5.905871 224.5497 7.050496 7.139969       9.197218 
1 1 1 9   7  14 o 181.2598 5.322677 436.8258       25.11802 417.5159      31.40027 471.1379       41.85687 175.8580 6.631138 186.6617 8.327758 -10.80376      10.64535 
1 1 1 9   7  15 o 142.1403 6.677837 281.8605       24.41487 305.1733      31.09265 244.3701       39.42939 150.1984 7.687924 134.0822 10.92107 16.11615       13.35567 
1 1 1 9   7  16 o 256.0583 5.837664 889.8796       38.96571 895.8911      49.37617 879.9550       63.44268 257.3978 7.124087 254.7188 9.249902 2.679031       11.67533 
1 1 1 9   7  17 f 341.1624 6.091264 1578.499       54.91327 1576.351      71.12064 1581.670       86.41180 341.1238 7.742839 341.2009 9.405447 -0.7711792E-01 12.18253 
1 1 1 9   7  18 o 122.1655 14.66186 194.8045       45.67892 148.1103      56.74427 280.7714       76.99386 101.6665 21.40491 142.6645 20.04273 -40.99796      29.32373 
1 1 1 9   7  19 o 73.92139 15.26270 86.41615       37.47476 133.9843      48.81079 18.12027       58.48643 93.42490 20.00624 54.41789 23.05537 39.00702       30.52540 
1 1 1 9   7  20 o 65.18110 15.52897 46.04469       36.87389 -7.358677     47.77354 124.7457       57.99535 43.93929 19.65912 86.42290 24.04401 -42.48361      31.05793 
1 1 1 9   7  21 o 55.71855 15.33171 46.12155       34.20625 61.77883      43.56253 20.94371       55.24135 60.78149 21.41395 50.65562 21.94739 10.12587       30.66342 
1 1 1 9   7  22 o 62.91006 15.49905 76.23261       32.85996 51.57932      43.49542 109.0129       50.15481 53.24276 20.85662 72.57735 22.93215 -19.33460      30.99809 
1 1 1 9   9  0  o 285.2726 4.293721 1109.416       30.91521 1135.753      37.88643 1056.936       53.48132 290.4173 4.844821 280.1278 7.090266 10.28955       8.587442 
1 1 1 9   9  1  o 237.5416 3.983914 767.7500       23.03279 778.4829      27.35905 741.6321       42.67872 240.4393 4.225831 234.6439 6.754896 5.795380       7.967827 
1 1 1 9   9  2  o 81.50166 3.402536 90.87229       7.225731 95.61328      9.266794 83.51888       11.54090 84.26043 4.084345 78.74288 5.443081 5.517548       6.805072 
1 1 1 9   9  3  o 101.3260 3.662696 143.7061       9.370185 156.0632      11.70481 121.6551       15.63581 107.6414 4.038329 95.01070 6.111732 12.63068       7.325393 
1 1 1 9   9  4  o 432.7247 4.877947 2525.114       56.83442 2547.587      80.25705 2502.508       80.49551 434.6602 6.857250 430.7893 6.939422 3.870819       9.755894 
1 1 1 9   9  5  o 461.8951 5.215748 2880.243       64.84669 2889.343      90.58223 2870.677       92.87490 462.6608 7.271046 461.1293 7.479838 1.531464       10.43150 
1 1 1 9   9  6  o 286.6783 3.914863 1102.712       29.84561 1073.711      39.01052 1143.648       46.34754 282.1909 5.133993 291.1656 5.911575 -8.974670      7.829726 
1 1 1 9   9  7  o 370.7773 4.542994 1851.992       45.13437 1820.429      60.65947 1891.139       67.55518 367.2870 6.133519 374.2677 6.703366 -6.980743      9.085987 
1 1 1 9   9  8  o 219.5843 4.110258 652.0612       23.49987 656.6074      29.72292 644.4810       38.38015 220.6674 5.002302 218.5012 6.523332 2.166183       8.220515 
1 1 1 9   9  9  o 202.6138 4.381062 562.8477       22.83730 586.8297      28.71505 521.5701       37.67248 208.6436 5.111179 196.5841 7.116928 12.05956       8.762123 
1 1 1 9   9  10 o 456.5535 5.481249 2815.865       67.32372 2897.997      94.20273 2730.124       96.25054 463.3937 7.549706 449.7133 7.948479 13.68033       10.96250 
1 1 1 9   9  11 o 202.7001 4.655832 554.9594       24.11039 556.9849      29.75382 551.0858       41.14579 203.2897 5.435557 202.1105 7.560544 1.179184       9.311665 
1 1 1 9   9  12 o 154.7177 5.649516 318.8177       21.98041 311.5611      26.53827 334.6716       39.22596 152.0099 6.483617 157.4255 9.253693 -5.415619      11.29903 
1 1 1 9   9  13 o 296.6734 4.947980 1183.964       38.05297 1173.301      47.64401 1202.751       63.23846 294.9338 5.999296 298.4129 7.870101 -3.479065      9.895961 
1 1 1 9   9  14 o 180.5297 5.885741 441.1472       26.77358 441.3533      32.56994 440.7178       47.01743 180.7578 6.691700 180.3016 9.684469 0.4562073      11.77148 
1 1 1 9   9  15 o 66.31635 13.67972 64.91531       25.43255 73.77215      30.16096 43.12218       47.31137 71.90205 15.99164 60.73066 22.19926 11.17139       27.35945 
1 1 1 9   9  16 o 381.3644 7.018123 1958.065       66.05339 1927.895      78.70136 2029.963       121.4928 377.2148 7.748365 385.5139 11.70380 -8.299072      14.03625 
1 1 1 9   9  17 o 231.6390 8.949387 716.0681       51.58718 678.6370      61.40684 805.8452       95.10049 222.6794 10.24126 240.5987 14.67933 -17.91927      17.89877 
1 1 1 9   9  18 o 55.75006 16.60816 27.81666       42.01812 38.08022      51.99368 8.494657       71.33908 56.46834 22.58406 55.03179 24.35742 1.436546       33.21631 
1 1 1 9   9  19 o 95.89859 15.28339 146.3562       37.77724 148.4483      48.20928 143.0276       60.80804 98.49037 18.86522 93.30681 24.05060 5.183563       30.56677 
1 1 1 9   9  20 o 109.9073 14.11363 211.6248       37.45073 258.1895      47.27618 133.1730       61.36428 133.4837 13.15318 86.33089 24.97544 47.15278       28.22727 
1 1 1 9   9  21 f 35.89610 12.22450 -42.14232      33.48565 -35.28064     41.32564 -55.26026      57.13956 33.96916 16.20875 37.82305 18.30382 -3.853886      24.44900 
1 1 1 9   9  22 o 45.09357 19.41128 30.07897       42.65154 30.07897      42.65154 0.000000       0.000000 45.09357 19.41128 ?        ?        ?              ?        
1 1 1 9   11 0  o 429.5309 6.928572 2487.384       80.06035 2530.177      116.1445 2448.642       110.5104 433.0329 9.960801 426.0288 9.633426 7.004089       13.85714 
1 1 1 9   11 1  o 358.2798 8.582433 1732.081       82.79729 0.000000      0.000000 1732.081       82.79729 ?        ?        358.2798 8.582433 ?              ?        
1 1 1 9   11 2  o 262.1058 4.248698 969.6529       26.93647 1034.188      32.35303 823.8460       48.63010 277.0666 4.336581 247.1451 7.307517 29.92149       8.497396 
1 1 1 9   11 3  o 126.3002 5.231282 219.2642       12.50456 220.9048      13.54587 209.8075       32.52192 128.0459 3.928782 124.5546 9.696903 3.491318       10.46256 
1 1 1 9   11 4  o 63.03945 9.301865 64.32789       11.34908 68.68398      12.33076 40.19154       29.02536 71.34840 6.418330 54.73050 17.46149 16.61789       18.60373 
1 1 1 9   11 5  o 355.9911 5.379822 1729.088       47.98516 1758.133      58.32366 1668.237       84.41863 360.9256 6.001277 351.0565 8.930543 9.869110       10.75964 
1 1 1 9   11 6  o 449.6935 7.200789 2731.443       87.19269 2731.443      87.19269 0.000000       0.000000 449.6935 7.200789 ?        ?        ?              ?        
1 1 1 9   11 7  o 321.2024 5.746808 1391.459       49.70371 1391.459      49.70371 0.000000       0.000000 321.2024 5.746808 ?        ?        ?              ?        
1 1 1 9   11 8  o 302.6989 4.918697 1252.258       38.53077 1297.716      48.71694 1176.320       62.96589 310.2276 5.831981 295.1702 7.922266 15.05746       9.837394 
1 1 1 9   11 9  o 240.5202 5.401326 779.8207       34.98125 779.8207      34.98125 0.000000       0.000000 240.5202 5.401326 ?        ?        ?              ?        
1 1 1 9   11 10 o 426.3026 6.382477 2462.593       68.25697 2478.206      82.81957 2429.530       120.5208 428.6428 7.175531 423.9623 10.55726 4.680511       12.76495 
1 1 1 9   11 11 o 98.68729 11.03648 174.5731       21.32148 206.5022      24.53618 76.11071       43.08720 123.7285 7.364676 73.64606 20.80811 50.08247       22.07296 
1 1 1 9   11 12 o 112.6881 8.774826 176.0679       22.81248 179.9144      26.36786 164.6195       45.48923 115.4053 8.485273 109.9710 15.36198 5.434296       17.54965 
1 1 1 9   11 13 o 324.6344 5.904124 1407.451       46.73325 1383.162      55.16268 1469.210       87.96175 320.0629 6.400686 329.2058 9.922999 -9.142883      11.80825 
1 1 1 9   11 14 o 245.4484 6.231728 822.9903       37.35958 832.2458      44.46958 800.7863       68.87732 248.1596 6.655007 242.7372 10.53796 5.422424       12.46346 
1 1 1 9   11 15 o 263.1523 7.032629 927.6545       45.95414 905.5851      54.90532 979.2776       83.97314 258.5078 7.887827 267.7967 11.64533 -9.288940      14.06526 
1 1 1 9   11 16 o 213.5593 8.685881 648.4009       44.56149 642.6826      52.38795 663.3662       84.74924 214.7908 9.058002 212.3279 14.82332 2.462860       17.37176 
1 1 1 9   11 17 o 98.66554 18.59069 158.3135       49.07665 171.9182      59.06041 127.9629       88.21391 107.1214 21.22599 90.20969 30.52724 16.91171       37.18138 
1 1 1 9   11 18 o 170.9099 15.32853 423.4132       70.54254 0.000000      0.000000 423.4132       70.54254 ?        ?        170.9099 15.32853 ?              ?        
1 1 1 9   11 19 o 53.34640 15.18779 32.53583       33.34179 26.74789      44.76307 39.74872       49.97036 50.76732 20.71803 55.92547 22.21348 -5.158154      30.37557 
1 1 1 9   11 20 o 65.91132 15.90148 80.66884       35.54382 95.56084      41.82033 41.92319       67.45625 74.67593 20.27599 57.14671 24.50128 17.52921       31.80296 
1 1 1 9   11 21 o 42.36619 14.00572 -1.643566      37.06747 -2.196190     44.43931 -0.3798589     67.20096 39.42768 18.15021 45.30469 21.33567 -5.877003      28.01145 
1 1 1 9   13 0  o 381.0553 6.493659 1957.806       66.46404 2032.988      98.16753 1894.174       90.31179 387.7544 9.402162 374.3562 8.959340 13.39822       12.98732 
1 1 1 9   13 1  o 351.7088 6.244870 1669.631       59.03894 1709.781      86.47389 1634.576       80.80177 355.6324 9.030261 347.7852 8.628324 7.847229       12.48974 
1 1 1 9   13 2  o 241.4290 4.144179 784.8787       20.78482 784.0664      22.97609 788.5383       48.76759 241.2369 3.537113 241.6212 7.495712 -0.3842926     8.288358 
1 1 1 9   13 3  o 114.7193 5.300027 171.9616       9.875318 170.5059      10.39668 185.3929       31.58125 112.4914 3.432353 116.9472 10.02896 -4.455849      10.60005 
1 1 1 9   13 4  o 338.7927 4.893324 1576.818       37.82030 1601.437      43.40665 1499.214       77.06674 344.6530 4.677253 332.9325 8.596614 11.72052       9.786648 
1 1 1 9   13 5  o 346.8603 5.031717 1665.456       40.29449 1706.367      46.61126 1544.457       80.16126 355.7684 4.865642 337.9522 8.808986 17.81622       10.06343 
1 1 1 9   13 6  o 69.01869 9.796503 73.34607       10.00770 74.92249      10.45242 55.99406       34.67805 74.54792 5.207124 63.48946 18.88840 11.05846       19.59301 
1 1 1 9   13 7  o 143.4299 6.075312 277.4167       14.70153 277.2993      15.58681 278.3632       44.25294 143.4659 4.034829 143.3939 11.46114 0.7200623E-01  12.15062 
1 1 1 9   13 8  o 269.5410 4.829202 948.0049       27.35924 929.6005      30.21466 1031.803       64.47239 262.6696 4.271935 276.4124 8.662293 -13.74280      9.658403 
1 1 1 9   13 9  o 143.0655 5.599477 281.5257       17.06014 285.0448      19.06665 267.3964       38.20514 145.4466 4.868413 140.6843 10.08539 4.762299       11.19895 
1 1 1 9   13 10 o 177.9203 5.211052 396.7120       19.17744 381.0801      20.99056 475.6503       47.16951 168.1755 4.635302 187.6651 9.334573 -19.48964      10.42210 
1 1 1 9   13 11 o 72.53790 10.54076 67.38507       16.58404 63.52824      18.44743 83.63489       37.86562 68.49871 10.00161 76.57710 18.55797 -8.078384      21.08152 
1 1 1 9   13 12 o 166.6163 6.410383 398.3679       21.76316 411.4275      24.15488 342.0457       50.16262 174.6424 5.136554 158.5902 11.74682 16.05217       12.82077 
1 1 1 9   13 13 o 52.36174 14.05602 28.57984       26.37071 32.51632      32.01578 20.27425       46.50453 51.71015 18.34280 53.01332 21.30325 -1.303173      28.11204 
1 1 1 9   13 14 o 131.4431 10.70110 230.7095       35.85509 216.0861      43.53942 261.5240       63.20263 125.6015 12.87373 137.2846 17.09739 -11.68312      21.40219 
1 1 1 9   13 15 o 77.12118 16.55243 100.1741       38.63902 118.9129      46.81673 60.14092       68.42907 87.41850 20.28139 66.82385 26.16480 20.59465       33.10486 
1 1 1 9   13 16 o 217.4632 17.65336 655.8357       103.3705 0.000000      0.000000 655.8357       103.3705 ?        ?        217.4632 17.65336 ?              ?        
1 1 1 9   13 17 o 128.2502 13.42023 245.3139       40.85999 242.4738      48.69252 252.0739       75.12259 130.4820 13.85889 126.0185 22.98569 4.463509       26.84046 
1 1 1 9   13 18 o 146.0406 11.49216 303.0222       42.43925 284.3430      51.25929 343.7312       75.67255 140.9939 13.50172 151.0873 18.60060 -10.09343      22.98432 
1 1 1 9   13 19 o 43.55732 14.07168 -14.53737      33.58588 -29.35049     40.26544 19.33570       60.88866 35.13997 16.53854 51.97467 22.77115 -16.83470      28.14336 
1 1 1 9   13 20 o 38.89811 13.01942 -20.12922      34.76479 -8.299244     41.53214 -47.82014      63.54205 37.99501 17.51137 39.80122 19.27103 -1.806213      26.03883 
1 1 1 9   15 0  o 264.7913 3.356483 945.3000       23.93040 933.9965      33.82980 956.6206       33.85562 263.2049 4.773336 266.3777 4.720081 -3.172821      6.712965 
1 1 1 9   15 1  o 251.7251 4.559255 850.6768       27.13023 845.5811      31.50922 865.2833       53.34690 250.4353 4.672601 253.0149 7.830326 -2.579544      9.118509 
1 1 1 9   15 2  o 406.9880 5.862196 2256.657       60.60675 2291.880      74.59418 2188.242       103.9602 411.9990 6.723966 401.9771 9.604669 10.02182       11.72439 
1 1 1 9   15 3  o 176.9621 4.916680 440.0605       18.26338 451.1685      20.39183 395.0275       41.05837 182.9796 4.138759 170.9447 8.919958 12.03493       9.833361 
1 1 1 9   15 4  o 336.7756 5.377806 1543.088       44.81781 1562.063      53.85680 1500.354       80.82182 340.3501 5.876669 333.2011 9.008216 7.148987       10.75561 
1 1 1 9   15 5  o 672.7301 8.536225 6175.410       134.9247 6223.691      156.7722 6037.486       264.9683 678.8538 8.576485 666.6063 14.76186 12.24750       17.07245 
1 1 1 9   15 6  o 401.9109 5.640086 2204.879       52.31108 2228.419      60.27296 2133.016       105.3101 406.5834 5.505409 397.2384 9.845443 9.344971       11.28017 
1 1 1 9   15 7  o 43.88313 11.28800 14.36022       11.12065 11.96504      11.66895 38.06545       36.71005 31.66831 11.08812 56.09794 19.66543 -24.42963      22.57600 
1 1 1 9   15 8  o 298.8223 5.193666 1128.013       34.81926 1071.595      39.07966 1345.267       76.68773 281.9922 5.146717 315.6523 9.022638 -33.66003      10.38733 
1 1 1 9   15 9  o 560.3352 7.364088 4258.538       95.19243 4271.780      109.4608 4217.446       192.8255 562.7259 7.224011 557.9445 12.83483 4.781433       14.72818 
1 1 1 9   15 10 o 226.0005 5.913392 689.1767       34.00937 686.1168      41.71857 695.2391       58.72128 225.4141 6.873294 226.5869 9.624481 -1.172806      11.82678 
1 1 1 9   15 11 o 90.09017 10.22700 112.2955       16.93237 111.9861      18.32180 114.1063       44.32638 90.99941 7.477324 89.18093 19.03827 1.818481       20.45400 
1 1 1 9   15 12 o 385.0884 5.986106 1952.331       50.60038 1913.154      56.69047 2105.844       112.2200 376.4824 5.592191 393.6944 10.58590 -17.21198      11.97221 
1 1 1 9   15 13 o 224.3560 6.791692 670.7292       31.46560 663.2656      34.65372 705.7850       75.10243 221.5602 5.808645 227.1517 12.27876 -5.591568      13.58338 
1 1 1 9   15 14 o 189.4067 9.785381 526.0226       46.46528 528.1620      56.59665 521.5989       81.38346 192.8972 10.89636 185.9162 16.25682 6.981064       19.57076 
1 1 1 9   15 15 o 51.19527 16.15434 -19.97968      31.84601 -30.59821     34.40636 43.50575       84.12858 33.18914 15.51380 69.20140 28.34029 -36.01226      32.30867 
1 1 1 9   15 16 o 169.8422 10.31932 443.4312       30.76787 454.9823      33.15818 371.8687       82.53201 182.5422 6.745965 157.1422 19.50501 25.39999       20.63864 
1 1 1 9   15 17 o 59.73915 16.10781 21.49575       28.18228 5.140516      30.61259 112.4050       72.17316 38.95454 16.59814 80.52377 27.61064 -41.56923      32.21561 
1 1 1 9   15 18 o 56.75821 15.79376 35.37232       28.16572 25.19647      30.98157 83.84162       67.61633 45.18472 17.62936 68.33170 26.21025 -23.14698      31.58752 
1 1 1 9   15 19 o 57.71722 15.35853 45.43780       27.44958 29.57359      30.80365 106.6163       60.49120 45.13730 17.58757 70.29713 25.18364 -25.15983      30.71707 
1 1 1 9   15 20 o 66.60843 13.78476 99.63749       28.95497 113.1152      33.13287 56.07652       59.56622 81.24333 15.71393 51.97352 22.65283 29.26981       27.56951 
1 1 1 9   17 0  o 614.1644 6.714241 5098.815       111.0184 5031.700      155.3091 5168.942       158.7551 610.0438 9.454803 618.2850 9.535766 -8.241150      13.42848 
1 1 1 9   17 1  f 321.4833 3.965217 1393.183       34.32281 1377.049      48.22874 1409.740       48.85694 319.5979 5.604264 323.3687 5.611060 -3.770782      7.930433 
1 1 1 9   17 2  o 210.9161 3.122410 598.6036       17.71562 562.8303      24.59827 637.1543       25.53533 204.3759 4.469837 217.4563 4.361001 -13.08041      6.244820 
1 1 1 9   17 3  o 600.1141 6.585164 4865.487       106.3927 4912.914      152.1195 4820.072       148.8575 602.9631 9.369377 597.2652 9.255934 5.697937       13.17033 
1 1 1 9   17 4  o 446.2565 5.054547 2679.969       60.62944 2787.214      88.99644 2587.088       82.82208 454.5536 7.271166 437.9594 7.023100 16.59421       10.10909 
1 1 1 9   17 5  o 364.1066 5.660792 1781.316       50.57988 1770.715      60.12454 1806.983       93.55499 362.4233 6.161015 365.7899 9.498430 -3.366638      11.32158 
1 1 1 9   17 6  o 566.8466 7.883848 4281.252       110.1347 4189.685      130.8600 4503.625       203.9281 557.0919 8.723616 576.6013 13.13464 -19.50940      15.76770 
1 1 1 9   17 7  o 355.2416 5.691675 1688.472       49.52767 1668.077      58.71200 1738.796       92.22692 351.7327 6.199131 358.7505 9.547327 -7.017822      11.38335 
1 1 1 9   17 8  o 348.2998 5.640674 1614.835       46.93921 1586.489      54.69591 1694.054       91.43874 342.8981 5.923882 353.7015 9.600856 -10.80341      11.28135 
1 1 1 9   17 9  o 289.2692 5.275016 1151.468       33.92210 1167.592      38.50618 1095.586       71.68572 294.2238 4.860369 284.3145 9.363759 9.909332       10.55003 
1 1 1 9   17 10 o 159.6559 6.390563 335.5277       19.07781 331.7102      20.52497 359.7713       51.72370 156.8071 4.861087 162.5047 11.82062 -5.697586      12.78113 
1 1 1 9   17 11 o 354.3604 6.817811 1716.226       63.55950 1757.093      82.16695 1655.340       100.2917 360.0052 8.476274 348.7154 10.68096 11.28983       13.63562 
1 1 1 9   17 12 o 183.1979 7.565633 409.8962       26.14010 392.7340      27.99347 526.7807       73.05490 170.4748 6.098363 195.9211 13.84793 -25.44629      15.13127 
1 1 1 9   17 13 o 433.2601 7.341562 2551.901       72.82362 2558.023      83.44774 2532.348       149.1422 435.1619 7.121645 431.3582 12.84042 3.803619       14.68312 
1 1 1 9   17 14 o 90.04517 14.51730 154.7919       27.54734 166.5752      29.76175 84.33166       72.77760 109.0319 10.13728 71.05849 27.20741 37.97336       29.03459 
1 1 1 9   17 15 o 103.1461 13.14605 123.0045       25.72239 107.9465      27.50431 228.0487       72.64445 87.63335 11.65596 118.6588 23.56721 -31.02540      26.29211 
1 1 1 9   17 16 o 78.38791 13.51425 117.3937       25.88068 131.3550      28.26191 44.86057       64.41805 96.55665 10.87016 60.21917 24.74629 36.33747       27.02849 
1 1 1 9   17 17 o 45.11922 14.12774 10.04806       26.85348 9.763695      29.43367 11.45999       65.58646 38.87074 16.40574 51.36771 23.00488 -12.49698      28.25549 
1 1 1 9   17 18 o 75.71284 15.48464 89.35226       26.21979 77.58344      28.44635 155.8242       67.60512 68.57733 15.73849 82.84834 26.67201 -14.27101      30.96928 
1 1 1 9   17 19 o 75.91373 14.62066 114.5643       27.20945 111.9887      29.75622 127.7078       67.21964 83.94581 13.16422 67.88164 26.11051 16.06417       29.24133 
1 1 1 9   19 0  o 428.6703 4.909379 2471.763       56.55485 2381.018      77.09795 2577.474       83.21291 420.1885 6.814206 437.1521 7.069273 -16.96356      9.818759 
1 1 1 9   19 1  o 491.5496 5.509718 3256.972       72.87291 3330.832      105.4914 3189.555       100.7853 496.8632 7.884916 486.2361 7.697798 10.62704       11.01944 
1 1 1 9   19 2  o 448.4063 5.090436 2708.617       61.40563 2784.494      89.18793 2640.233       84.66949 454.3595 7.289926 442.4531 7.106836 11.90634       10.18087 
1 1 1 9   19 3  o 375.8035 4.433924 1902.992       44.84020 1933.953      64.75226 1874.466       62.15471 378.7320 6.349499 372.8751 6.190523 5.856964       8.867847 
1 1 1 9   19 4  o 175.0367 3.275687 409.9597       15.08492 425.9619      24.26076 399.8737       19.26087 177.7885 5.067774 172.2849 4.151886 5.503677       6.551373 
1 1 1 9   19 5  o 384.3873 4.574846 1994.032       47.35040 1986.910      66.76431 2001.239       67.16466 383.6978 6.462069 385.0767 6.477541 -1.378845      9.149693 
1 1 1 9   19 6  o 132.2981 3.804966 236.1464       13.54835 233.9169      19.40520 238.2667       18.92437 131.6844 5.472683 132.9117 5.287798 -1.227264      7.609932 
1 1 1 9   19 7  f 267.1682 5.420615 974.7053       34.63391 985.8790      40.67347 945.2369       66.05283 270.2701 5.588946 264.0663 9.289561 6.203827       10.84123 
1 1 1 9   19 8  o 134.9220 8.062733 237.8110       27.80285 218.1823      33.73578 279.3688       49.08754 126.7769 9.882510 143.0670 12.74232 -16.29011      16.12547 
1 1 1 9   19 9  o 234.8435 7.525364 743.1523       47.19220 696.7986      62.13663 806.3369       72.54556 226.3787 10.19363 243.3083 11.07314 -16.92961      15.05073 
1 1 1 9   19 10 o 90.66987 12.88236 72.88569       26.03630 44.76820      28.45576 217.4577       64.52441 56.57409 17.17368 124.7657 19.20638 -68.19157      25.76471 
1 1 1 9   19 11 o 192.9348 11.49477 531.8344       59.67768 524.8620      82.71747 539.4031       86.18314 191.7797 16.01811 194.0898 16.49059 -2.310135      22.98955 
1 1 1 9   19 12 o 78.02111 15.76978 38.86700       29.30328 13.53007      31.62472 192.6870       77.92127 43.54636 17.54338 112.4959 26.21019 -68.94949      31.53956 
1 1 1 9   19 13 o 119.3893 11.16315 179.3861       24.06680 171.2229      25.59935 241.5051       70.61723 111.7222 8.509537 127.0563 20.64101 -15.33408      22.32630 
1 1 1 9   19 14 o 227.5079 6.633348 735.8614       32.67233 751.3973      36.85646 678.8544       70.60072 235.0615 5.823026 219.9543 11.92047 15.10722       13.26670 
1 1 1 9   19 15 o 79.49621 12.52212 130.6239       23.25640 148.5658      25.34004 34.78843       58.56468 103.1742 9.121214 55.81817 23.32419 47.35607       25.04424 
1 1 1 9   19 16 o 44.67621 13.67919 14.04966       22.63096 11.35354      24.49079 29.80592       59.20514 36.81210 15.20710 52.54031 22.74257 -15.72821      27.35837 
1 1 1 9   19 17 o 42.63024 13.88325 -0.6642488E-01 24.57704 -9.240220     26.40699 59.32634       67.19101 30.37185 13.98509 54.88863 23.98742 -24.51677      27.76651 
1 1 1 9   21 0  o 409.3495 4.792940 2260.192       52.81864 2287.994      75.64037 2233.736       73.78776 411.8000 6.821563 406.8990 6.734639 4.901001       9.585879 
1 1 1 9   21 1  o 374.2943 4.513116 1889.779       45.47173 1845.543      63.36938 1936.732       65.28697 369.7842 6.364257 378.8043 6.400711 -9.020081      9.026232 
1 1 1 9   21 2  o 35.42114 9.456326 11.18132       12.17807 6.682344      15.60012 18.20039       19.48548 31.08848 12.39154 39.75380 14.28769 -8.665321      18.91265 
1 1 1 9   21 3  o 134.2152 4.343006 244.8630       15.30318 251.1405      19.71337 235.3433       24.27599 136.4377 5.365908 131.9927 6.830362 4.445023       8.686012 
1 1 1 9   21 4  o 121.0131 4.064744 192.4668       12.91515 220.7421      21.25095 175.9066       16.26322 127.8500 6.172970 114.1762 5.289900 13.67377       8.129489 
1 1 1 9   21 5  o 273.1589 3.842033 1007.504       28.20098 1000.752      41.15207 1013.482       38.72309 272.2727 5.613118 274.0452 5.247645 -1.772491      7.684066 
1 1 1 9   21 6  o 27.18702 12.69020 -51.85012      13.52110 -21.59496     22.89326 -68.05742      16.75573 27.18702 12.69020 ?        ?        ?              ?        
1 1 1 9   21 7  o 255.0555 4.267714 879.3729       29.27918 875.6762      42.33857 882.7614       40.53436 254.5182 6.177801 255.5927 5.889678 -1.074478      8.535427 
1 1 1 9   21 8  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   21 9  o 63.35658 27.16872 -230.3325      38.25556 -294.2726     43.11151 6.498840       82.97102 ?        ?        63.35658 27.16872 ?              ?        
1 1 1 9   21 10 o 227.3000 9.352679 455.2285       45.67066 276.0844      49.99146 1359.237       112.3003 141.2645 13.14255 313.3356 13.31029 -172.0712      18.70536 
1 1 1 9   21 11 o 363.8861 8.204041 1839.698       80.38386 1846.876      113.5001 1832.474       113.8607 364.6394 11.55976 363.1328 11.64461 1.506622       16.40808 
1 1 1 9   21 12 o 144.3231 8.894238 283.3215       25.10249 278.4727      27.28234 310.0781       64.08883 142.7200 7.099262 145.9262 16.31044 -3.206177      17.78848 
1 1 1 9   21 13 o 52.51847 14.87405 13.97733       25.42843 0.2732129     27.89303 81.40561       61.87157 35.59488 15.50812 69.44207 25.38598 -33.84719      29.74810 
1 1 1 9   21 14 o 80.15952 14.55875 108.1693       26.83648 108.8667      29.42370 104.7188       65.44935 86.38479 12.64960 73.93425 26.22625 12.45054       29.11750 
1 1 1 9   21 15 o 64.02364 14.64356 75.76725       26.07537 77.72028      28.31381 64.86006       66.91139 69.11944 15.58503 58.92785 24.79602 10.19159       29.28713 
1 1 1 9   21 16 o 82.27891 13.15977 156.7571       24.93551 168.1231      26.79521 83.29716       68.12086 107.1123 9.290401 57.44554 24.62533 49.66674       26.31955 
1 1 1 9   23 0  o 219.7989 3.882339 652.7838       22.93304 664.2476      31.62923 640.0770       33.29965 221.8554 5.294626 217.7425 5.679540 4.112915       7.764678 
1 1 1 9   23 1  o 145.8865 4.484469 289.4672       17.48051 308.8947      23.83118 266.8399       25.71895 151.2576 5.851202 140.5154 6.797447 10.74217       8.968938 
1 1 1 9   23 2  o 293.7213 4.194413 1165.112       33.15394 1168.455      46.13985 1161.543       47.67113 294.1726 5.824929 293.2699 6.036770 0.9026794      8.388825 
1 1 1 9   23 3  o 311.7485 6.226067 1313.668       52.26387 1313.668      52.26387 0.000000       0.000000 311.7485 6.226067 ?        ?        ?              ?        
1 1 1 9   23 4  o 163.6638 5.005864 360.2078       21.88322 345.3415      28.91665 380.1326       33.47683 159.7794 6.721156 167.5482 7.420295 -7.768829      10.01173 
1 1 1 9   23 5  o 102.7937 6.709842 147.4547       17.97910 126.5510      27.98714 162.1430       23.46025 96.26883 10.79666 109.3186 7.969946 -13.04974      13.41968 
1 1 1 9   23 6  o 22.30630 11.13538 -71.15270      27.30195 0.000000      0.000000 -71.15270      27.30195 ?        ?        22.30630 11.13538 ?              ?        
1 1 1 9   23 7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 8  o 243.2866 4.641874 807.6866       30.38222 789.9662      43.57163 824.4565       42.38677 240.6111 6.725194 245.9622 6.399980 -5.351151      9.283748 
1 1 1 9   23 9  o 177.7502 5.145656 433.1953       24.56307 420.5869      35.74067 444.4811       33.81418 175.1723 7.577289 180.3281 6.963893 -5.155777      10.29131 
1 1 1 9   23 10 o 51.80837 14.45918 28.21254       25.30481 26.81620      28.31767 33.74696       56.37643 46.37962 17.13887 57.23713 23.29229 -10.85751      28.91837 
1 1 1 9   23 11 o 144.4170 10.38531 326.0315       32.26711 343.6352      36.84867 268.1507       66.81696 157.2616 8.701933 131.5723 18.85988 25.68930       20.77062 
1 1 1 9   23 12 o 154.6601 9.229446 336.8287       35.00790 317.9521      41.29453 385.0567       66.00557 149.6627 10.24697 159.6575 15.35351 -9.994858      18.45889 
1 1 1 9   23 13 o 41.53069 13.28168 0.4845781      31.76820 19.17099      36.45819 -58.45234      64.74792 43.36507 18.27831 39.69630 19.27475 3.668766       26.56337 
1 1 1 9   23 14 f 50.89410 14.84241 34.84576       24.17102 25.49380      26.01858 93.76844       65.30903 41.10350 16.12274 60.68471 24.92480 -19.58121      29.68481 
1 1 1 9   25 0  o 203.2460 4.695980 567.4075       24.92502 588.2841      31.94361 534.9130       39.85276 208.3247 5.694555 198.1673 7.468665 10.15742       9.391960 
1 1 1 9   25 1  o 67.42163 8.742284 81.72313       21.66306 151.9771      26.72317 -52.93385      36.99704 104.5337 9.493975 30.30951 14.68246 74.22423       17.48457 
1 1 1 9   25 2  o 65.22469 10.50331 67.61232       24.92237 119.3793      29.87973 -50.74190      45.17957 93.73268 11.83865 36.71669 17.35294 57.01599       21.00662 
1 1 1 9   25 3  o 180.2258 8.013446 439.1185       38.88836 439.1185      38.88836 0.000000       0.000000 180.2258 8.013446 ?        ?        ?              ?        
1 1 1 9   25 4  o 62.29285 9.077209 58.58081       23.24824 130.0607      29.00393 -69.87770      38.88179 95.64034 11.26244 28.94536 14.23870 66.69498       18.15442 
1 1 1 9   25 5  o 137.3945 6.134130 257.9350       22.37886 318.2430      32.61364 204.2728       30.76425 152.7355 7.930047 122.0534 9.360800 30.68209       12.26826 
1 1 1 9   25 6  o 288.3568 4.588058 1135.538       35.56722 1120.984      51.58341 1148.729       49.10719 286.4731 6.687177 290.2405 6.283530 -3.767395      9.176115 
1 1 1 9   25 7  o 35.90562 10.92579 1.754110       18.51193 1.112187      30.66456 2.122204       23.22066 37.97616 16.40289 33.83507 14.43733 4.141090       21.85157 
1 1 1 9   25 8  o 220.8428 4.522042 666.0693       26.74127 677.2850      40.12150 657.1044       35.87032 222.3421 6.701502 219.3436 6.073329 2.998428       9.044085 
1 1 1 9   25 9  o 146.6057 5.335904 297.7339       20.97965 287.7194      30.75201 306.4529       28.69417 144.0992 7.925533 149.1121 7.146566 -5.012863      10.67181 
1 1 1 9   25 10 o 28.00224 9.400931 -28.48306      19.49099 -43.68536     28.58742 -15.27754      26.64392 25.95751 12.64966 30.04697 13.91029 -4.089460      18.80186 
1 1 1 9   25 11 o 44.66632 12.04808 29.06661       20.92105 13.89187      32.29770 40.03666       27.46094 40.03352 17.05315 49.29912 17.02395 -9.265606      24.09616 
1 1 1 9   25 12 o 38.59113 12.98401 -11.72136      32.31406 -16.22066     37.62727 0.9212894      63.07377 33.75942 15.91879 43.42285 20.51657 -9.663433      25.96801 
1 1 1 9   27 0  o 108.1502 9.210926 161.2913       26.82342 161.2913      26.82342 0.000000       0.000000 108.1502 9.210926 ?        ?        ?              ?        
1 1 1 9   27 1  f 102.8934 8.206402 146.1669       20.84334 142.2243      24.81460 155.6135       38.41067 101.4196 9.086614 104.3673 13.66798 -2.947655      16.41280 
1 1 1 9   27 2  o 37.21213 11.41245 2.451019       19.51980 5.688639      22.87990 -6.207848      37.41724 34.88854 14.57857 39.53571 17.56249 -4.647167      22.82489 
1 1 1 9   27 3  o 191.7024 5.218893 496.1188       25.84604 479.6758      32.05729 526.6602       43.68975 187.6262 6.345268 195.7787 8.287638 -8.152481      10.43779 
1 1 1 9   27 4  o 45.69051 12.02421 26.92542       20.12498 35.55751      24.48104 8.932576       35.34449 49.23013 16.06637 42.15088 17.89408 7.079247       24.04842 
1 1 1 9   27 5  o 116.8814 7.447119 200.9603       22.32296 236.4658      29.44662 152.9847       34.22933 130.5374 8.377551 103.2254 12.31483 27.31198       14.89424 
1 1 1 9   27 6  o 39.51197 11.56455 12.50063       20.02959 11.68415      27.22745 13.46362       29.56953 38.67402 16.00994 40.34992 16.69243 -1.675900      23.12910 
1 1 1 9   27 7  o 164.6610 5.262296 378.2407       23.16491 366.9366      34.56714 387.4556       31.20978 162.0699 7.920958 167.2521 6.930039 -5.182251      10.52459 
1 1 1 9   27 8  o 72.34657 10.62139 81.73067       19.75402 100.1545      31.34857 69.59699       25.44044 78.85806 15.31552 65.83509 14.72041 13.02296       21.24278 
1 1 1 9   27 9  o 69.73479 11.34656 85.68266       20.73519 74.94709      32.46827 93.07683       26.94581 63.60727 18.09484 75.86230 13.69507 -12.25503      22.69312 
1 1 1 9   29 0  o 61.87064 10.89164 66.91259       20.31504 89.43654      24.66530 19.40735       35.82077 78.94640 11.60301 44.79488 18.43588 34.15152       21.78329 
1 1 1 9   29 1  o 94.15694 9.788691 145.2470       21.46344 178.4020      27.34082 91.99863       34.64894 112.6949 9.009984 75.61899 17.38085 37.07590       19.57738 
1 1 1 9   29 2  o 48.64542 12.14784 36.38552       19.72566 39.38219      24.98230 31.42406       32.14531 50.04012 16.22459 47.25071 18.08433 2.789410       24.29569 
1 1 1 9   29 3  o 110.0592 8.365062 186.4643       22.79325 205.7045      28.39012 151.5705       38.23283 120.5654 8.745028 99.55305 14.26259 21.01233       16.73012 
1 1 1 9   29 4  f 80.69650 11.80844 128.5228       24.00156 157.5481      28.71507 61.23083       43.72231 104.0349 10.25056 57.35810 21.27634 46.67680       23.61687 
1 1 1 9   29 5  o 49.71433 12.90557 45.35031       24.05344 56.92552      29.16285 20.72013       42.54018 56.05931 17.45257 43.36936 19.01638 12.68995       25.81114 
1 1 1 9   29 6  o 39.79646 12.03765 16.40840       22.04621 8.693101      27.47346 30.36125       36.94609 35.28445 15.38144 44.30847 18.52111 -9.024021      24.07531 
1 1 1 9   31 0  o 63.72044 13.14154 74.05646       23.25949 61.98469      29.06181 95.56895       38.79562 57.96701 17.30182 69.47387 19.78504 -11.50686      26.28309 
1 1 1 10  0  0  f 971.3186 14.57615 12732.60       380.8409 12758.05      539.7522 12707.37       537.4361 972.2839 20.63762 970.3533 20.58994 -0.000000      0.000000 
1 1 1 10  0  1  o 1918.804 28.76391 49873.83       1484.641 49880.86      2099.698 49866.81       2099.500 1918.940 40.67734 1918.669 40.67928 -0.000000      0.000000 
1 1 1 10  0  2  o 418.1116 6.559275 2357.553       73.76289 2370.545      104.7675 2344.781       103.8712 419.2544 9.290675 416.9688 9.261734 -0.000000      0.000000 
1 1 1 10  0  3  f 514.7030 7.956555 3571.571       110.1105 3636.629      158.4062 3510.746       153.1655 519.2347 11.34209 510.1714 11.16172 -0.000000      0.000000 
1 1 1 10  0  4  o 452.9189 7.129782 2762.909       86.74256 2684.630      119.0835 2851.391       126.6069 446.0998 9.924801 459.7380 10.23882 -0.000000      0.000000 
1 1 1 10  0  5  f 492.1425 7.690290 3263.646       101.6590 3165.247      139.4412 3375.282       148.5232 484.2467 10.70583 500.0381 11.04298 -0.000000      0.000000 
1 1 1 10  0  6  o 606.8196 9.344503 4976.835       152.4907 4917.285      213.0453 5039.395       218.3617 603.1087 13.13282 610.5305 13.29692 -0.000000      0.000000 
1 1 1 10  0  7  o 69.34332 9.136545 71.29355       15.29812 71.11345      21.09679 71.49327       22.21621 69.45957 12.47728 69.22707 13.35003 -0.000000      0.000000 
1 1 1 10  0  8  o 35.02413 12.39072 20.48101       16.27853 39.25755      23.62424 3.506026       22.46233 45.16177 19.15926 24.88649 15.71758 -0.000000      0.000000 
1 1 1 10  0  9  o 207.7948 5.072629 584.2527       28.29960 589.6860      40.52133 579.0793       39.54008 208.7326 7.229239 206.8569 7.117891 -0.000000      0.000000 
1 1 1 10  0  10 f 106.5043 6.955299 158.4113       19.32204 143.5059      28.50871 171.0756       26.27834 101.4403 10.71035 111.5683 8.876548 -0.000000      0.000000 
1 1 1 10  0  11 o 369.4531 6.460815 1844.255       64.18214 1823.220      90.58955 1865.455       90.94600 367.3290 9.171739 371.5771 9.102074 -0.000000      0.000000 
1 1 1 10  0  12 o 257.4911 5.769259 896.1929       39.88123 902.0888      57.57768 890.7554       55.29284 258.2888 8.298160 256.6935 8.017354 -0.000000      0.000000 
1 1 1 10  0  13 o 429.8557 7.320341 2496.779       84.60996 2493.370      120.4954 2500.096       118.8350 429.5538 10.43154 430.1576 10.27290 -0.000000      0.000000 
1 1 1 10  0  14 f 409.6380 7.187106 2270.397       79.14474 2235.184      112.6009 2304.781       111.2661 406.4658 10.30305 412.8102 10.02324 -0.000000      0.000000 
1 1 1 10  0  15 o 178.6011 7.166078 442.2994       33.41746 396.4500      51.35254 475.9766       44.01114 170.0670 11.32933 187.1353 8.778216 -0.000000      0.000000 
1 1 1 10  0  16 o 278.2431 6.857506 1045.382       50.36549 1075.511      79.31711 1025.026       65.19626 281.4214 10.50028 275.0649 8.823022 -0.000000      0.000000 
1 1 1 10  0  17 o 33.84788 16.38774 -40.15951      37.99371 10.67577      74.72247 -57.88491      44.12317 44.35333 28.27851 23.34242 16.56979 -0.000000      0.000000 
1 1 1 10  0  18 o 264.6431 11.78100 882.8376       71.90785 1122.469      151.5871 813.2579       81.68309 285.0230 19.97685 244.2631 12.49372 -0.000000      0.000000 
1 1 1 10  0  19 o 50.48130 19.81848 50.61825       46.06142 -67.78844     104.9809 78.84708       51.25884 40.05848 27.80834 60.90413 28.24509 -0.000000      0.000000 
1 1 1 10  0  20 o 61.17046 23.04164 74.14893       45.68769 126.3999      91.55862 56.82470       52.72048 71.73933 36.99397 50.60159 27.47935 -0.000000      0.000000 
1 1 1 10  0  21 o 61.86242 21.26288 96.61849       45.66152 59.75878      80.48441 114.1135       55.44893 50.67069 30.98343 73.05415 29.12847 -0.000000      0.000000 
1 1 1 10  0  22 o 36.52823 17.08512 13.42747       44.33818 -21.31341     78.24651 29.85808       53.81105 34.61527 24.02444 38.44120 24.29882 -0.000000      0.000000 
1 1 1 10  2  0  o 1068.881 11.30746 15400.93       325.3830 15592.57      465.6908 15218.14       454.8237 1075.367 16.08266 1062.395 15.89915 12.97192       22.61492 
1 1 1 10  2  1  o 634.0125 6.788626 5413.420       115.8772 5472.468      165.6165 5356.793       162.1875 637.3972 9.649619 630.6278 9.551262 6.769409       13.57725 
1 1 1 10  2  2  o 1586.484 16.78105 33976.28       716.5296 34653.91      1032.650 33347.09       995.0472 1601.684 23.94380 1571.285 23.51826 30.39844       33.56210 
1 1 1 10  2  3  o 987.4227 10.48073 13143.54       278.5748 13352.39      400.0571 12946.95       388.1417 995.0221 14.93158 979.8234 14.71157 15.19873       20.96145 
1 1 1 10  2  4  o 1288.273 13.66853 22439.94       474.1316 22554.87      673.8440 22327.25       667.2513 1291.527 19.37637 1285.020 19.28396 6.506958       27.33706 
1 1 1 10  2  5  o 208.7510 3.164461 586.9382       17.78627 586.4853      25.01062 587.4016       25.29904 208.6700 4.451241 208.8320 4.499078 -0.1619873     6.328921 
1 1 1 10  2  6  f 269.9277 3.533910 981.7599       25.68516 980.7005      36.39257 982.8113       36.25642 269.7821 5.009752 270.0734 4.985627 -0.2912598     7.067821 
1 1 1 10  2  7  o 127.8063 3.851123 220.2854       13.24297 209.2926      18.65112 231.4623       18.80662 124.5861 5.559709 131.0266 5.330501 -6.440521      7.702246 
1 1 1 10  2  8  o 275.7111 3.712495 1025.307       27.56144 1028.431      39.03979 1022.204       38.91603 276.1297 5.250624 275.2925 5.249897 0.8371582      7.424990 
1 1 1 10  2  9  o 221.5561 3.576033 661.6863       21.32823 645.0305      29.76804 679.2557       30.57344 218.6928 5.055129 224.4194 5.059418 -5.726578      7.152065 
1 1 1 10  2  10 o 200.6056 3.692791 542.6639       19.94262 554.4984      28.15092 530.7411       28.25562 202.8052 5.155017 198.4060 5.288916 4.399200       7.385583 
1 1 1 10  2  11 o 451.4756 5.248601 2750.204       63.80123 2785.986      90.89203 2715.449       89.57941 454.3691 7.429056 448.5820 7.416225 5.787048       10.49720 
1 1 1 10  2  12 o 36.98337 10.30358 9.654116       15.33500 16.37512      21.38582 2.540762       22.00119 39.88112 14.86300 34.08561 14.27398 5.795509       20.60717 
1 1 1 10  2  13 o 343.1557 4.527516 1587.777       41.83250 1604.077      59.11893 1571.432       59.20134 344.9226 6.365339 341.3889 6.440191 3.533722       9.055032 
1 1 1 10  2  14 o 460.4957 5.461194 2863.449       67.67841 2815.362      93.85115 2915.547       97.68753 456.4889 7.635297 464.5025 7.810300 -8.013550      10.92239 
1 1 1 10  2  15 o 304.8466 4.503825 1255.818       36.95001 1284.979      51.83836 1225.699       52.68227 308.4653 6.241106 301.2279 6.495101 7.237427       9.007649 
1 1 1 10  2  16 o 98.80157 8.939233 133.1539       23.73010 132.7426      32.48565 133.6245       34.74725 98.68022 12.22582 98.92294 13.04488 -0.2427139     17.87847 
1 1 1 10  2  17 o 61.43264 13.44567 42.94533       28.45992 -1.662414     39.30847 92.09029       41.25917 43.18446 18.61209 79.68082 19.40963 -36.49636      26.89134 
1 1 1 10  2  18 o 178.9098 14.43532 436.3535       69.54152 0.000000      0.000000 436.3535       69.54152 ?        ?        178.9098 14.43532 ?              ?        
1 1 1 10  2  19 o 261.7035 6.651130 944.2863       46.84946 958.7778      65.65262 929.2502       66.87455 263.8558 9.240640 259.5512 9.568734 4.304596       13.30226 
1 1 1 10  2  20 o 90.48859 13.94817 129.9963       33.89944 94.21792      49.02862 162.7672       46.92278 75.93470 22.42748 105.0425 16.58958 -29.10778      27.89634 
1 1 1 10  2  21 o 108.9732 11.21334 181.0479       32.87288 171.3627      45.53410 191.5906       47.50717 105.8365 15.97784 112.1099 15.73736 -6.273399      22.42668 
1 1 1 10  2  22 o 54.94446 14.48770 53.13265       31.26623 88.29140      44.38769 18.50914       44.04852 66.09801 21.63692 43.79090 19.27219 22.30711       28.97540 
1 1 1 10  4  0  o 560.7474 6.025905 4235.039       90.98542 4243.503      128.8497 4226.622       128.4967 561.3061 8.525113 560.1887 8.518718 1.117432       12.05181 
1 1 1 10  4  1  o 853.3600 9.063326 9811.775       208.2392 9732.392      292.0925 9893.825       296.9572 849.8534 12.76418 856.8666 12.87055 -7.013184      18.12665 
1 1 1 10  4  2  o 524.2684 5.686021 3701.867       80.26494 3727.010      114.1760 3677.301       112.8590 526.0277 8.060887 522.5091 8.021561 3.518616       11.37204 
1 1 1 10  4  3  o 1010.742 10.72804 13780.55       291.9295 13933.99      417.2710 13633.44       408.5678 1016.241 15.24889 1005.243 15.09419 10.99805       21.45607 
1 1 1 10  4  4  o 1014.332 10.79032 13896.18       294.6159 14122.36      423.2307 13683.54       410.3666 1022.309 15.37488 1006.355 15.14388 15.95337       21.58064 
1 1 1 10  4  5  o 605.1002 6.563703 4939.675       106.9029 5029.084      153.8069 4856.117       148.6901 610.3818 9.358168 599.8185 9.206165 10.56323       13.12741 
1 1 1 10  4  6  o 512.6301 5.670134 3547.299       78.26448 3573.216      111.2716 3521.923       110.1030 514.4808 8.032149 510.7794 8.005389 3.701416       11.34027 
1 1 1 10  4  7  o 328.6860 4.026561 1457.043       35.63117 1460.448      49.97932 1453.524       50.81115 329.0818 5.640312 328.2903 5.748012 0.7915344      8.053122 
1 1 1 10  4  8  o 391.0506 4.597179 2064.262       48.40094 2055.958      67.85683 2072.862       69.05749 390.2572 6.457422 391.8440 6.545068 -1.586823      9.194358 
1 1 1 10  4  9  o 169.4873 3.881119 386.5764       17.63019 378.6118      23.70581 396.4336       26.37254 167.5516 5.254396 171.4230 5.713462 -3.871399      7.762238 
1 1 1 10  4  10 o 108.9646 5.241585 160.6976       15.23461 163.6209      20.30807 156.9351       23.03948 110.1213 6.848793 107.8079 7.936680 2.313431       10.48317 
1 1 1 10  4  11 o 163.8927 4.356555 353.4984       18.92936 315.2353      24.30619 412.4756       30.17652 152.9041 5.903566 174.8814 6.408292 -21.97726      8.713111 
1 1 1 10  4  12 o 560.1625 6.308136 4233.955       95.12127 4330.132      136.4962 4143.148       132.6307 566.3388 8.950777 553.9861 8.891228 12.35272       12.61627 
1 1 1 10  4  13 o 191.2892 4.531122 492.0647       23.13318 483.7728      30.62339 503.0851       35.30418 189.4347 6.003580 193.1436 6.788321 -3.708908      9.062243 
1 1 1 10  4  14 o 215.6479 4.588555 627.1279       26.45682 622.5851      35.31961 632.9357       39.93531 214.7914 6.106827 216.5045 6.850256 -1.713074      9.177110 
1 1 1 10  4  15 o 118.7880 6.860178 186.8602       21.65618 163.3372      28.01248 221.8040       34.14208 109.7396 9.479918 127.8364 9.918634 -18.09679      13.72036 
1 1 1 10  4  16 o 191.6861 6.002988 500.3408       30.45478 511.1715      39.82170 485.0804       47.26851 194.3234 7.610465 189.0487 9.285704 5.274750       12.00598 
1 1 1 10  4  17 o 209.1122 6.589198 600.8135       35.88554 615.1924      45.64079 577.5311       58.07705 212.7696 7.966366 205.4548 10.49796 7.314758       13.17840 
1 1 1 10  4  18 o 42.72610 14.09990 -53.52477      39.62096 -72.60857     52.61457 -28.52784      60.21671 37.49174 17.99638 47.96048 21.71080 -10.46874      28.19980 
1 1 1 10  4  19 o 208.5816 7.439620 606.0939       41.71579 596.3639      57.19920 617.1495       60.97137 206.9694 10.26362 210.1938 10.77265 -3.224396      14.87924 
1 1 1 10  4  20 f 118.3819 10.77934 205.1670       34.22767 182.5659      46.65713 231.5038       50.36581 111.1283 15.59230 125.6354 14.88813 -14.50716      21.55867 
1 1 1 10  4  21 o 54.60296 15.29125 43.92442       33.13629 35.72120      43.81953 54.88032       50.64065 51.22417 20.64568 57.98175 22.56203 -6.757576      30.58250 
1 1 1 10  4  22 o 82.17483 13.61411 130.1793       31.46515 169.4935      43.68074 87.77695       45.36385 100.1861 16.19196 64.16360 21.89055 36.02245       27.22822 
1 1 1 10  6  0  o 1569.388 16.60291 33265.38       701.5439 32996.88      983.8572 33543.11       1000.621 1562.968 23.37752 1575.807 23.58214 -12.83850      33.20581 
1 1 1 10  6  1  o 501.2317 5.444476 3383.760       73.47816 3371.648      103.3479 3396.140       104.4891 500.3255 7.671241 502.1379 7.727959 -1.812378      10.88895 
1 1 1 10  6  2  o 913.7983 9.712804 11256.29       238.8955 11461.33      343.7222 11064.69       332.2675 921.8309 13.84755 905.7657 13.62350 16.06525       19.42561 
1 1 1 10  6  3  o 314.3659 3.720419 1330.756       31.48832 1349.602      44.99570 1312.669       44.08082 316.5461 5.278987 312.1856 5.243887 4.360474       7.440837 
1 1 1 10  6  4  o 760.5223 8.157474 7813.040       167.0081 7929.285      239.5222 7703.054       232.9837 766.0073 11.61260 755.0373 11.45971 10.96997       16.31495 
1 1 1 10  6  5  o 376.8474 4.364699 1914.434       44.28767 1938.699      62.95375 1890.659       62.31559 379.2120 6.165327 374.4829 6.179899 4.729095       8.729399 
1 1 1 10  6  6  f 163.2091 3.416153 358.8288       15.00038 354.0949      20.73646 364.0250       21.72558 162.0837 4.751292 164.3345 4.909749 -2.250717      6.832306 
1 1 1 10  6  7  o 335.9778 4.140179 1523.024       37.44921 1512.342      52.41750 1534.161       53.52214 334.7800 5.814782 337.1757 5.895135 -2.395752      8.280357 
1 1 1 10  6  8  o 393.3297 4.649810 2088.621       49.22991 2078.664      68.66235 2099.154       70.62223 392.3783 6.498757 394.2810 6.651999 -1.902710      9.299621 
1 1 1 10  6  9  o 172.8106 3.899586 403.3482       18.03954 409.0777      24.33010 396.3526       26.88421 174.1913 5.187211 171.4299 5.824081 2.761459       7.799171 
1 1 1 10  6  10 o 57.38494 9.327018 50.69771       15.27780 72.61403      19.54696 16.28976       24.49203 73.28880 9.905087 41.48109 15.80703 31.80770       18.65404 
1 1 1 10  6  11 o 236.8994 4.177320 757.7595       26.55782 772.2707      36.30867 741.0629       38.94679 239.3566 5.633544 234.4422 6.169537 4.914383       8.354640 
1 1 1 10  6  12 o 207.1403 4.303528 578.6380       23.84989 580.4157      31.99813 576.4159       35.77464 207.5136 5.726571 206.7669 6.425557 0.7466278      8.607056 
1 1 1 10  6  13 o 221.8142 4.579320 664.4199       27.07780 669.7153      35.92554 657.4545       41.20204 222.8669 5.986518 220.7616 6.931254 2.105331       9.158640 
1 1 1 10  6  14 o 287.8643 4.627119 1122.068       35.62710 1147.905      48.02052 1090.435       53.13552 291.6147 6.115529 284.1139 6.945589 7.500854       9.254237 
1 1 1 10  6  15 f 444.7986 5.652621 2676.948       67.48037 2663.770      91.69798 2692.515       99.66199 443.6989 7.675170 445.8983 8.300617 -2.199402      11.30524 
1 1 1 10  6  16 o 93.75741 12.47250 114.8938       29.90013 88.65992      36.83342 165.5842       51.20041 78.35768 17.85529 109.1571 17.41959 -30.79945      24.94501 
1 1 1 10  6  17 o 277.2021 8.283778 1050.977       61.83130 1050.977      61.83130 0.000000       0.000000 277.2021 8.283778 ?        ?        ?              ?        
1 1 1 10  6  18 o 148.0658 9.837223 326.0013       37.12700 346.1027      46.73520 291.6141       61.12653 156.3959 11.09776 139.7357 16.24573 16.66028       19.67445 
1 1 1 10  6  19 o 130.0074 10.56072 245.2070       36.43768 257.0067      48.50216 229.9190       55.20797 134.4517 13.39712 125.5631 16.32888 8.888588       21.12144 
1 1 1 10  6  20 o 46.29604 14.20171 4.381372       32.04907 -12.03284     40.47567 31.96885       52.47350 38.90816 17.68646 53.68391 22.22484 -14.77575      28.40342 
1 1 1 10  6  21 o 104.2605 13.62434 191.1760       35.77890 226.8248      47.01933 142.1424       55.14442 121.7826 14.33864 86.73843 23.17098 35.04414       27.24869 
1 1 1 10  6  22 o 98.92031 11.71774 168.1626       30.41725 190.8689      45.04121 149.1248       41.24237 106.2867 15.73794 91.55393 17.36488 14.73276       23.43548 
1 1 1 10  8  0  o 574.3550 8.744917 4444.367       135.2445 4444.367      135.2445 0.000000       0.000000 574.3550 8.744917 ?        ?        ?              ?        
1 1 1 10  8  1  o 547.8638 5.931778 4044.511       87.50465 4033.397      123.2695 4055.801       124.2367 547.1063 8.367590 548.6213 8.409960 -1.514954      11.86356 
1 1 1 10  8  2  o 1066.919 11.36290 15398.23       326.4031 15264.75      457.4673 15536.64       465.8544 1062.234 15.99397 1071.604 16.14480 -9.369263      22.72579 
1 1 1 10  8  3  o 739.7872 7.943062 7396.506       158.2240 7423.938      224.4711 7369.419       223.0606 741.1467 11.24794 738.4277 11.21842 2.718933       15.88612 
1 1 1 10  8  4  o 301.2094 3.734059 1219.541       30.20192 1181.368      40.96422 1265.002       44.70436 296.0679 5.138424 306.3508 5.419353 -10.28293      7.468118 
1 1 1 10  8  5  o 153.1472 4.780460 316.1317       19.71342 0.000000      0.000000 316.1317       19.71342 ?        ?        153.1472 4.780460 ?              ?        
1 1 1 10  8  6  o 260.5997 3.620410 904.3499       25.11272 844.9161      32.70357 989.7542       39.20295 250.3199 4.851951 270.8796 5.374760 -20.55968      7.240820 
1 1 1 10  8  7  o 148.9233 3.929942 300.8747       15.51585 309.5938      20.40519 288.9232       23.89003 151.5231 5.001247 146.3235 6.063440 5.199570       7.859884 
1 1 1 10  8  8  o 342.0849 4.345525 1577.454       39.94398 1561.910      54.62587 1595.316       58.55750 340.2946 5.961560 343.8752 6.324094 -3.580566      8.691051 
1 1 1 10  8  9  o 410.8086 4.963115 2274.673       54.77302 2244.908      74.73125 2309.221       80.51299 407.9341 6.803446 413.6831 7.227943 -5.749054      9.926229 
1 1 1 10  8  10 o 176.9771 4.496613 425.0566       20.78381 433.7400      26.50363 411.1887       33.49396 179.3771 5.487251 174.5771 7.125180 4.800049       8.993226 
1 1 1 10  8  11 o 232.4518 4.367325 735.3922       26.80972 767.8805      35.11677 689.9993       41.50929 238.6980 5.463645 226.2055 6.814887 12.49242       8.734650 
1 1 1 10  8  12 o 219.2673 4.700330 647.6008       27.13479 644.8569      34.85679 651.8214       43.22975 218.7149 5.918690 219.8197 7.303528 -1.104767      9.400661 
1 1 1 10  8  13 o 236.9831 4.788992 754.8061       29.83011 742.6201      38.09497 774.1217       47.96117 234.5921 6.030744 239.3742 7.440960 -4.782166      9.577984 
1 1 1 10  8  14 o 283.0894 4.906137 1072.166       36.50808 1034.540      46.44220 1133.024       59.06470 276.7623 6.231929 289.4165 7.579166 -12.65417      9.812273 
1 1 1 10  8  15 o 175.7990 6.841657 418.2184       30.93089 415.0599      38.36275 424.0860       52.28853 175.0661 8.138126 176.5319 11.00018 -1.465866      13.68331 
1 1 1 10  8  16 o 102.8666 12.52350 154.8183       32.05536 168.9145      40.55208 131.3400       52.33562 110.9113 13.57856 94.82184 21.04697 16.08949       25.04700 
1 1 1 10  8  17 o 163.3663 11.45714 361.0035       48.80720 348.9106      61.31767 381.9128       80.62876 159.9759 14.23468 166.7568 17.95655 -6.780975      22.91427 
1 1 1 10  8  18 o 155.0513 14.71319 342.4957       61.42787 0.000000      0.000000 342.4957       61.42787 ?        ?        155.0513 14.71319 ?              ?        
1 1 1 10  8  19 o 171.9086 8.443501 408.0895       38.29625 376.0584      48.75542 459.6848       61.87882 163.8419 11.05133 179.9753 12.76867 -16.13348      16.88700 
1 1 1 10  8  20 o 60.49750 15.11186 61.38570       32.92020 81.38353      41.07606 25.47466       55.04417 69.22090 20.54882 51.77409 22.16345 17.44681       30.22371 
1 1 1 10  8  21 o 60.82188 15.20035 73.29945       31.88690 84.40995      41.58607 57.44703       49.67399 66.26301 20.87561 55.38076 22.10003 10.88224       30.40069 
1 1 1 10  10 0  o 193.6469 3.882084 518.1960       17.79077 533.3601      20.86375 477.7903       34.05704 199.0038 3.893566 188.2900 6.717324 10.71384       7.764168 
1 1 1 10  10 1  o 146.9428 4.512104 299.9085       13.09742 304.2582      14.34722 278.1551       32.08512 150.3006 3.545060 143.5849 8.298728 6.715729       9.024208 
1 1 1 10  10 2  o 190.0117 2.927985 486.1036       14.89614 483.7946      20.00750 488.9755       22.31328 189.5116 3.920789 190.5117 4.349689 -1.000092      5.855970 
1 1 1 10  10 3  o 433.6664 4.890572 2538.053       57.10526 2555.534      80.53773 2520.378       80.98216 435.1746 6.873097 432.1583 6.959261 3.016266       9.781144 
1 1 1 10  10 4  o 199.2271 3.374254 537.5005       17.86526 551.3261      23.61438 518.9965       27.31918 202.2581 4.335980 196.1960 5.171232 6.062027       6.748508 
1 1 1 10  10 5  o 375.1195 4.516713 1900.930       45.59180 1951.607      63.92511 1848.466       65.04248 380.2340 6.243629 370.0049 6.528391 10.22910       9.033426 
1 1 1 10  10 6  o 259.8107 3.934181 910.6174       26.99933 910.1677      34.94010 911.2839       42.53654 259.7845 4.994909 259.8370 6.079639 -0.5252075E-01 7.868363 
1 1 1 10  10 7  o 531.6128 6.040993 3818.910       86.45702 3924.324      122.8125 3715.343       121.7320 538.9036 8.463465 524.3220 8.622305 14.58167       12.08199 
1 1 1 10  10 8  o 108.3324 6.745763 166.8267       17.05908 176.2545      20.02472 141.8799       32.57397 114.3143 6.505526 102.3505 11.81945 11.96381       13.49153 
1 1 1 10  10 9  o 165.5705 4.928073 373.0233       20.65241 379.4280      25.33537 360.3388       35.65468 167.7659 5.608414 163.3750 8.104896 4.390884       9.856147 
1 1 1 10  10 10 o 459.1375 5.581641 2846.667       68.79803 2877.155      93.99947 2811.495       100.9636 461.8280 7.558955 456.4471 8.214686 5.380920       11.16328 
1 1 1 10  10 11 o 116.5151 7.066052 191.6249       19.59795 202.2063      23.23694 165.5522       36.47541 122.4416 7.048009 110.5886 12.24916 11.85302       14.13210 
1 1 1 10  10 12 o 161.7024 6.012705 355.6217       23.73328 358.4193      28.20961 348.8447       43.90670 162.9523 6.429144 160.4525 10.16251 2.499786       12.02541 
1 1 1 10  10 13 o 405.6341 5.534435 2226.413       59.46191 2228.790      77.44734 2223.001       92.80438 406.0735 7.083021 405.1947 8.505921 0.8787842      11.06887 
1 1 1 10  10 14 o 304.8764 6.032881 1253.596       45.53467 1245.528      54.48719 1272.277       82.91184 303.6081 6.664961 306.1447 10.05788 -2.536621      12.06576 
1 1 1 10  10 15 o 111.9473 11.82185 154.0580       33.03603 124.9087      38.81541 230.6685       62.92655 95.19123 15.14341 128.7034 18.15769 -33.51215      23.64370 
1 1 1 10  10 16 o 399.6227 7.869810 2128.073       76.78555 2072.557      90.55663 2270.112       144.8482 391.2701 8.595284 407.9753 13.18547 -16.70526      15.73962 
1 1 1 10  10 17 o 48.81461 15.10035 0.4302168      37.72024 19.93249      45.43081 -42.84909      67.67807 50.58872 20.78443 47.04049 21.91095 3.548237       30.20070 
1 1 1 10  10 18 o 159.4533 9.965072 361.6170       39.71592 359.2376      48.03833 366.7561       70.59824 160.3453 11.12624 158.5614 16.53534 1.783905       19.93014 
1 1 1 10  10 19 f 86.47777 16.14291 120.0754       34.94694 109.2395      40.79579 149.9476       67.73586 82.57343 18.77308 90.38211 26.26681 -7.808678      32.28581 
1 1 1 10  10 20 o 68.98768 16.20088 80.81049       34.01643 56.22185      41.52216 130.9928       59.31818 57.03578 20.80464 80.93958 24.84031 -23.90380      32.40176 
1 1 1 10  10 21 o 69.04624 13.95399 93.28212       27.51622 112.1442      40.40359 76.96642       37.57755 76.19061 19.58608 61.90187 19.88067 14.28875       27.90799 
1 1 1 10  12 0  o 293.7476 5.601360 1164.513       44.26342 1178.677      64.16329 1151.652       61.14180 295.4352 8.065680 292.0600 7.774685 3.375275       11.20272 
1 1 1 10  12 1  o 184.5556 5.439637 460.5633       26.94106 451.5486      39.54552 468.3709       36.80298 182.8436 8.032196 186.2676 7.337739 -3.424057      10.87927 
1 1 1 10  12 2  o 147.3222 4.748060 286.9306       13.22218 284.5476      14.26321 301.4906       35.25641 145.3242 3.644989 149.3203 8.768715 -3.996109      9.496120 
1 1 1 10  12 3  o 67.81209 8.864735 69.73013       7.253963 70.51384      7.470490 56.79548       30.34927 72.33403 3.835510 63.29014 17.30962 9.043892       17.72947 
1 1 1 10  12 4  o 340.6794 5.323306 1558.193       44.12476 1545.075      52.11519 1591.407       82.92471 338.4179 5.719098 342.9408 8.980103 -4.522888      10.64661 
1 1 1 10  12 5  o 590.3281 9.161579 4713.485       145.6288 4713.485      145.6288 0.000000       0.000000 590.3281 9.161579 ?        ?        ?              ?        
1 1 1 10  12 6  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 7  o 170.6954 5.541680 391.6088       20.36900 390.4910      22.75765 396.1111       45.67174 170.2173 4.965242 171.1735 9.908948 -0.9562225     11.08336 
1 1 1 10  12 8  o 193.7038 5.365232 528.5609       24.13178 552.6516      28.15758 461.9167       46.83300 202.4991 5.164030 184.9084 9.406150 17.59068       10.73046 
1 1 1 10  12 9  o 85.94933 10.81537 120.9120       18.54827 133.0695      20.81499 74.03458       40.87288 99.31462 7.783584 72.58405 20.18180 26.73058       21.63075 
1 1 1 10  12 10 o 207.5081 9.560349 581.6550       53.41856 0.000000      0.000000 581.6550       53.41856 ?        ?        207.5081 9.560349 ?              ?        
1 1 1 10  12 11 o 126.7830 7.909001 228.0164       22.65763 237.2383      26.08635 199.6898       45.71945 132.5226 7.310380 121.0433 14.02738 11.47926       15.81800 
1 1 1 10  12 12 o 276.5302 5.445067 1029.007       37.61883 1020.186      45.31987 1048.552       67.45912 274.8693 6.123207 278.1910 9.005630 -3.321716      10.89013 
1 1 1 10  12 13 o 101.4197 10.75376 125.3491       26.03694 109.5061      29.76885 176.9203       53.70889 89.63165 12.33438 113.2078 17.61921 -23.57616      21.50752 
1 1 1 10  12 14 o 79.19794 16.05149 82.04723       32.92352 69.23615      38.44550 117.2838       63.76017 69.34412 19.67732 89.05175 25.36541 -19.70763      32.10298 
1 1 1 10  12 15 o 91.22024 17.05439 103.7136       39.44753 69.49094      45.61901 205.1527       78.54019 68.50624 21.89464 113.9342 26.15403 -45.42799      34.10877 
1 1 1 10  12 16 o 159.1227 11.51018 387.3912       44.27246 389.8215      52.69340 381.5575       81.63951 164.3574 11.90648 153.8879 19.70210 10.46953       23.02036 
1 1 1 10  12 17 o 50.93108 15.62652 -20.52954      37.36506 -53.33442     43.98306 64.54424       70.82948 34.26760 16.45019 67.59455 26.57336 -33.32695      31.25304 
1 1 1 10  12 18 o 62.81950 16.36973 48.47586       35.14111 23.34992      42.19180 105.3817       63.49584 48.73006 20.02635 76.90894 25.90014 -28.17888      32.73946 
1 1 1 10  12 19 o 47.25331 14.71469 -19.48969      34.64368 -56.49848     41.08468 71.57315       64.44632 31.21742 15.20233 63.28921 25.19876 -32.07178      29.42938 
1 1 1 10  12 20 o 53.61209 15.80309 55.90069       36.27876 55.59094      42.68643 56.70639       68.84534 53.49382 20.74252 53.73036 23.84742 -0.2365379     31.60619 
1 1 1 10  14 0  o 392.4978 6.731421 2084.202       71.10006 2013.145      98.53646 2161.382       102.6937 385.5337 9.491858 399.4619 9.547397 -13.92819      13.46284 
1 1 1 10  14 1  o 470.2564 7.712432 2998.719       97.64416 3001.266      139.3073 2996.258       136.9034 470.4247 10.99767 470.0881 10.81563 0.3365784      15.42486 
1 1 1 10  14 2  o 372.6981 5.268191 1870.219       44.26099 1864.489      50.30029 1889.875       93.16261 371.8192 5.024065 373.5770 9.261432 -1.757813      10.53638 
1 1 1 10  14 3  o 347.6776 5.437686 1617.811       46.50901 1596.893      55.29386 1668.404       85.99373 344.0812 5.968052 351.2740 9.091538 -7.192841      10.87537 
1 1 1 10  14 4  o 246.5716 4.709512 800.4619       21.98967 792.6055      23.72064 848.4744       58.63987 242.5573 3.631855 250.5859 8.690663 -8.028610      9.419024 
1 1 1 10  14 5  o 455.1742 6.143227 2751.120       62.17744 2715.521      70.10487 2882.361       134.6059 448.7892 5.801261 461.5592 10.83062 -12.77002      12.28645 
1 1 1 10  14 6  f 334.1598 5.089514 1496.168       36.81400 1489.124      41.18393 1524.179       82.12241 332.4282 4.600940 335.8914 9.079866 -3.463226      10.17903 
1 1 1 10  14 7  o 99.83582 6.921107 105.5011       12.05383 97.97215      12.67070 177.2240       39.10782 85.25987 5.519156 114.4118 12.69432 -29.15189      13.84221 
1 1 1 10  14 8  o 34.81381 10.62256 4.556919       13.08533 7.408756      13.89925 -17.67604      38.80857 30.24382 11.80587 39.38380 17.66287 -9.139982      21.24513 
1 1 1 10  14 9  o 418.3943 5.957504 2327.617       55.17271 2301.112      62.12005 2426.629       120.0636 413.1667 5.583712 423.6219 10.52566 -10.45520      11.91501 
1 1 1 10  14 10 o 115.4803 7.581727 174.3488       17.02903 171.5474      18.45218 190.4373       44.21950 112.7479 6.077933 118.2127 13.89205 -5.464798      15.16345 
1 1 1 10  14 11 o 279.3510 5.240239 1052.875       31.44237 1051.255      35.11575 1059.425       70.61281 279.1850 4.671179 279.5170 9.381925 -0.3319702     10.48048 
1 1 1 10  14 12 o 380.5233 6.519307 1949.214       61.12527 1928.777      72.81495 1997.985       112.4824 377.6977 7.159667 383.3489 10.89700 -5.651215      13.03861 
1 1 1 10  14 13 o 312.4054 6.637671 1286.944       50.42348 1237.796      59.14602 1417.695       96.46996 302.3815 7.264184 322.4292 11.11154 -20.04773      13.27534 
1 1 1 10  14 14 o 320.7515 7.629962 1328.514       58.71411 1240.011      67.92767 1589.992       116.7581 301.9268 8.355292 339.5762 12.76927 -37.64941      15.25992 
1 1 1 10  14 15 o 194.0639 9.678987 555.1530       45.98523 556.2789      54.99046 552.5346       83.85909 198.0191 10.31328 190.1086 16.38192 7.910507       19.35797 
1 1 1 10  14 16 o 83.85582 16.43768 117.9860       37.51268 125.5299      45.17467 101.2301       67.32597 89.98640 19.22736 77.72525 26.66642 12.26115       32.87535 
1 1 1 10  14 17 o 149.8576 11.00636 329.5007       39.72601 326.7008      46.87528 336.6377       74.83858 151.7920 11.46863 147.9232 18.78910 3.868881       22.01272 
1 1 1 10  14 18 o 53.11442 15.02839 39.53487       33.38045 53.96244      39.60809 4.167715       62.01363 57.39465 20.39754 48.83419 22.07602 8.560463       30.05679 
1 1 1 10  14 19 o 41.12558 13.64065 -22.71793      32.78984 -46.76683     38.37766 42.30260       63.10388 30.15273 14.68584 52.09842 22.99121 -21.94569      27.28130 
1 1 1 10  16 0  o 156.3909 5.094390 338.1142       15.11536 341.4782      16.39289 319.0201       39.05497 159.1996 3.824107 153.5823 9.443910 5.617325       10.18878 
1 1 1 10  16 1  o 146.1649 4.966505 286.9082       13.14800 286.4225      14.09187 290.1738       36.54015 145.8131 3.589125 146.5166 9.261903 -0.7034149     9.933009 
1 1 1 10  16 2  o 550.2498 7.302763 3949.555       89.73461 3840.499      101.0115 4357.804       195.4377 533.5353 7.031116 566.9643 12.80175 -33.42902      14.60553 
1 1 1 10  16 3  o 196.6315 5.119568 547.2405       21.12445 563.7260      23.61621 481.2527       47.24885 204.5446 4.287843 188.7185 9.298080 15.82602       10.23914 
1 1 1 10  16 4  o 190.2249 4.933004 471.8926       18.27909 464.8906      19.81382 511.9108       47.36802 185.7659 3.961128 194.6839 9.035906 -8.918091      9.866009 
1 1 1 10  16 5  o 287.0569 5.321214 1103.631       36.71145 1094.102      43.01534 1129.183       70.43982 284.9163 5.606899 289.1976 9.045659 -4.281281      10.64243 
1 1 1 10  16 6  o 214.4507 5.707312 637.1367       28.96173 656.5266      33.97697 585.6121       55.38655 220.6991 5.717429 208.2024 9.879507 12.49667       11.41462 
1 1 1 10  16 7  o 178.3349 5.654986 473.1160       20.24447 498.9463      22.52504 364.5819       46.17256 192.4415 4.346938 164.2284 10.44125 28.21310       11.30997 
1 1 1 10  16 8  o 256.1375 5.114907 909.4266       27.26787 923.4144      30.28986 849.6329       62.62539 261.7401 4.297775 250.5349 9.283222 11.20512       10.22981 
1 1 1 10  16 9  o 129.8307 6.795615 206.3251       15.09165 200.3292      15.93164 258.7280       47.09926 121.8733 4.854772 137.7882 12.69459 -15.91491      13.59123 
1 1 1 10  16 10 o 257.6115 5.358681 899.4360       29.01145 900.3992      32.20146 895.2847       66.85398 258.3716 4.628576 256.8513 9.666341 1.520325       10.71736 
1 1 1 10  16 11 o 213.7587 6.840950 621.9984       37.36453 624.4847      46.14173 617.2625       63.68188 214.6936 7.981625 212.8237 11.11252 1.869919       13.68190 
1 1 1 10  16 12 o 258.0084 6.552187 911.9319       34.21205 915.9980      37.61830 892.4802       82.27845 260.4473 5.364089 255.5694 11.95622 4.877884       13.10437 
1 1 1 10  16 13 o 329.1942 8.300606 1451.511       68.27554 1419.195      82.01036 1524.493       123.2433 323.7967 9.406171 334.5916 13.67933 -10.79483      16.60121 
1 1 1 10  16 14 o 145.3929 10.44232 293.4932       28.65372 290.4527      30.96765 311.5880       75.54632 145.6803 7.894488 145.1055 19.33508 0.5747833      20.88464 
1 1 1 10  16 15 o 56.43039 15.57638 13.77196       26.54758 -0.9604560    28.79533 97.23905       68.53976 36.18588 15.76152 76.67490 26.87135 -40.48902      31.15277 
1 1 1 10  16 16 o 58.06676 15.61829 44.79298       26.78144 43.57932      28.89905 52.17570       71.27596 53.55385 17.45495 62.57967 25.90460 -9.025818      31.23657 
1 1 1 10  16 17 o 84.63693 14.97816 126.1023       27.85938 127.7668      30.19262 116.5642       72.27442 93.73488 11.96234 75.53899 27.46423 18.19588       29.95632 
1 1 1 10  16 18 o 62.46902 14.91233 75.03434       27.18940 75.25351      29.81813 73.95316       66.22787 66.18100 16.72520 58.75705 24.69369 7.423950       29.82467 
1 1 1 10  18 0  o 967.4578 10.46451 12704.84       272.4846 12481.24      378.6132 12945.09       392.4627 958.7076 14.66649 976.2079 14.93044 -17.50031      20.92902 
1 1 1 10  18 1  o 618.1273 6.803763 5159.296       113.2098 5080.410      157.8112 5242.936       162.4974 613.2753 9.556502 622.9793 9.687002 -9.704041      13.60753 
1 1 1 10  18 2  o 48.81023 5.814637 37.62081       6.640006 20.36615      10.98100 47.56622       8.336818 38.20895 10.39627 59.41153 5.211302 -21.20258      11.62927 
1 1 1 10  18 3  o 290.3719 3.781074 1135.644       29.55258 1112.712      41.12115 1160.140       42.50028 287.3437 5.314718 293.4001 5.379578 -6.056396      7.562148 
1 1 1 10  18 4  o 472.0288 6.718006 3047.218       80.85760 3131.607      100.2296 2889.940       136.8313 481.7661 7.726389 462.2915 10.99224 19.47455       13.43601 
1 1 1 10  18 5  o 552.0051 7.284648 4159.519       95.06496 4201.765      110.8805 4042.300       184.6960 557.9747 7.380017 546.0356 12.56184 11.93915       14.56930 
1 1 1 10  18 6  o 64.26598 13.68544 52.57966       29.43053 5.004297      43.02666 94.40904       40.34478 47.25987 19.88495 81.27207 18.80833 -34.01220      27.37088 
1 1 1 10  18 7  o 285.8949 5.871768 1102.224       42.89307 1093.571      52.79982 1119.019       73.55531 284.4842 6.892725 287.3055 9.507945 -2.821350      11.74354 
1 1 1 10  18 8  o 64.08270 12.30928 41.71775       15.80138 35.39692      16.83899 88.31680       45.72116 49.97647 12.53508 78.18893 21.18832 -28.21245      24.61855 
1 1 1 10  18 9  o 54.84065 22.63910 -91.12576      17.54966 -103.6092     18.54796 15.56637       54.22451 ?        ?        54.84065 22.63910 ?              ?        
1 1 1 10  18 10 o 262.6024 7.261308 930.8813       49.33473 911.3143      61.46050 966.3302       82.72441 259.1296 8.808371 266.0751 11.54638 -6.945496      14.52262 
1 1 1 10  18 11 o 117.0278 15.93721 218.7799       47.03064 221.3610      58.84468 214.2156       78.25128 121.8623 17.93307 112.1934 26.35116 9.668839       31.87442 
1 1 1 10  18 12 o 147.3749 10.16124 199.7341       30.99401 153.9608      33.31305 494.5831       84.54895 106.1012 11.66033 188.6487 16.64451 -82.54755      20.32248 
1 1 1 10  18 13 o 94.21313 14.22243 151.3646       24.11149 157.4608      25.73009 107.4330       69.07178 107.0363 8.927435 81.38995 27.00761 25.64636       28.44486 
1 1 1 10  18 14 o 105.4900 13.03441 151.9359       23.75129 146.9819      25.28497 189.0962       69.25053 103.2224 9.097146 107.7577 24.43001 -4.535278      26.06882 
1 1 1 10  18 15 o 62.12265 15.82463 33.74254       23.44458 22.30741      24.85203 126.2070       70.66895 42.30889 15.97059 81.93640 27.32426 -39.62751      31.64925 
1 1 1 10  18 16 o 152.7668 9.888504 344.3088       27.16958 342.0498      29.20570 358.8367       74.06370 157.1198 6.903247 148.4138 18.53308 8.705948       19.77701 
1 1 1 10  18 17 o 66.21208 15.74812 47.29808       24.47345 26.70193      26.08294 198.9030       70.76526 41.92110 16.22557 90.50307 26.99525 -48.58197      31.49623 
1 1 1 10  20 0  o 71.95366 5.317979 70.62437       10.01841 73.43867      12.89853 66.34480       15.90578 73.79945 6.490883 70.10786 8.425677 3.691597       10.63596 
1 1 1 10  20 1  o 575.1129 6.372073 4455.908       98.47774 4296.432      134.2198 4641.859       144.9335 564.0313 8.837513 586.1945 9.182137 -22.16321      12.74415 
1 1 1 10  20 2  o 197.2188 4.631725 524.3251       24.59657 524.3251      24.59657 0.000000       0.000000 197.2188 4.631725 ?        ?        ?              ?        
1 1 1 10  20 3  o 200.7611 4.803860 543.4304       25.96888 543.4304      25.96888 0.000000       0.000000 200.7611 4.803860 ?        ?        ?              ?        
1 1 1 10  20 4  o 116.8991 4.142584 193.9831       12.34424 146.7925      19.35034 226.3666       16.02958 104.2332 6.894441 129.5649 4.594636 -25.33175      8.285168 
1 1 1 10  20 5  o 21.66329 7.290792 -22.60937      11.47645 -13.27210     17.63139 -29.47375      15.11740 24.86359 11.44084 18.46298 9.040450 6.400612       14.58158 
1 1 1 10  20 6  o 103.3518 11.15281 188.4651       19.01134 204.2610      20.66735 101.5788       48.47169 122.9766 6.241353 83.72691 21.41462 39.24973       22.30561 
1 1 1 10  20 7  o 134.2359 9.636872 195.1012       27.93245 166.1592      30.51182 344.8942       69.41436 110.5120 10.25357 157.9598 16.31997 -47.44773      19.27374 
1 1 1 10  20 8  o 49.21275 14.58048 13.85646       26.64673 17.52987      29.30717 -3.665160      64.00685 44.14087 17.16730 54.28464 23.57213 -10.14378      29.16096 
1 1 1 10  20 9  o 128.2956 16.47627 268.6156       54.97098 220.8057      78.34066 314.9883       77.15432 113.4763 26.17286 143.1149 20.02128 -29.63863      32.95255 
1 1 1 10  20 10 o 189.4540 11.85093 496.4705       59.90924 519.6690      80.74289 468.0564       89.35983 194.7158 15.39996 184.1923 18.01721 10.52354       23.70187 
1 1 1 10  20 11 o 201.4979 7.442309 530.6821       28.69760 518.9752      30.96800 601.8530       76.35631 195.6215 5.879132 207.3743 13.67434 -11.75281      14.88462 
1 1 1 10  20 12 o 123.3729 10.06868 204.8439       22.52802 200.2525      24.09802 236.6761       63.45135 120.9209 7.401109 125.8249 18.72797 -4.904076      20.13736 
1 1 1 10  20 13 f 48.06784 14.37594 14.58865       22.09654 10.86813      23.55626 41.84811       63.76211 36.96778 15.05143 59.16790 24.49746 -22.20012      28.75189 
1 1 1 10  20 14 o 110.1824 13.70064 228.7834       25.58559 242.4255      27.67868 148.6801       67.07008 132.1552 7.778172 88.20965 26.27413 43.94559       27.40128 
1 1 1 10  20 15 o 95.72405 14.05442 140.8233       24.15769 134.1182      25.76065 189.7267       69.56985 96.45416 9.918647 94.99394 26.30072 1.460220       28.10885 
1 1 1 10  20 16 o 76.18530 14.07431 117.9507       25.01360 118.7867      26.88580 112.5679       68.22469 88.32829 11.30420 64.04231 25.77905 24.28597       28.14861 
1 1 1 10  22 0  o 335.7906 4.259014 1522.443       38.50867 1526.276      54.57153 1518.642       54.34812 336.2107 6.027972 335.3705 6.018334 0.8402100      8.518028 
1 1 1 10  22 1  o 172.1895 3.610559 400.6719       16.67908 407.9374      22.75556 392.2369       24.51856 173.8967 4.859738 170.4824 5.341115 3.414230       7.221119 
1 1 1 10  22 2  o 211.6081 3.924268 604.2067       22.22914 695.3079      32.06363 519.8974       30.84525 226.9900 5.245930 196.2261 5.837786 30.76393       7.848536 
1 1 1 10  22 3  f 174.7873 3.851107 407.0041       18.00634 471.8010      27.26340 356.8710       23.98088 186.9694 5.415346 162.6053 5.477055 24.36414       7.702214 
1 1 1 10  22 4  o 108.0119 5.337730 165.7550       14.69634 128.2177      23.23091 190.8016       18.97618 97.19360 8.876569 118.8303 5.930596 -21.63669      10.67546 
1 1 1 10  22 5  o 64.61224 9.553748 56.62566       15.83974 75.22255      25.63192 45.13603       20.14716 72.95045 13.54752 56.27404 13.47446 16.67642       19.10750 
1 1 1 10  22 6  o 86.33749 8.115238 102.3972       18.54689 111.8854      29.52123 96.21005       23.83899 89.38596 12.26540 83.28903 10.62959 6.096924       16.23048 
1 1 1 10  22 7  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  22 8  o 177.3264 10.49193 407.8591       37.41405 386.3495      40.65796 526.7471       95.58690 167.2482 9.028192 187.4046 18.94239 -20.15640      20.98386 
1 1 1 10  22 9  o 240.9639 6.943632 729.7410       34.10519 695.3363      37.15994 913.5667       85.89521 226.2363 6.099993 255.6915 12.47582 -29.45523      13.88726 
1 1 1 10  22 10 o 54.64281 14.76759 26.45670       23.36871 18.51606      25.44398 69.26385       59.07657 41.54639 16.04092 67.73923 24.79951 -26.19284      29.53518 
1 1 1 10  22 11 o 72.31969 14.94506 74.31232       26.15572 65.78873      29.16141 109.3836       59.15251 65.26170 16.56579 79.37769 24.87959 -14.11600      29.89012 
1 1 1 10  22 12 o 37.66055 12.74612 -38.46803      28.10193 -48.04265     31.72837 -3.618886      60.53172 27.50803 13.38797 47.81308 21.69370 -20.30505      25.49224 
1 1 1 10  22 13 o 36.21987 12.41181 -29.56531      27.01615 -30.39136     29.75558 -25.68862      64.46075 28.65612 13.69580 43.78361 20.70354 -15.12749      24.82361 
1 1 1 10  22 14 o 64.95113 14.89245 79.53581       25.25290 75.67224      27.30373 102.3946       66.41322 66.70602 15.49694 63.19625 25.43591 3.509777       29.78491 
1 1 1 10  24 0  o 324.5197 4.594391 1421.207       40.01669 1389.810      54.19078 1458.858       59.34395 320.6338 6.276719 328.4057 6.710925 -7.771912      9.188782 
1 1 1 10  24 1  o 136.0056 5.779720 266.5996       19.39062 298.7269      24.04161 206.7996       32.80021 148.6847 6.005012 123.3264 9.877271 25.35825       11.55944 
1 1 1 10  24 2  o 196.1412 4.817058 530.1774       24.77376 550.4681      31.98071 499.7315       39.17456 201.2023 5.902987 191.0802 7.613863 10.12209       9.634115 
1 1 1 10  24 3  o 70.28357 15.26410 70.73948       28.06020 70.73948      28.06020 0.000000       0.000000 70.28357 15.26410 ?        ?        ?              ?        
1 1 1 10  24 4  o 121.7963 10.76820 201.1380       35.31510 201.1380      35.31510 0.000000       0.000000 121.7963 10.76820 ?        ?        ?              ?        
1 1 1 10  24 5  o 96.61430 8.740166 129.3472       20.58494 211.4454      32.77788 75.88017       26.45190 122.5153 9.935902 70.71334 14.38193 51.80193       17.48033 
1 1 1 10  24 6  o 277.2243 4.695294 1045.285       35.02670 1003.548      49.57280 1086.896       49.49777 271.6394 6.777465 282.8092 6.499931 -11.16977      9.390588 
1 1 1 10  24 7  o 179.6028 5.018276 443.0409       24.02893 428.4863      36.28434 454.4101       32.06885 176.7435 7.624169 182.4621 6.527206 -5.718628      10.03655 
1 1 1 10  24 8  o 285.3967 4.484211 1109.251       34.44174 1142.858      49.71393 1078.233       47.76072 289.5299 6.376777 281.2635 6.306293 8.266449       8.968423 
1 1 1 10  24 9  o 73.38489 15.15576 72.90297       25.32213 63.16228      27.62935 124.0266       63.29759 63.85832 16.07854 82.91145 25.69570 -19.05313      30.31152 
1 1 1 10  24 10 o 68.94060 13.82599 89.15662       28.64699 106.5478      33.04700 36.58015       57.45966 83.09914 15.33395 54.78204 23.01092 28.31710       27.65199 
1 1 1 10  24 11 o 63.10305 14.60174 77.37563       30.39650 90.49178      34.86853 35.85454       62.03901 73.19278 17.85185 53.01332 23.11180 20.17945       29.20349 
1 1 1 10  24 12 o 43.83176 13.77719 16.47840       23.90103 10.64844      25.83361 51.12840       62.98018 35.56895 15.20383 52.09457 22.98015 -16.52562      27.55438 
1 1 1 10  26 0  f 59.16354 10.48910 62.05491       21.02002 91.02229      24.87147 -10.35860      39.32391 79.76364 11.58012 38.56344 17.49244 41.20020       20.97819 
1 1 1 10  26 1  o 62.82662 11.81494 46.26230       19.75514 26.75722      23.30143 96.11563       37.25253 45.20742 15.67770 80.44582 17.67995 -35.23840      23.62987 
1 1 1 10  26 2  o 32.74244 10.63798 -13.57409      19.82393 -4.366020     22.86873 -41.41195      39.76268 31.46548 13.86552 34.01940 16.13735 -2.553917      21.27597 
1 1 1 10  26 3  f 235.3206 6.080078 754.4994       38.52586 754.4994      38.52586 0.000000       0.000000 235.3206 6.080078 ?        ?        ?              ?        
1 1 1 10  26 4  o 34.05704 10.55405 -2.958340      18.49358 -3.229643     25.60048 -2.662241      26.74478 33.60278 14.74256 34.51130 15.10658 -0.9085274     21.10810 
1 1 1 10  26 5  o 87.24655 7.264554 102.2378       16.68907 127.9074      27.32169 86.95911       21.07851 95.52664 10.62184 78.96647 9.913199 16.56017       14.52911 
1 1 1 10  26 6  o 45.10268 10.48971 26.88740       17.04758 -0.5641011    25.75524 48.29252       22.74267 33.99245 14.85338 56.21292 14.81596 -22.22048      20.97941 
1 1 1 10  26 7  o 125.7895 5.636907 219.9692       18.55385 219.8292      29.94191 220.0565       23.63942 125.2826 8.875754 126.2963 6.951248 -1.013702      11.27381 
1 1 1 10  26 8  o 91.76958 7.936717 120.1147       19.23014 134.5159      30.95460 111.0637       24.54005 95.66545 12.01674 87.87372 10.37130 7.791733       15.87343 
1 1 1 10  26 9  o 84.06755 8.871801 107.5229       19.92930 106.0846      29.84664 108.6802       26.77196 82.90991 13.36920 85.22519 11.66618 -2.315277      17.74360 
1 1 1 10  26 10 o 84.06485 10.09051 115.2737       22.32231 125.9021      32.53537 105.8211       30.68302 88.62260 13.63414 79.50711 14.87897 9.115486       20.18102 
1 1 1 10  28 0  o 98.98508 8.949053 155.4992       20.20633 180.4981      24.85938 106.8236       34.68855 114.2476 8.080899 83.72252 15.97001 30.52511       17.89811 
1 1 1 10  28 1  o 53.21245 12.12897 40.86397       19.19773 33.16414      23.94036 54.73472       32.13219 47.52850 15.90408 58.89640 18.31687 -11.36791      24.25794 
1 1 1 10  28 2  o 81.28015 10.28935 100.9572       20.94796 106.3166      26.42046 91.88467       34.37518 86.26293 11.37451 76.29738 17.14945 9.965553       20.57871 
1 1 1 10  28 3  o 55.12351 13.04003 48.74657       21.98220 51.27806      26.04880 42.48381       40.97157 56.84247 16.22054 53.40456 20.42214 3.437916       26.08006 
1 1 1 10  28 4  o 136.6709 7.780333 260.9013       28.63239 260.9013      28.63239 0.000000       0.000000 136.6709 7.780333 ?        ?        ?              ?        
1 1 1 10  28 5  o 154.6327 5.737990 332.3357       23.69620 297.5558      31.18220 379.8730       36.45523 145.3293 7.968386 163.9362 8.258507 -18.60696      11.47598 
1 1 1 10  28 6  o 101.9995 7.465724 153.9587       20.47334 144.7344      28.07107 164.4417       29.92513 98.74612 10.55736 105.2530 10.55889 -6.506836      14.93145 
1 1 1 10  28 7  o 34.80379 10.78930 5.525483       19.89416 -8.179025     29.33690 17.19298       27.06895 31.65698 14.63475 37.95060 15.85750 -6.293623      21.57860 
1 1 1 10  30 0  o 65.55602 11.95939 75.33639       20.68635 77.07742      25.38729 71.89657       35.68466 69.10381 14.12062 62.00824 19.30586 7.095570       23.91878 
1 1 1 10  30 1  o 61.11081 10.68994 69.98505       21.86166 106.4063      28.06812 13.81326       34.85737 82.71500 12.60218 39.50662 17.27090 43.20838       21.37987 
1 1 1 10  30 2  o 40.10751 11.94823 17.19530       20.90105 8.296451      25.57732 35.08158       36.26169 34.43972 14.92783 45.77531 18.66014 -11.33559      23.89646 
1 1 1 11  1  0  o 520.9139 5.632016 3654.405       78.99667 3642.602      111.4117 3666.338       112.0272 520.0682 7.955858 521.7596 7.973879 -1.691406      11.26403 
1 1 1 11  1  1  o 198.5668 2.926418 530.3727       15.63903 512.2970      21.71926 549.8358       22.53727 195.0567 4.135240 202.0768 4.141918 -7.020050      5.852836 
1 1 1 11  1  2  o 649.5978 6.974617 5685.558       121.9963 5678.966      172.2532 5692.191       172.8058 649.2206 9.853526 649.9751 9.873660 -0.7545166     13.94923 
1 1 1 11  1  3  o 914.1543 9.729785 11275.63       239.4801 11192.05      336.0615 11361.87       341.3525 910.7213 13.70408 917.5873 13.81568 -6.866028      19.45957 
1 1 1 11  1  4  o 675.1732 7.272221 6146.789       132.1299 6282.760      190.9208 6021.799       183.0477 682.3174 10.39162 668.0291 10.17620 14.28833       14.54444 
1 1 1 11  1  5  o 78.47742 5.022954 83.48169       10.55822 90.96212      14.69598 75.50159       15.17887 82.13766 6.644661 74.81717 7.534505 7.320496       10.04591 
1 1 1 11  1  6  o 225.6262 3.387592 685.6932       20.57296 702.7380      29.60136 669.7677       28.61292 228.3353 4.814544 222.9171 4.766894 5.418243       6.775183 
1 1 1 11  1  7  o 161.6487 3.595421 352.4080       15.64818 357.9089      22.12539 346.9027       22.13435 162.9130 5.043730 160.3843 5.125328 2.528732       7.190841 
1 1 1 11  1  8  o 222.9711 3.575798 669.7531       21.45713 692.9078      30.96169 648.3554       29.76370 226.6742 5.072700 219.2680 5.041134 7.406158       7.151595 
1 1 1 11  1  9  f 221.8798 3.653643 663.4867       21.82479 650.6653      30.52308 676.8989       31.21850 219.6878 5.159875 224.0719 5.174178 -4.384079      7.307286 
1 1 1 11  1  10 o 386.8513 4.657932 2018.513       48.51965 2022.228      68.76832 2014.831       68.46696 387.2048 6.595751 386.4978 6.578859 0.7070007      9.315865 
1 1 1 11  1  11 o 160.1745 4.313502 345.7998       18.59902 334.6635      26.08566 357.3152       26.52585 157.5504 6.148922 162.7986 6.051113 -5.248260      8.627005 
1 1 1 11  1  12 o 308.4024 4.241333 1280.452       35.19203 1242.327      48.57571 1322.567       51.05488 303.5808 5.942395 313.2240 6.053392 -9.643219      8.482666 
1 1 1 11  1  13 o 33.16161 10.08514 -2.348815      16.35421 2.736334      23.13878 -7.424792      23.11791 34.93404 14.63439 31.38917 13.88072 3.544874       20.17027 
1 1 1 11  1  14 o 206.7132 4.313066 577.0234       23.99859 584.1505      33.62869 569.6269       34.25833 208.0231 6.003645 205.4033 6.194059 2.619766       8.626131 
1 1 1 11  1  15 o 230.5534 4.649441 717.7062       28.85258 700.6722      40.12118 735.9505       41.52228 227.7262 6.543007 233.3805 6.607440 -5.654358      9.298882 
1 1 1 11  1  16 o 51.03382 13.15886 23.90544       25.33800 52.10912      36.54386 -2.206665      35.16272 61.37870 19.59405 40.68895 17.56972 20.68975       26.31771 
1 1 1 11  1  17 o 40.94781 13.41685 -45.28748      35.64041 -68.35925     49.64658 -20.75373      51.19540 36.61188 17.54945 45.28373 20.29937 -8.671852      26.83371 
1 1 1 11  1  18 o 122.8236 9.989023 211.9753       32.74729 177.4051      45.34263 249.6671       47.34560 112.0145 15.03312 133.6327 13.15780 -21.61823      19.97805 
1 1 1 11  1  19 o 203.0282 6.779878 570.0629       37.04632 594.3430      52.72501 546.3876       52.06407 207.3792 9.442089 198.6771 9.732107 8.702087       13.55976 
1 1 1 11  1  20 o 99.15025 12.08709 154.2921       30.74400 115.7142      43.73817 191.9677       43.22356 84.07502 19.66976 114.2255 14.05317 -30.15045      24.17418 
1 1 1 11  1  21 o 118.9239 10.10781 219.6750       32.07277 248.0199      45.19090 190.9075       45.52644 127.9061 13.12129 109.9417 15.37865 17.96442       20.21561 
1 1 1 11  3  0  o 81.24886 3.842924 88.83372       8.403727 92.58994      12.04230 85.26792       11.73306 82.92209 5.393315 79.57563 5.475803 3.346458       7.685849 
1 1 1 11  3  1  o 1670.239 17.66980 37713.39       794.6126 38028.29      1132.869 37408.42       1114.851 1677.074 25.08673 1663.405 24.89062 13.66943       35.33960 
1 1 1 11  3  2  o 959.5214 10.19167 12418.87       263.3190 12401.06      371.8445 12436.77       372.9366 958.8329 14.40240 960.2097 14.42400 -1.376770      20.38335 
1 1 1 11  3  3  o 655.4103 7.051978 5791.316       124.4463 5828.697      177.1547 5754.899       174.8550 657.4949 10.00638 653.3256 9.939512 4.169250       14.10396 
1 1 1 11  3  4  o 96.89555 4.067726 126.5359       10.60517 132.9464      15.07553 120.2556       14.92159 99.32713 5.636655 94.46397 5.866318 4.863167       8.135451 
1 1 1 11  3  5  o 348.8041 4.145697 1640.147       38.93697 1642.917      55.09341 1637.384       55.03702 349.0984 5.860956 348.5098 5.864845 0.5885620      8.291394 
1 1 1 11  3  6  f 190.4096 3.371379 487.4769       17.26356 514.8632      25.18207 463.1931       23.71283 195.4419 4.785092 185.3773 4.750545 10.06465       6.742758 
1 1 1 11  3  7  o 355.4235 4.276237 1704.108       40.91253 1668.461      56.99635 1741.998       58.76215 351.5952 6.020336 359.2518 6.074568 -7.656616      8.552474 
1 1 1 11  3  8  o 132.6077 4.104635 236.6819       14.60830 210.9925      20.15028 265.1413       21.20885 125.0331 5.985118 140.1823 5.618761 -15.14922      8.209270 
1 1 1 11  3  9  o 601.4052 6.639141 4891.055       107.5114 4919.922      152.6093 4862.612       151.4850 603.1647 9.396406 599.6456 9.381915 3.519104       13.27828 
1 1 1 11  3  10 o 361.5562 4.491037 1762.720       43.71617 1749.822      61.21408 1776.146       62.45251 360.2104 6.311197 362.9020 6.391123 -2.691620      8.982075 
1 1 1 11  3  11 o 368.6086 4.591761 1829.089       45.53410 1903.546      66.13003 1761.965       62.78962 375.7264 6.536475 361.4909 6.450704 14.23550       9.183522 
1 1 1 11  3  12 o 250.3359 4.128736 842.9830       27.75050 822.8420      37.64996 866.9396       41.06190 247.0781 5.659094 253.5937 6.013361 -6.515640      8.257472 
1 1 1 11  3  13 o 115.7909 5.833094 180.3673       18.14367 166.1061      24.73688 196.9727       26.69265 110.8581 8.286942 120.7238 8.211366 -9.865730      11.66619 
1 1 1 11  3  14 o 291.4164 4.413290 1146.825       34.61354 1147.774      48.21217 1145.815       49.72476 291.5547 6.141200 291.2780 6.339889 0.2766724      8.826580 
1 1 1 11  3  15 o 362.8108 4.971710 1779.819       48.55746 1816.005      68.42097 1743.100       68.92303 366.5475 6.932273 359.0741 7.128479 7.473358       9.943420 
1 1 1 11  3  16 o 88.95496 11.73756 115.8932       26.72602 137.6684      35.53790 87.54509       40.54837 100.2369 13.16681 77.67298 19.43492 22.56395       23.47511 
1 1 1 11  3  17 o 218.3129 7.485969 639.8096       43.66268 599.5480      57.59239 694.2289       66.95701 210.3708 10.16708 226.2550 10.99042 -15.88419      14.97194 
1 1 1 11  3  18 o 81.11662 13.65027 97.65442       33.98833 165.5520      47.79449 28.18736       48.34372 107.7932 16.46657 54.44006 21.77549 53.35313       27.30055 
1 1 1 11  3  19 o 77.08414 14.78646 94.25214       31.46049 88.25642      47.06641 99.09458       42.29828 74.45520 21.96946 79.71307 19.79649 -5.257874      29.57293 
1 1 1 11  3  20 o 103.8016 11.74623 167.1984       31.07114 172.4573      40.15066 159.3474       49.05825 108.2462 13.77517 99.35707 19.03000 8.889084       23.49247 
1 1 1 11  3  21 o 110.1476 11.26492 196.7085       32.99548 206.7131      44.46228 184.4452       49.22579 114.9931 14.35941 105.3021 17.36090 9.691032       22.52984 
1 1 1 11  5  0  o 442.4649 4.855366 2636.471       57.84517 2656.180      82.25362 2617.186       81.36447 444.1006 6.878445 440.8292 6.854583 3.271362       9.710732 
1 1 1 11  5  1  o 723.4270 7.728583 7051.628       150.5212 7138.633      215.3884 6968.577       210.4362 727.7832 10.99099 719.0707 10.86840 8.712463       15.45717 
1 1 1 11  5  2  o 620.3900 6.687442 5184.736       111.6619 5287.374      160.9160 5089.416       155.0736 626.3016 9.541845 614.4785 9.372336 11.82318       13.37488 
1 1 1 11  5  3  o 311.8375 3.735670 1310.110       31.36584 1318.306      44.22145 1301.812       44.49583 312.8203 5.249944 310.8547 5.315920 1.965637       7.471340 
1 1 1 11  5  4  o 398.6655 4.548669 2141.657       48.81386 2179.703      70.09872 2105.839       68.01488 402.0979 6.474330 395.2330 6.390979 6.864960       9.097339 
1 1 1 11  5  5  o 412.9705 4.719175 2301.013       52.47575 2313.896      74.52088 2288.341       73.90676 414.1159 6.683019 411.8252 6.664812 2.290710       9.438351 
1 1 1 11  5  6  o 112.0242 4.083653 168.4648       12.28681 154.2119      16.75149 185.0613       18.07640 106.9189 5.818561 117.1294 5.731425 -10.21053      8.167306 
1 1 1 11  5  7  o 205.2233 3.501099 566.5994       19.30323 550.1887      26.27929 585.8294       28.44720 202.0105 4.831215 208.4361 5.068543 -6.425644      7.002197 
1 1 1 11  5  8  o 294.9890 3.914205 1173.518       31.08945 1188.095      44.02184 1159.013       43.91259 296.8190 5.507990 293.1589 5.562917 3.660095       7.828410 
1 1 1 11  5  9  o 164.4400 4.014771 364.7245       17.70519 366.2797      24.01418 362.8722       26.20715 164.8350 5.410470 164.0450 5.932987 0.7899323      8.029541 
1 1 1 11  5  10 o 203.2267 3.975769 555.6286       21.69367 542.3410      29.43265 571.4332       32.09949 200.5803 5.449514 205.8732 5.790487 -5.292862      7.951537 
1 1 1 11  5  11 o 266.3755 4.085437 955.2091       29.21281 941.8796      39.65603 971.0253       43.19702 264.3568 5.571028 268.3943 5.977192 -4.037445      8.170874 
1 1 1 11  5  12 o 338.2538 4.492499 1542.782       40.90565 1546.939      57.19412 1538.428       58.52759 338.7267 6.270736 337.7808 6.434908 0.9459839      8.984998 
1 1 1 11  5  13 o 126.4557 6.130133 223.7260       20.15401 260.4005      26.83088 176.2410       30.53028 138.8500 7.176382 114.0615 9.940506 24.78854       12.26027 
1 1 1 11  5  14 o 223.6129 4.699387 673.0886       28.00985 658.2552      36.88799 693.2865       43.04472 220.7664 6.205383 226.4594 7.059048 -5.693024      9.398773 
1 1 1 11  5  15 o 288.6326 5.118965 1128.038       39.47582 1135.230      52.74533 1118.879       59.52130 289.7684 6.760046 287.4968 7.688756 2.271576       10.23793 
1 1 1 11  5  16 o 81.28508 13.53528 91.25583       28.34994 75.49388      35.30570 119.8668       47.56706 72.05619 18.19338 90.51396 20.04536 -18.45777      27.07056 
1 1 1 11  5  17 o 218.3313 7.965749 650.9728       45.38465 661.2834      57.75222 634.3233       73.38860 220.8617 9.711021 215.8008 12.62967 5.060898       15.93150 
1 1 1 11  5  18 o 225.3968 6.786477 704.2771       40.31624 708.4168      52.08688 698.0906       63.67443 226.8757 8.526229 223.9179 10.56070 2.957825       13.57295 
1 1 1 11  5  19 o 118.6804 10.56123 202.3302       33.26041 187.2703      42.94437 224.9062       52.57948 113.8002 14.01457 123.5607 15.80348 -9.760483      21.12246 
1 1 1 11  5  20 o 102.0281 12.43982 164.8825       33.22006 162.5847      44.60282 167.7450       49.78349 102.8173 16.11064 101.2389 18.95901 1.578407       24.87965 
1 1 1 11  5  21 o 72.85876 15.05282 106.7970       31.78611 117.3152      42.96865 94.08421       47.23887 78.69203 20.18162 67.02549 22.33948 11.66654       30.10565 
1 1 1 11  7  0  o 598.0615 6.441194 4817.837       103.6967 4896.941      148.8794 4743.302       144.5165 602.8238 9.171934 593.2991 9.046079 9.524658       12.88239 
1 1 1 11  7  1  o 558.6351 6.053309 4206.209       91.05368 4225.674      129.2191 4187.014       128.3243 559.9180 8.570750 557.3522 8.550582 2.565735       12.10662 
1 1 1 11  7  2  f 924.7283 9.870273 11562.20       245.6457 11794.05      354.2237 11347.40       340.9474 933.6100 14.09057 915.8466 13.82551 17.76349       19.74055 
1 1 1 11  7  3  o 286.7375 3.562548 1107.386       27.49562 1092.137      38.26278 1123.669       39.53794 284.6994 4.991218 288.7757 5.084755 -4.076233      7.125095 
1 1 1 11  7  4  o 250.1753 3.401904 842.4923       22.89827 870.5612      33.20566 817.0423       31.61868 254.1408 4.852376 246.2098 4.769303 7.930939       6.803808 
1 1 1 11  7  5  o 95.38144 4.420522 122.8561       11.34286 127.9532      15.96317 117.6581       16.12043 97.38671 6.087461 93.37617 6.411465 4.010544       8.841044 
1 1 1 11  7  6  o 46.91290 8.827347 30.81133       11.69414 41.13104      16.52643 20.46266       16.54961 54.01657 11.70079 39.80921 13.22043 14.20736       17.65469 
1 1 1 11  7  7  o 301.2697 3.989777 1222.599       32.32119 1191.015      44.34399 1258.396       47.20850 297.1358 5.542380 305.4036 5.740672 -8.267731      7.979555 
1 1 1 11  7  8  o 277.3432 3.908478 1036.963       29.15891 1033.146      40.30725 1041.153       42.23407 276.8168 5.407635 277.8696 5.644669 -1.052826      7.816957 
1 1 1 11  7  9  o 260.6382 3.969835 911.2645       27.68386 877.9064      36.84260 954.5237       41.95562 255.2021 5.361454 266.0742 5.856039 -10.87209      7.939671 
1 1 1 11  7  10 o 244.4497 4.059711 804.1979       26.57336 793.7729      35.63822 817.2516       39.87918 242.6825 5.453737 246.2169 6.015130 -3.534363      8.119423 
1 1 1 11  7  11 o 313.8780 4.408688 1324.575       37.10198 1290.893      49.93570 1366.084       55.43425 309.4522 5.992860 318.3038 6.467747 -8.851563      8.817376 
1 1 1 11  7  12 o 242.6292 4.460983 800.2722       28.83283 844.6190      38.73554 745.1738       43.17656 250.2654 5.748114 234.9930 6.823538 15.27238       8.921967 
1 1 1 11  7  13 o 175.1059 5.348066 419.6582       24.46387 437.4506      31.41159 392.2284       39.00167 179.9785 6.481655 170.2332 8.508548 9.745255       10.69613 
1 1 1 11  7  14 o 217.8617 5.220286 637.3340       29.80795 622.4315      37.81945 661.7731       48.43162 214.6300 6.543971 221.0934 8.135231 -6.463364      10.44057 
1 1 1 11  7  15 o 349.3236 5.584339 1655.373       51.91843 1664.609      68.52779 1642.928       79.54543 350.6468 7.257941 348.0004 8.488914 2.646454       11.16868 
1 1 1 11  7  16 o 84.18739 15.75849 105.3250       35.42993 94.44280      44.75075 123.6033       57.99742 79.01888 20.76202 89.35590 23.71200 -10.33702      31.51698 
1 1 1 11  7  17 o 203.4658 11.82696 589.7172       64.79593 0.000000      0.000000 589.7172       64.79593 ?        ?        203.4658 11.82696 ?              ?        
1 1 1 11  7  18 o 149.8003 9.196165 318.1664       36.49382 318.2364      47.62386 318.0667       56.80047 150.5142 11.75070 149.0863 14.14916 1.427887       18.39233 
1 1 1 11  7  19 o 36.00154 12.09161 -40.99863      31.88008 -25.10904     41.19976 -64.70979      50.32858 36.72976 17.10407 35.27332 17.09616 1.456436       24.18322 
1 1 1 11  7  20 o 52.39114 15.05075 35.66154       32.62513 18.90434      41.36417 63.24656       53.07136 45.15660 19.26867 59.62568 23.12615 -14.46909      30.10151 
1 1 1 11  7  21 o 50.36625 14.00585 45.62915       29.21409 70.81067      41.58671 21.09523       41.04848 58.13767 20.87527 42.59483 18.67830 15.54285       28.01171 
1 1 1 11  9  0  o 147.6355 2.610523 283.6913       10.16456 343.7859      16.54802 247.2796       12.88097 159.7675 3.846577 135.5036 3.530320 24.26382       5.221045 
1 1 1 11  9  1  o 190.3420 2.814883 488.0228       14.42223 488.2026      20.13862 487.8334       20.66374 190.3793 3.928499 190.3048 4.032512 0.7446289E-01  5.629766 
1 1 1 11  9  2  o 236.4150 3.201544 752.8555       20.37699 770.4565      29.12849 735.9866       28.51611 239.1203 4.523953 233.7097 4.531377 5.410599       6.403088 
1 1 1 11  9  3  o 260.2459 3.430179 912.6019       24.02005 905.1157      33.28507 920.7372       34.69793 259.1376 4.770190 261.3542 4.930497 -2.216614      6.860358 
1 1 1 11  9  4  f 223.0172 3.341010 668.3562       19.97911 648.2059      26.87949 693.2316       29.86524 219.2841 4.552296 226.7502 4.891420 -7.466110      6.682020 
1 1 1 11  9  5  o 139.8963 3.653403 264.9857       13.64335 272.8418      18.29426 255.1408       20.47932 142.2585 4.775879 137.5341 5.529955 4.724380       7.306807 
1 1 1 11  9  6  o 166.9401 3.679389 375.3911       16.24898 373.4481      21.07010 378.2425       25.52425 166.4334 4.701567 167.4468 5.660997 -1.013351      7.358778 
1 1 1 11  9  7  o 184.9473 3.903949 462.8355       19.08895 470.0363      24.85341 452.4770       29.80895 186.7352 4.942838 183.1593 6.044138 3.575989       7.807897 
1 1 1 11  9  8  o 151.8552 4.544834 317.0733       17.93649 337.1561      22.99900 285.8963       28.65586 158.1512 5.400739 145.5592 7.311230 12.59200       9.089668 
1 1 1 11  9  9  o 91.82469 7.270939 119.1834       16.10606 126.7258      19.29674 101.8626       29.24237 96.92010 7.394123 86.72927 12.52171 10.19083       14.54188 
1 1 1 11  9  10 o 176.1644 4.852975 428.3920       22.02197 456.5788      27.92867 382.0609       35.80667 184.0531 5.635387 168.2758 7.902398 15.77728       9.705951 
1 1 1 11  9  11 o 152.4760 5.424238 316.2431       20.77805 320.8748      25.29698 306.6390       36.42696 154.2697 6.089822 150.6824 8.977944 3.587265       10.84848 
1 1 1 11  9  12 o 201.1103 4.916799 557.4359       25.93119 607.4622      34.03421 488.2056       40.03727 212.1708 5.957263 190.0498 7.823726 22.12093       9.833598 
1 1 1 11  9  13 o 131.1297 6.856030 226.3587       22.56461 214.9199      27.04468 252.5639       40.93417 126.0086 7.970732 136.2507 11.15742 -10.24216      13.71206 
1 1 1 11  9  14 o 233.7573 6.004095 735.8671       36.17169 723.8520      44.88315 758.1309       61.09662 231.2831 7.207025 236.2315 9.604969 -4.948410      12.00819 
1 1 1 11  9  15 o 131.8510 10.15093 243.6153       34.11682 249.5549      42.30870 232.5728       57.68821 134.8257 11.65396 128.8764 16.62380 5.949310       20.30186 
1 1 1 11  9  16 o 335.5267 7.403442 1504.882       63.22880 1459.499      77.13033 1597.867       110.4049 328.3377 8.724109 342.7156 11.96385 -14.37793      14.80688 
1 1 1 11  9  17 o 40.31895 13.19096 -24.20682      32.41476 -11.46044     38.95259 -52.91058      58.45374 39.23109 17.63730 41.40681 19.61966 -2.175720      26.38192 
1 1 1 11  9  18 o 95.98956 14.55622 138.6919       34.42718 124.9804      41.42048 169.3302       61.91621 90.40643 17.64837 101.5727 23.15317 -11.16626      29.11244 
1 1 1 11  9  19 o 37.58162 12.41797 -25.31472      31.18433 -11.65707     39.99242 -46.49975      49.80859 38.28090 17.47046 36.88235 17.65238 1.398544       24.83593 
1 1 1 11  9  20 o 39.25178 12.78555 -5.783658      30.90107 -11.71761     40.92932 2.082406       47.12391 36.88918 17.13474 41.61439 18.98111 -4.725212      25.57111 
1 1 1 11  11 0  f 104.5847 5.697912 141.1083       8.935517 139.8127      9.320225 155.8379       31.42542 101.8779 3.397529 107.2916 10.87757 -5.413742      11.39582 
1 1 1 11  11 1  f 314.6983 4.902104 1355.419       38.36898 1387.359      46.43058 1286.636       68.13605 320.7777 5.375471 308.6188 8.199195 12.15894       9.804208 
1 1 1 11  11 2  f 208.6877 3.168097 588.1704       17.72127 600.1171      24.08221 574.0612       26.17125 211.0162 4.238353 206.3593 4.709959 4.656952       6.336194 
1 1 1 11  11 3  o 258.9250 3.542663 905.1288       24.65716 924.4759      34.11042 883.9558       35.68372 261.8405 4.838011 256.0094 5.176435 5.831085       7.085325 
1 1 1 11  11 4  o 207.4560 3.627871 584.5053       19.84217 601.5606      25.78532 559.7427       31.06991 211.2328 4.533439 203.6791 5.665133 7.553635       7.255743 
1 1 1 11  11 5  o 417.5276 6.811424 2352.704       76.57844 2352.704      76.57844 0.000000       0.000000 417.5276 6.811424 ?        ?        ?              ?        
1 1 1 11  11 6  o 35.50558 9.658686 11.74949       12.99823 19.46520      14.61343 -17.48022      28.44306 38.45383 12.40277 32.55733 14.80987 5.896500       19.31737 
1 1 1 11  11 7  o 284.5187 4.329241 1099.023       32.75977 1145.017      43.60840 1039.445       49.63264 291.4376 5.557011 277.5998 6.639950 13.83777       8.658483 
1 1 1 11  11 8  o 71.81013 10.05830 79.12963       16.24437 86.72144      18.74228 56.20667       32.56755 80.14767 8.684568 63.47260 18.14540 16.67506       20.11659 
1 1 1 11  11 9  o 353.1813 4.836780 1688.772       45.75068 1759.608      62.38285 1606.332       67.29893 361.2615 6.412982 345.1010 7.242334 16.16052       9.673559 
1 1 1 11  11 10 o 107.0462 13.18535 155.3010       38.00550 0.000000      0.000000 155.3010       38.00550 ?        ?        107.0462 13.18535 ?              ?        
1 1 1 11  11 11 o 235.8866 4.963528 752.4764       29.77795 754.5352      36.56944 748.4248       51.30016 236.4878 5.742834 235.2854 8.097301 1.202362       9.927055 
1 1 1 11  11 12 o 221.3854 5.568085 676.8206       30.68642 700.6794      37.28925 626.7644       54.01173 227.7820 6.079681 214.9888 9.330153 12.79317       11.13617 
1 1 1 11  11 13 o 173.8788 7.387720 376.2456       30.37925 342.7561      34.71722 485.6962       62.76245 159.0945 8.104130 188.6631 12.35462 -29.56859      14.77544 
1 1 1 11  11 14 o 358.1512 6.767258 1716.705       59.35591 1680.853      70.23217 1806.325       111.0396 352.3641 7.402205 363.9384 11.33095 -11.57434      13.53452 
1 1 1 11  11 15 o 199.5588 10.56433 539.7297       56.76702 539.7297      56.76702 0.000000       0.000000 199.5588 10.56433 ?        ?        ?              ?        
1 1 1 11  11 16 o 47.44259 14.91291 -2.842383      34.58869 7.193780      39.57639 -35.30151      71.17389 44.87747 18.98672 50.00771 23.00182 -5.130238      29.82581 
1 1 1 11  11 17 o 56.00091 15.72323 36.21186       34.47580 44.96163      41.07276 15.34508       63.42834 57.04515 20.70945 54.95667 23.66429 2.088486       31.44646 
1 1 1 11  11 18 o 125.6913 11.38473 237.7910       34.17614 238.0593      40.28456 237.1019       64.55557 129.0440 11.59358 122.3386 19.59687 6.705353       22.76946 
1 1 1 11  11 19 o 59.29712 15.61051 54.25904       31.50869 34.69858      37.79444 98.83800       57.05627 48.75437 19.33325 69.83987 24.51483 -21.08550      31.22101 
1 1 1 11  11 20 o 40.13739 12.13785 5.052185       25.26022 48.83445      38.10819 -29.26131      33.73663 50.45969 19.58955 29.81510 14.33733 20.64459       24.27570 
1 1 1 11  13 0  o 151.1075 6.437822 309.8826       26.07775 300.7042      38.41211 317.7295       35.51683 148.9819 9.575278 153.2331 8.607919 -4.251251      12.87564 
1 1 1 11  13 1  o 373.7526 6.738025 1891.450       67.77773 1819.724      95.69456 1963.650       96.01059 366.6054 9.694045 380.8998 9.361059 -14.29443      13.47605 
1 1 1 11  13 2  o 326.0541 5.040029 1434.981       38.55614 1433.627      44.65889 1438.947       76.40780 326.0294 5.087070 326.0787 8.702256 -0.4925537E-01 10.08006 
1 1 1 11  13 3  o 175.3921 4.806107 354.7368       15.73331 334.4622      16.76305 504.7161       45.59247 157.5508 3.951381 193.2334 8.762491 -35.68256      9.612214 
1 1 1 11  13 4  o 79.21091 10.43286 98.49898       12.51417 101.2439      13.16304 72.69866       40.35551 86.65202 5.641496 71.76978 20.08861 14.88224       20.86573 
1 1 1 11  13 5  o 206.9774 5.032667 555.6386       22.84162 540.3323      25.53322 616.9717       51.11137 200.2391 4.735581 213.7157 8.881734 -13.47653      10.06533 
1 1 1 11  13 6  o 279.5675 5.173366 1067.434       34.90587 1084.142      41.25992 1025.371       65.46687 283.6011 5.403027 275.5339 8.823954 8.067230       10.34673 
1 1 1 11  13 7  o 78.37779 10.41688 89.10927       16.77138 91.70308      18.65063 78.14914       38.33829 82.43063 8.402753 74.32496 19.06409 8.105675       20.83377 
1 1 1 11  13 8  o 273.9581 5.264234 1016.366       34.89244 1021.406      41.19313 1003.566       65.64640 275.2850 5.557236 272.6312 8.942358 2.653839       10.52847 
1 1 1 11  13 9  o 219.4707 5.377545 631.0076       27.28412 613.6155      31.17347 687.9528       56.40747 213.3418 5.426575 225.5997 9.285702 -12.25789      10.75509 
1 1 1 11  13 10 o 50.94286 12.77331 29.57217       18.99380 28.58987      21.37922 33.25188       41.37860 46.39853 15.00544 55.48718 20.67527 -9.088650      25.54662 
1 1 1 11  13 11 o 304.3000 6.030954 1241.484       43.30226 1227.879      50.19049 1281.098       85.64249 301.5116 6.182072 307.0885 10.35720 -5.576904      12.06191 
1 1 1 11  13 12 o 302.6561 6.427881 1242.952       46.59698 1243.514      54.62745 1241.449       89.28033 303.2980 6.688951 302.0143 10.97855 1.283722       12.85576 
1 1 1 11  13 13 o 206.0476 7.796932 563.5627       36.82388 550.3873      41.96820 607.6400       76.76167 201.5836 7.731819 210.5116 13.54207 -8.928024      15.59386 
1 1 1 11  13 14 o 131.6923 14.31968 203.9100       44.63374 170.7010      50.61317 320.0741       94.66108 111.6458 16.83595 151.7388 23.16815 -40.09297      28.63935 
1 1 1 11  13 15 o 111.5977 13.85873 153.8549       35.20921 127.0505      39.66150 253.5386       76.48527 94.61973 15.56697 128.5757 22.93310 -33.95592      27.71746 
1 1 1 11  13 16 o 150.8485 10.55799 318.7542       37.66920 309.5226      43.68048 345.5412       74.40676 148.9491 10.89096 152.7478 18.09064 -3.798676      21.11597 
1 1 1 11  13 17 o 142.8386 11.02610 289.3343       42.40833 289.3343      42.40833 0.000000       0.000000 142.8386 11.02610 ?        ?        ?              ?        
1 1 1 11  13 18 o 69.04715 16.09670 89.92935       33.63783 93.56870      38.63071 78.51691       68.40850 73.91437 19.22729 64.17993 25.82104 9.734436       32.19339 
1 1 1 11  13 19 o 41.91727 13.47327 12.74527       31.36197 18.54116      36.43210 -3.839778      61.62859 41.11118 17.81780 42.72335 20.21491 -1.612175      26.94655 
1 1 1 11  15 0  o 318.4504 6.191083 1368.594       53.03489 1287.842      73.53727 1456.119       76.55930 308.6633 8.847878 328.2375 8.662164 -19.57419      12.38217 
1 1 1 11  15 1  o 304.9625 6.229352 1251.286       51.02807 1144.594      69.69210 1374.586       74.92038 291.0011 8.894173 318.9239 8.724277 -27.92282      12.45870 
1 1 1 11  15 2  o 333.7370 5.415066 1494.226       44.46779 1481.057      52.92585 1525.836       81.99979 331.4206 5.930686 336.0533 9.061938 -4.632751      10.83013 
1 1 1 11  15 3  o 102.4190 7.002362 129.5119       9.766351 127.6885      10.08827 156.7237       38.97130 97.35617 3.848308 107.4819 13.46562 -10.12572      14.00472 
1 1 1 11  15 4  o 480.9051 6.828427 3112.999       81.93761 3092.700      98.65009 3158.155       147.1351 478.7207 7.653002 483.0894 11.31111 -4.368713      13.65685 
1 1 1 11  15 5  o 350.6117 5.377821 1623.262       39.30915 1603.445      43.38012 1714.226       92.94181 344.9742 4.670042 356.2491 9.688889 -11.27490      10.75564 
1 1 1 11  15 6  o 296.6555 5.114310 1171.051       30.66562 1162.981      33.59902 1211.307       75.04230 293.8139 4.246889 299.4970 9.305299 -5.683044      10.22862 
1 1 1 11  15 7  o 330.8234 5.243316 1506.739       38.23700 1530.026      43.27594 1423.846       81.64838 336.9686 4.769509 324.6782 9.339231 12.29044       10.48663 
1 1 1 11  15 8  o 336.7759 5.500309 1515.891       38.68897 1506.130      42.78196 1559.709       90.64137 334.2313 4.753682 339.3204 9.920489 -5.089081      11.00062 
1 1 1 11  15 9  o 176.0539 5.818099 414.8627       18.92417 413.1470      20.34660 425.8622       51.51791 175.0508 4.316626 177.0571 10.80592 -2.006256      11.63620 
1 1 1 11  15 10 o 156.6192 6.303383 323.0901       19.63437 318.6779      21.39715 346.6065       49.39864 153.6770 5.170870 159.5614 11.49751 -5.884430      12.60677 
1 1 1 11  15 11 o 202.1910 7.028547 561.9796       27.33529 564.6140      29.70266 547.4010       69.87220 204.4778 5.394682 199.9042 12.98073 4.573517       14.05709 
1 1 1 11  15 12 o 137.7594 9.497192 249.5030       26.00616 243.8010      28.30204 280.4322       65.91541 134.0146 7.843000 141.5041 17.29954 -7.489532      18.99438 
1 1 1 11  15 13 o 138.5616 15.33621 278.7340       49.34045 290.8490      58.60269 249.2343       91.44611 146.0128 14.90539 131.1103 26.80721 14.90244       30.67241 
1 1 1 11  15 14 o 85.86947 15.11106 127.1072       28.84497 136.7265      31.12122 68.47217       76.83581 99.36593 11.63150 72.37301 27.89416 26.99292       30.22211 
1 1 1 11  15 15 o 212.1234 8.319826 629.1927       33.87514 628.5178      36.79831 632.9413       86.72703 214.7574 6.363503 209.4895 15.37478 5.267944       16.63965 
1 1 1 11  15 16 o 44.44168 13.57995 13.19189       26.54583 24.38432      28.73083 -52.10955      69.39808 44.55134 17.08602 44.33202 21.11226 0.2193184      27.15989 
1 1 1 11  15 17 o 37.87861 12.57333 -10.43069      26.09134 -3.126979     28.45006 -49.07931      65.44530 34.08871 15.21714 41.66851 20.01982 -7.579792      25.14666 
1 1 1 11  15 18 o 71.48233 15.29810 105.4272       28.96843 103.8951      31.55409 113.6425       73.06956 78.55746 15.46764 64.40719 26.39848 14.15028       30.59620 
1 1 1 11  17 0  f 753.4462 11.71662 7730.593       237.6725 7806.454      339.4971 7657.678       332.8412 757.0259 16.65489 749.8664 16.48427 7.159546       23.43324 
1 1 1 11  17 1  o 139.8764 8.543954 264.5274       32.15610 277.5941      46.48222 252.5343       44.53166 143.1861 12.05599 136.5667 12.10990 6.619354       17.08791 
1 1 1 11  17 2  o 553.3917 7.752615 4140.923       109.3168 4141.934      134.4295 4138.951       187.8302 553.8682 9.013737 552.9152 12.61605 0.9530640      15.50523 
1 1 1 11  17 3  o 454.7830 6.265858 2727.459       62.56324 2681.951      70.14067 2904.601       138.3842 446.0619 5.839712 463.5040 11.08791 -17.44214      12.53172 
1 1 1 11  17 4  o 577.4673 7.517910 4496.879       99.43204 4486.940      113.8041 4528.941       204.4065 576.7376 7.328180 578.1969 13.12912 -1.459290      15.03582 
1 1 1 11  17 5  o 361.4865 5.489778 1715.535       42.32657 1686.009      46.98122 1842.783       97.53249 353.7081 4.932827 369.2649 9.809071 -15.55685      10.97956 
1 1 1 11  17 6  o 620.3459 8.054548 5213.208       114.4114 5204.219      130.9825 5242.141       235.0035 620.5360 7.839043 620.1559 14.07311 0.3801270      16.10910 
1 1 1 11  17 7  o 350.0499 5.551370 1668.970       41.95786 1676.930      47.01684 1637.841       92.98270 352.5992 4.952092 347.5005 9.937184 5.098785       11.10274 
1 1 1 11  17 8  o 171.9963 5.997276 386.7040       17.57150 382.7372      18.61349 419.1878       53.26494 168.4857 4.102809 175.5069 11.27104 -7.021240      11.99455 
1 1 1 11  17 9  o 163.8576 8.084696 354.9018       31.01994 344.3229      35.66549 387.7605       62.85718 159.4346 8.307729 168.2806 13.87194 -8.846069      16.16939 
1 1 1 11  17 10 o 182.1553 8.790325 479.6475       37.67012 512.1935      44.59488 398.5753       70.38371 194.3184 8.522904 169.9922 15.37658 24.32625       17.58065 
1 1 1 11  17 11 o 212.7073 9.063955 627.2567       46.55901 615.9470      54.72412 656.9026       88.59986 211.2624 9.619959 214.1521 15.36481 -2.889709      18.12791 
1 1 1 11  17 12 o 199.3539 10.00478 573.9326       49.27516 610.6369      60.17714 499.2458       85.84094 210.8787 10.59779 187.8290 16.97260 23.04973       20.00956 
1 1 1 11  17 13 o 103.0292 14.21059 159.4490       24.10924 158.8897      25.50594 164.1397       73.86964 107.4422 8.816236 98.61626 27.01921 8.825905       28.42118 
1 1 1 11  17 14 o 56.09747 15.27817 32.27748       22.55831 29.16724      23.88194 58.02546       68.71393 46.15406 15.87940 66.04089 26.10622 -19.88684      30.55634 
1 1 1 11  17 15 o 196.9275 8.282376 548.1440       30.10479 545.6989      32.44949 563.2525       80.66245 199.6613 6.035742 194.1938 15.42598 5.467484       16.56475 
1 1 1 11  17 16 o 111.8448 14.01750 237.4003       26.54030 248.4647      28.66471 170.9457       70.24986 133.1279 7.996410 90.56178 26.87041 42.56610       28.03501 
1 1 1 11  17 17 o 40.44956 13.34252 1.854576       32.92101 9.156403      37.63841 -21.92039      67.91652 39.05526 17.46351 41.84386 20.17715 -2.788605      26.68504 
1 1 1 11  19 0  o 259.0705 3.493611 901.0966       24.30463 862.1299      32.93165 947.7132       36.01941 252.9464 4.835056 265.1946 5.044156 -12.24817      6.987223 
1 1 1 11  19 1  o 409.3424 6.815952 2259.750       75.12710 2259.750      75.12710 0.000000       0.000000 409.3424 6.815952 ?        ?        ?              ?        
1 1 1 11  19 2  f 311.8217 5.358913 1330.010       40.86031 1355.743      48.76565 1269.374       74.85805 317.1142 5.711036 306.5291 9.069503 10.58517       10.71783 
1 1 1 11  19 3  o 280.3848 5.407134 1082.961       35.66314 1105.844      41.60349 1019.553       69.25438 286.3354 5.395992 274.4343 9.371854 11.90115       10.81427 
1 1 1 11  19 4  o 70.46820 11.26257 76.93702       14.36295 79.76156      15.24245 54.55893       42.90351 76.82901 7.367944 64.10739 21.28603 12.72162       22.52513 
1 1 1 11  19 5  o 205.8115 5.608646 589.5741       22.60360 597.4165      24.70761 549.3215       55.97598 210.4898 4.359295 201.1331 10.33558 9.356689       11.21729 
1 1 1 11  19 6  o 155.0631 7.186630 296.9692       22.01177 284.2647      23.80181 372.0294       57.85444 145.0780 6.092912 165.0482 13.01795 -19.97014      14.37326 
1 1 1 11  19 7  o 101.1660 12.49164 140.0658       30.77299 133.5751      36.84047 155.0483       55.97242 98.73641 13.85685 103.5956 20.78827 -4.859207      24.98328 
1 1 1 11  19 8  o 146.6965 9.316823 283.7866       24.46967 280.0767      26.12104 310.3751       69.92953 143.8918 6.741725 149.5013 17.37130 -5.609528      18.63365 
1 1 1 11  19 9  o 61.06230 15.68815 28.93928       22.22029 17.66847      23.39711 132.5997       70.95633 39.45015 15.34008 82.67446 27.37068 -43.22432      31.37630 
1 1 1 11  19 10 f 152.0975 13.64055 316.7241       54.15144 309.7441      68.32198 328.5176       88.80889 150.2832 16.88366 153.9118 21.42897 -3.628571      27.28111 
1 1 1 11  19 11 o 62.56087 15.19587 48.45711       22.32597 47.27581      23.60923 58.44616       68.65350 56.87866 15.14556 68.24308 26.34900 -11.36442      30.39174 
1 1 1 11  19 12 o 38.15402 12.56014 -6.704832      20.50839 -3.254300     21.69646 -35.64793      62.83741 30.86606 13.55620 45.44198 21.14849 -14.57592      25.12029 
1 1 1 11  19 13 o 62.90083 14.33105 57.42417       20.88137 56.90568      22.10689 61.71546       63.59912 61.66663 13.67223 64.13503 25.19100 -2.468395      28.66211 
1 1 1 11  19 14 o 40.54433 12.41916 10.81096       22.14291 21.46661      23.57355 -69.07050      64.54433 41.11263 15.54583 39.97603 19.37186 1.136597       24.83831 
1 1 1 11  19 15 o 45.41122 14.16804 11.10371       22.47986 4.920827      23.92348 57.74593       65.70801 33.64544 14.51034 57.17699 24.33893 -23.53154      28.33608 
1 1 1 11  19 16 o 39.58777 12.50203 14.61773       23.62703 21.19567      25.37039 -28.37037      64.85690 39.02418 15.71611 40.15136 19.44756 -1.127186      25.00407 
1 1 1 11  21 0  o 329.5172 4.139957 1464.750       36.72330 1438.741      51.21621 1492.272       52.68407 326.5119 5.825391 332.5226 5.884029 -6.010712      8.279914 
1 1 1 11  21 1  o 168.1467 3.573763 384.6735       15.81892 398.0757      20.53230 365.0997       24.81353 171.8195 4.437945 164.4740 5.602835 7.345428       7.147525 
1 1 1 11  21 2  o 87.22849 3.813259 98.92307       8.790321 127.6121      14.04979 80.46935       11.26820 97.24088 5.365840 77.21609 5.419551 20.02479       7.626518 
1 1 1 11  21 3  o 179.9849 3.349512 436.7571       16.09165 438.4981      24.44460 435.4257       21.37674 180.2793 5.035628 179.6905 4.418074 0.5887909      6.699024 
1 1 1 11  21 4  o 155.4146 7.720849 324.1304       22.95465 322.2566      24.84824 335.0382       59.95098 154.4694 5.974064 156.3599 14.23926 -1.890503      15.44170 
1 1 1 11  21 5  o 115.4778 12.50887 200.7709       24.30018 205.1251      26.06739 171.8846       67.14098 123.0300 7.868705 107.9256 23.74808 15.10439       25.01775 
1 1 1 11  21 6  f 82.99742 14.97490 83.30148       24.60634 77.17875      26.29736 126.3682       69.74459 73.84674 13.73043 92.14810 26.61701 -18.30136      29.94979 
1 1 1 11  21 7  o 61.68911 16.11383 -94.44139      37.46568 -152.3041     41.61587 153.0291       86.06396 24.12936 12.25053 99.24886 29.80849 -75.11949      32.22766 
1 1 1 11  21 8  o 125.6487 15.49012 225.0259       34.42625 224.8662      36.95842 226.0731       94.63560 128.5735 10.67526 122.7239 29.08288 5.849564       30.98023 
1 1 1 11  21 9  o 283.0410 7.799793 1094.303       58.31877 1047.066      74.83186 1167.372       93.06989 275.9360 10.07151 290.1461 11.91267 -14.21008      15.59959 
1 1 1 11  21 10 o 74.88676 14.47321 58.82634       22.30707 45.98053      23.86499 147.6896       62.76845 55.45278 15.42239 94.32074 24.49581 -38.86796      28.94641 
1 1 1 11  21 11 o 141.3223 8.944752 260.2379       23.02983 251.8111      24.59505 320.1945       65.60451 135.6397 6.734066 147.0048 16.57368 -11.36507      17.88950 
1 1 1 11  21 12 o 44.63290 14.05254 -4.709334      23.86175 -13.10723     25.75211 46.27394       63.45144 30.33457 13.90957 58.93123 24.42171 -28.59666      28.10509 
1 1 1 11  21 13 o 42.66729 13.23489 14.44519       23.76031 19.76859      25.48221 -20.99888      65.75283 40.38952 15.91956 44.94506 21.14752 -4.555534      26.46979 
1 1 1 11  21 14 o 76.08948 14.65049 99.60490       24.06549 93.33021      25.75890 142.6754       67.48709 77.87920 12.28351 74.29976 26.60192 3.579445       29.30097 
1 1 1 11  23 0  o 400.2915 5.022888 2165.449       54.08960 2106.118      74.57592 2231.303       78.56864 394.5375 7.019835 406.0456 7.186064 -11.50806      10.04578 
1 1 1 11  23 1  o 148.3306 5.525553 297.1797       22.06936 297.1797      22.06936 0.000000       0.000000 148.3306 5.525553 ?        ?        ?              ?        
1 1 1 11  23 2  f 36.37145 9.955752 7.662709       15.77947 24.24772      19.39080 -24.85038      27.14981 43.05649 14.31088 29.68641 13.84438 13.37008       19.91150 
1 1 1 11  23 3  o 27.54245 8.614327 -22.57559      14.24527 10.80259      21.24722 -49.83070      19.19972 36.34571 14.46951 18.73919 9.352002 17.60652       17.22865 
1 1 1 11  23 4  o 43.59943 17.04971 -71.33424      19.74717 16.27182      29.02826 -146.7989      26.94174 43.59943 17.04971 ?        ?        ?              ?        
1 1 1 11  23 5  o 207.0119 5.280764 571.3991       29.10204 630.3936      45.43900 530.3701       37.89385 215.9080 7.815857 198.1159 7.103398 17.79214       10.56153 
1 1 1 11  23 6  o 334.6932 7.719522 1519.339       55.17728 1492.508      61.37402 1632.443       126.0100 330.6301 6.893801 338.7563 13.81447 -8.126160      15.43904 
1 1 1 11  23 7  o 40.19803 13.48816 -33.78917      27.16067 -39.77730     29.70673 -3.279347      67.05466 28.00589 13.46393 52.39016 23.37616 -24.38427      26.97632 
1 1 1 11  23 8  o 76.29078 14.10193 64.50648       25.69957 41.95514      28.70312 155.6589       57.70681 53.62902 17.39118 98.95254 22.20371 -45.32351      28.20387 
1 1 1 11  23 9  o 154.9876 7.908795 313.9741       27.16249 295.5429      30.35404 388.0533       60.85398 146.4124 7.699370 163.5628 13.81723 -17.15041      15.81759 
1 1 1 11  23 10 o 83.91358 15.26470 115.2708       31.47207 110.2356      36.31800 130.4527       63.06319 84.00565 16.64419 83.82152 25.59327 0.1841278      30.52940 
1 1 1 11  23 11 o 51.88471 12.51592 37.68080       29.72277 79.44262      33.74738 -106.7518      62.76001 68.75198 18.01306 35.01744 17.38167 33.73454       25.03183 
1 1 1 11  23 12 o 44.66352 14.07685 8.008006       26.77248 -5.263697     29.68723 65.81282       61.95671 33.04073 15.06859 56.28632 23.78169 -23.24559      28.15370 
1 1 1 11  25 0  o 144.4581 8.264202 282.1437       32.14596 282.1437      32.14596 0.000000       0.000000 144.4581 8.264202 ?        ?        ?              ?        
1 1 1 11  25 1  o 142.3334 7.290946 275.4098       27.94307 275.4098      27.94307 0.000000       0.000000 142.3334 7.290946 ?        ?        ?              ?        
1 1 1 11  25 2  o 21.12151 10.47221 -80.06204      18.94492 -51.10968     22.53029 -149.9411      35.00242 21.12151 10.47221 ?        ?        ?              ?        
1 1 1 11  25 3  o 155.9381 4.960309 333.0606       20.66917 378.2599      29.14852 287.3484       29.31342 166.7689 6.491096 145.1073 7.502288 21.66158       9.920617 
1 1 1 11  25 4  o 86.33838 7.150917 103.0982       16.44757 107.8281      25.38881 99.67754       21.59077 87.85905 10.73180 84.81771 9.453621 3.041336       14.30183 
1 1 1 11  25 5  o 53.04643 10.69690 41.09192       15.70227 43.72218      25.47880 39.48112       19.93886 54.32137 16.19711 51.77150 13.97670 2.549877       21.39380 
1 1 1 11  25 6  o 100.4493 6.839841 140.2922       17.89930 142.9883      29.34223 138.6943       22.58909 100.7709 10.81370 100.1277 8.378398 0.6431885      13.67968 
1 1 1 11  25 7  o 107.2988 6.421455 162.4549       18.29085 149.1011      27.53808 172.9968       24.46762 102.9277 9.936150 111.6698 8.137153 -8.742149      12.84291 
1 1 1 11  25 8  o 97.79347 13.78162 147.5438       26.00414 142.8107      28.22866 174.0738       66.83184 99.94719 10.48905 95.63976 25.48944 4.307426       27.56323 
1 1 1 11  25 9  o 65.52344 15.48085 69.52312       26.27687 61.96527      28.76249 107.6682       64.61698 60.68233 16.95035 70.36456 25.90970 -9.682228      30.96170 
1 1 1 11  25 10 o 42.60127 13.48764 14.11454       19.38315 10.54707      20.28539 51.56386       65.72415 33.14769 13.77852 52.05485 23.19090 -18.90716      26.97528 
1 1 1 11  27 0  o 181.2973 6.207485 447.5992       30.30334 447.5992      30.30334 0.000000       0.000000 181.2973 6.207485 ?        ?        ?              ?        
1 1 1 11  27 1  o 96.05148 9.247395 149.5023       19.70729 176.3851      24.03764 94.38630       34.41864 113.2661 7.881495 78.83691 16.73139 34.42914       18.49479 
1 1 1 11  27 2  o 119.1744 7.242513 220.3427       20.34817 257.9267      25.04977 147.4352       34.88898 137.1018 6.785430 101.2471 12.79742 35.85467       14.48503 
1 1 1 11  27 3  o 71.48405 10.43240 96.80266       19.63025 127.7646      23.55450 26.39940       35.51865 95.62254 9.148085 47.34557 18.75241 48.27697       20.86481 
1 1 1 11  27 4  o 174.1144 4.724458 417.5174       22.06164 417.5702      29.91076 417.4544       32.67144 174.3025 6.372948 173.9262 6.976213 0.3762665      9.448916 
1 1 1 11  27 5  o 100.4944 6.946017 147.0188       18.32882 119.5645      27.08594 170.2098       24.89427 90.89753 11.06645 110.0913 8.397751 -19.19376      13.89203 
1 1 1 11  27 6  o 100.5667 6.475362 150.1606       16.72423 117.7482      25.83103 173.5535       21.94464 89.78975 10.68394 111.3437 7.319468 -21.55391      12.95072 
1 1 1 11  27 7  o 138.1186 5.697625 276.8034       20.82387 240.2298      30.91013 307.1971       28.17795 128.7261 8.917654 147.5111 7.094163 -18.78499      11.39525 
1 1 1 11  27 8  o 128.7453 6.417205 243.1865       22.13652 227.3009      32.11118 257.5726       30.55807 124.1079 9.608893 133.3827 8.508306 -9.274765      12.83441 
1 1 1 11  29 0  o 53.26677 12.15105 44.45996       19.02817 38.94055      23.37332 55.30676       32.76610 49.43478 15.65858 57.09875 18.58496 -7.663975      24.30210 
1 1 1 11  29 1  o 54.84949 11.97162 50.28837       19.13365 49.76947      24.24070 51.14595       31.16316 55.04894 15.62623 54.65004 18.14111 0.3989029      23.94324 
1 1 1 11  29 2  o 139.9091 6.111985 278.4174       21.95198 274.6256      27.20140 285.4990       37.17343 139.7929 7.226412 140.0252 9.859229 -0.2323456     12.22397 
1 1 1 11  29 3  o 91.54187 9.303024 122.6840       20.11435 112.6229      23.13619 153.8292       40.70676 87.37028 9.834327 95.71347 15.79465 -8.343193      18.60605 
1 1 1 11  29 4  o 52.01394 11.99681 39.61576       20.71354 13.16457      25.82889 87.28402       34.67350 36.11695 15.31266 67.91093 18.47204 -31.79399      23.99362 
1 1 1 12  0  0  o 58.12629 8.694028 51.00053       11.95070 55.06338      17.45866 47.41840       16.39330 60.68990 12.02183 55.56268 12.56265 -0.000000      0.000000 
1 1 1 12  0  1  o 70.21685 7.951107 70.62041       13.67512 59.62188      18.39325 84.21447       20.44871 63.38387 12.04089 77.04984 10.38737 -0.000000      0.000000 
1 1 1 12  0  2  o 645.2579 9.845499 5620.667       170.8745 5589.598      240.2564 5652.468       243.0744 643.4565 13.88126 647.0593 13.96589 -0.000000      0.000000 
1 1 1 12  0  3  o 202.5608 4.510588 551.8369       24.44468 528.7059      32.83959 580.5786       36.60636 197.8299 6.178494 207.2918 6.573266 -0.000000      0.000000 
1 1 1 12  0  4  o 25.81251 11.10736 7.799909       14.34088 5.875299      19.02860 10.33027       21.81860 24.17994 14.91679 27.44509 16.46156 -0.000000      0.000000 
1 1 1 12  0  5  o 219.1794 4.852600 649.5968       28.55720 677.9113      40.48246 621.5506       40.29019 223.9663 6.726488 214.3925 6.996089 -0.000000      0.000000 
1 1 1 12  0  6  o 120.5669 5.983711 198.9028       19.09206 172.9688      26.47945 226.9823       27.55304 112.1614 8.896377 128.9725 8.004604 -0.000000      0.000000 
1 1 1 12  0  7  f 26.46932 11.27132 1.245910       16.33777 -18.91371     22.81798 22.45310       23.40333 18.86823 13.06612 34.07041 18.36974 -0.000000      0.000000 
1 1 1 12  0  8  o 35.92521 13.32236 23.75825       17.87127 12.60025      24.98696 35.44373       25.57076 29.64265 17.69837 42.20776 19.91756 -0.000000      0.000000 
1 1 1 12  0  9  o 194.0278 5.595818 507.2469       29.04297 470.4523      39.35722 551.2387       43.03462 186.3122 7.877142 201.7433 7.950053 -0.000000      0.000000 
1 1 1 12  0  10 f 127.9090 6.717496 224.7998       22.77933 210.6936      32.57575 238.2976       31.86565 123.8055 9.918146 132.0125 9.062528 -0.000000      0.000000 
1 1 1 12  0  11 o 28.44521 12.57540 -6.389676      21.71349 -33.66609     29.88418 24.11436       31.60286 20.14407 14.16747 36.74635 20.78089 -0.000000      0.000000 
1 1 1 12  0  12 f 428.0831 7.297200 2469.426       83.78985 2574.822      123.8905 2380.575       113.7512 436.4531 10.55580 419.7132 10.07827 -0.000000      0.000000 
1 1 1 12  0  13 o 273.7314 6.044816 1013.570       44.41066 1028.652      64.47314 999.9516       61.26214 275.6461 8.706142 271.8167 8.388224 -0.000000      0.000000 
1 1 1 12  0  14 o 148.9394 7.476857 304.4108       29.56621 306.3627      43.38931 302.7189       40.39677 149.2931 10.92801 148.5858 10.20746 -0.000000      0.000000 
1 1 1 12  0  15 o 68.56573 18.44310 95.22262       34.84277 58.42676      63.33282 111.1934       41.72468 54.21325 29.88085 82.91823 21.62699 -0.000000      0.000000 
1 1 1 12  0  16 o 57.99523 18.89418 76.09074       42.49032 -13.87042     80.56710 110.7538       50.01080 39.61333 26.62152 76.37712 26.81893 -0.000000      0.000000 
1 1 1 12  0  17 o 148.7734 15.01951 304.0873       51.49145 451.5481      102.1019 253.7912       59.62970 168.3747 23.91387 129.1721 18.17882 -0.000000      0.000000 
1 1 1 12  0  18 f 97.21649 21.44211 155.8150       43.20718 210.2980      90.93977 139.9304       49.10344 102.5288 36.23648 91.90414 22.93411 -0.000000      0.000000 
1 1 1 12  0  19 o 59.08495 19.60360 82.89472       40.61821 35.56325      70.67353 106.2404       49.63469 45.23373 28.27521 72.93617 27.16095 -0.000000      0.000000 
1 1 1 12  0  20 o 37.29184 16.97335 4.753341       44.25445 -72.14727     73.58747 48.32330       55.39015 29.69736 21.13835 44.88633 26.56217 -0.000000      0.000000 
1 1 1 12  0  21 o 42.10207 18.18148 47.27161       41.36544 17.83001      64.27576 68.08640       54.04463 36.28714 24.19581 47.91700 27.14457 -0.000000      0.000000 
1 1 1 12  2  0  o 512.0721 5.568131 3531.959       76.77569 3530.059      108.5076 3533.864       108.6470 511.9342 7.871589 512.2100 7.877464 -0.2757263     11.13626 
1 1 1 12  2  1  o 539.3958 5.859680 3919.730       85.10658 3928.109      120.5612 3911.406       120.1576 539.9702 8.291906 538.8214 8.281768 1.148804       11.71936 
1 1 1 12  2  2  o 707.2717 7.587914 6746.913       144.5071 6760.907      204.8076 6733.041       203.9230 708.0005 10.74309 706.5428 10.71876 1.457642       15.17583 
1 1 1 12  2  3  o 296.2239 3.656177 1182.271       29.16260 1187.560      41.35686 1177.041       41.12838 296.8827 5.173438 295.5652 5.167791 1.317505       7.312354 
1 1 1 12  2  4  o 155.2141 3.368842 324.5850       14.07878 329.5183      20.03702 319.7744       19.78615 156.3789 4.758516 154.0492 4.770001 2.329727       6.737684 
1 1 1 12  2  5  o 296.6385 3.779415 1186.150       30.18319 1199.463      43.15665 1173.403       42.22942 298.2652 5.373556 295.0118 5.316091 3.253357       7.558831 
1 1 1 12  2  6  f 45.99704 8.945099 29.91881       11.61184 36.13605      15.83556 22.68773       17.07796 50.56745 11.83883 41.42662 13.41273 9.140823       17.89020 
1 1 1 12  2  7  o 330.6317 4.112774 1474.708       36.60789 1453.152      51.14577 1497.353       52.42050 328.1587 5.788186 333.1047 5.844360 -4.946045      8.225549 
1 1 1 12  2  8  o 317.8531 4.068620 1361.937       34.81236 1339.009      48.53061 1386.241       49.96493 315.1017 5.719811 320.6046 5.787782 -5.502930      8.137239 
1 1 1 12  2  9  o 397.4827 4.720740 2130.910       50.52142 2145.067      72.00194 2117.180       70.90679 398.7798 6.705446 396.1856 6.646694 2.594147       9.441481 
1 1 1 12  2  10 o 139.0131 4.523323 260.3332       16.91716 245.6242      23.56840 275.9659       24.29721 134.9634 6.485310 143.0628 6.307342 -8.099380      9.046646 
1 1 1 12  2  11 o 125.1442 5.254954 211.9198       17.64887 195.0854      25.22406 228.0655       24.70266 120.2481 7.790282 130.0403 7.054762 -9.792175      10.50991 
1 1 1 12  2  12 o 186.3837 4.315586 467.6630       21.59035 458.9789      29.27117 478.0251       31.97431 184.4994 5.891986 188.2680 6.307267 -3.768631      8.631171 
1 1 1 12  2  13 f 371.9991 4.796008 1868.972       48.03367 1912.922      68.27992 1825.912       67.58514 376.3362 6.738041 367.6621 6.826828 8.674042       9.592016 
1 1 1 12  2  14 o 89.76196 8.355195 109.3035       20.12926 104.4301      27.18236 115.2210       29.95306 87.58106 11.52640 91.94285 12.09873 -4.361786      16.71039 
1 1 1 12  2  15 o 295.1173 7.277064 1179.168       57.82748 0.000000      0.000000 1179.168       57.82748 ?        ?        295.1173 7.277064 ?              ?        
1 1 1 12  2  16 o 164.5283 7.433269 373.8077       32.77436 402.0900      45.49097 343.2835       47.25951 171.2310 9.866417 157.8256 11.12060 13.40538       14.86654 
1 1 1 12  2  17 o 81.21320 14.58617 106.0900       32.01011 112.8104      44.42136 98.83092       46.16735 84.35493 19.88200 78.07146 21.34789 6.283470       29.17235 
1 1 1 12  2  18 o 97.64169 12.27807 143.8633       31.10170 168.7971      43.32437 117.3499       44.67564 108.3293 14.85262 86.95412 19.55515 21.37514       24.55614 
1 1 1 12  2  19 o 73.14406 14.30794 88.31889       29.13506 90.78325      39.88667 85.50001       42.65934 74.59905 19.60148 71.68907 20.84829 2.909981       28.61589 
1 1 1 12  2  20 o 120.5283 9.711415 221.5110       31.13286 231.2819      41.72923 209.2447       46.75522 124.7760 12.42012 116.2805 14.93275 8.495499       19.42283 
1 1 1 12  2  21 o 78.36237 14.13386 121.8364       30.64398 148.1549      43.23949 95.27882       43.43544 89.68977 18.51771 67.03497 21.35786 22.65479       28.26772 
1 1 1 12  4  0  f 250.9582 3.213369 847.6202       21.70473 862.7263      31.25704 833.5535       30.16246 253.1159 4.586116 248.8004 4.502277 4.315475       6.426738 
1 1 1 12  4  1  o 397.7234 4.479739 2128.470       47.93542 2185.417      69.52490 2076.871       66.18052 402.7861 6.410362 392.6606 6.259352 10.12546       8.959477 
1 1 1 12  4  2  o 349.6508 4.060128 1645.792       38.20217 1683.486      55.21459 1611.179       52.91105 353.4856 5.800945 345.8161 5.682218 7.669556       8.120256 
1 1 1 12  4  3  o 226.7650 3.215347 692.7047       19.63192 702.9750      27.89454 682.6247       27.63474 228.4307 4.535044 225.0992 4.559298 3.331451       6.430693 
1 1 1 12  4  4  o 320.8684 3.919576 1387.821       33.85999 1407.090      48.39071 1369.337       47.39532 323.0484 5.563026 318.6884 5.523138 4.359985       7.839152 
1 1 1 12  4  5  o 210.3647 3.412833 596.6895       19.32271 601.2543      26.97627 591.8796       27.69061 211.1957 4.743658 209.5337 4.907894 1.662003       6.825665 
1 1 1 12  4  6  o 194.0774 3.486248 508.0270       18.21140 524.2664      25.74414 491.7606       25.76549 197.1876 4.848591 190.9671 5.010676 6.220413       6.972497 
1 1 1 12  4  7  o 588.8059 6.494648 4692.405       102.9686 4680.776      145.1654 4704.181       146.0782 588.0776 9.167375 589.5342 9.202229 -1.456604      12.98930 
1 1 1 12  4  8  o 142.0966 4.221089 271.9591       16.13551 264.6569      22.24156 280.0722       23.44401 140.0885 5.896295 144.1046 6.041860 -4.016083      8.442178 
1 1 1 12  4  9  o 187.3734 3.905463 473.8247       19.67686 485.7585      27.33372 460.9883       28.34857 189.8326 5.347424 184.9143 5.693473 4.918289       7.810927 
1 1 1 12  4  10 o 342.2161 4.408467 1578.762       40.61776 1614.408      57.70155 1543.751       57.18629 346.0479 6.192526 338.3844 6.276222 7.663544       8.816935 
1 1 1 12  4  11 o 273.0142 4.115932 1004.603       30.25429 1026.351      43.03294 983.3468       42.54330 275.9373 5.791717 270.0912 5.849751 5.846039       8.231863 
1 1 1 12  4  12 o 467.1391 5.471597 2948.061       68.81863 2933.490      96.59393 2963.080       98.07137 465.9753 7.698454 468.3028 7.777358 -2.327515      10.94319 
1 1 1 12  4  13 o 63.69750 10.86933 56.99285       18.46254 47.11683      24.87284 69.11120       27.55219 57.66062 15.62895 69.73438 15.10978 -12.07376      21.73867 
1 1 1 12  4  14 o 141.3315 6.285560 271.2470       23.72629 275.5260      31.74573 265.8322       35.71134 142.6584 8.264274 140.0046 9.472847 2.653809       12.57112 
1 1 1 12  4  15 o 151.1715 7.086324 314.2323       28.35284 332.3246      37.49933 290.0853       43.32193 156.4708 8.900343 145.8721 11.02941 10.59872       14.17265 
1 1 1 12  4  16 o 249.7805 6.784736 834.4240       44.68226 796.0408      57.05367 895.3099       71.85748 242.5690 8.735041 256.9920 10.38410 -14.42299      13.56947 
1 1 1 12  4  17 o 123.9881 9.479095 206.5781       31.02859 167.9438      39.65239 267.6015       49.83457 109.6022 13.43589 138.3740 13.37497 -28.77176      18.95819 
1 1 1 12  4  18 o 177.6553 7.274564 438.7402       34.45625 441.6941      45.76346 434.8739       52.35624 178.7414 9.508462 176.5692 11.01210 2.172165       14.54913 
1 1 1 12  4  19 o 151.2519 8.259435 329.9115       33.21902 344.7381      44.37741 311.0155       50.09879 155.9720 10.56652 146.5319 12.69731 9.440048       16.51887 
1 1 1 12  4  20 o 67.64970 15.19323 82.96867       31.75009 57.55207      41.85838 117.4038       48.72195 56.69413 20.85694 78.60527 22.09808 -21.91114      30.38646 
1 1 1 12  4  21 o 43.09711 13.29296 21.75249       29.79288 38.61316      41.16261 3.201644       43.17648 47.12281 19.61079 39.07141 17.95072 8.051403       26.58593 
1 1 1 12  6  0  o 595.5883 6.421137 4781.140       102.9735 4809.430      146.3899 4753.432       144.8751 597.3305 9.101501 593.8460 9.060172 3.484497       12.84227 
1 1 1 12  6  1  o 119.1246 3.190533 191.1507       10.19586 169.7994      14.21979 213.7426       14.62709 112.2755 4.703537 125.9736 4.312161 -13.69806      6.381066 
1 1 1 12  6  2  o 484.6573 5.353394 3167.936       69.86138 3185.503      99.21577 3150.662       98.38728 485.9886 7.581780 483.3260 7.559888 2.662598       10.70679 
1 1 1 12  6  3  o 279.4264 3.598240 1051.609       27.05215 1033.400      37.39936 1071.592       39.17758 276.8958 5.016081 281.9570 5.160257 -5.061249      7.196480 
1 1 1 12  6  4  o 369.0762 4.344699 1836.858       43.16722 1866.892      61.88434 1808.395       60.24403 372.0096 6.177933 366.1428 6.110548 5.866821       8.689399 
1 1 1 12  6  5  o 297.2942 3.847502 1191.759       30.77862 1177.135      42.63348 1207.678       44.48032 295.3992 5.359917 299.1891 5.521266 -3.789978      7.695004 
1 1 1 12  6  6  o 58.82440 8.002353 49.49497       12.22208 33.33692      17.63346 64.43484       16.95573 48.66400 13.14643 68.98480 9.128083 -20.32080      16.00471 
1 1 1 12  6  7  o 107.4734 4.829642 155.0740       13.83805 150.4198      18.20611 161.4413       21.29478 105.5892 6.403450 109.3576 7.231707 -3.768379      9.659284 
1 1 1 12  6  8  o 318.3860 4.162243 1366.527       35.67747 1353.819      49.92202 1379.794       51.00660 316.8761 5.850853 319.8960 5.921535 -3.019836      8.324486 
1 1 1 12  6  9  f 195.3669 3.893733 513.2697       20.39541 501.8953      27.46261 527.2587       30.45604 192.9685 5.285328 197.7653 5.719260 -4.796814      7.787466 
1 1 1 12  6  10 o 238.5756 3.976883 765.4987       25.48075 745.8192      34.61861 788.7649       37.64132 235.2438 5.465224 241.9073 5.778730 -6.663513      7.953766 
1 1 1 12  6  11 f 60.28941 9.750421 53.01419       17.11765 82.80437      23.13579 16.98153       25.44462 78.25154 10.98015 42.32729 16.11581 35.92426       19.50084 
1 1 1 12  6  12 o 272.0565 4.354436 997.2300       31.73771 983.0475      42.64946 1014.830       47.51087 269.9223 5.868019 274.1907 6.435124 -4.268402      8.708873 
1 1 1 12  6  13 o 71.74051 10.79228 81.93575       20.13402 106.1676      25.19219 39.09028       33.49846 88.38922 10.58482 55.09180 18.81102 33.29742       21.58455 
1 1 1 12  6  14 o 282.3114 5.173926 1072.052       38.57671 1046.361      49.64067 1111.224       61.29575 278.1965 6.626781 286.4263 7.947566 -8.229797      10.34785 
1 1 1 12  6  15 o 283.6140 5.454480 1087.487       41.15276 1065.258      53.91401 1118.518       63.70000 280.3172 7.142801 286.9109 8.245349 -6.593689      10.90896 
1 1 1 12  6  16 o 55.50937 16.11659 8.168477       37.52152 -10.28696     46.34469 43.28191       63.92555 45.02061 19.79179 65.99812 25.44137 -20.97750      32.23319 
1 1 1 12  6  17 f 112.4431 13.07251 208.1997       34.87899 257.6617      44.52450 129.6337       56.11522 135.3344 12.21821 89.55189 23.11444 45.78251       26.14502 
1 1 1 12  6  18 o 82.27527 14.27716 104.0990       31.81320 72.91818      41.70306 147.5028       49.20263 67.56703 20.84324 96.98351 19.51690 -29.41647      28.55433 
1 1 1 12  6  19 o 77.14295 14.92618 101.9083       31.55889 96.47452      41.17958 109.6418       49.12680 75.55128 19.94789 78.73463 22.20913 -3.183350      29.85237 
1 1 1 12  6  20 o 53.44547 14.75601 50.63697       30.79488 36.04855      41.09075 69.32917       46.51253 48.07572 19.76107 58.81522 21.91939 -10.73950      29.51203 
1 1 1 12  8  0  o 310.4628 3.702242 1298.314       30.93767 1283.590      43.05648 1314.030       44.48335 308.6464 5.180766 312.2793 5.290185 -3.632935      7.404484 
1 1 1 12  8  1  o 370.5276 4.267102 1850.338       42.56894 1875.638      60.73137 1825.901       59.68539 373.0161 6.046472 368.0391 6.022693 4.977051       8.534204 
1 1 1 12  8  2  o 404.3219 4.596662 2205.451       50.04384 2207.872      70.67313 2203.017       70.87265 404.5460 6.487884 404.0978 6.513415 0.4481812      9.193324 
1 1 1 12  8  3  o 188.9003 3.185568 480.9085       16.20282 484.7441      23.01780 477.1412       22.81207 189.6467 4.507493 188.1538 4.502652 1.492920       6.371135 
1 1 1 12  8  4  o 161.2178 3.282962 350.3783       14.24964 346.6143      19.95430 354.2952       20.35577 160.3355 4.621931 162.1001 4.663596 -1.764618      6.565925 
1 1 1 12  8  5  o 242.5164 3.550428 792.9574       23.18137 780.0919      32.44122 806.3804       33.13665 240.5079 5.009386 244.5248 5.032713 -4.016953      7.100856 
1 1 1 12  8  6  o 308.2212 3.983391 1279.571       33.00748 1255.463      45.24639 1306.996       48.25830 305.1327 5.506958 311.3097 5.756998 -6.176971      7.966782 
1 1 1 12  8  7  o 229.1703 3.746521 708.1037       23.05010 710.0826      31.43144 705.8012       33.90437 229.5277 5.085642 228.8129 5.502902 0.7148438      7.493042 
1 1 1 12  8  8  o 35.40404 9.138632 9.650743       13.16368 25.50318      16.91501 -14.69408      20.96176 43.33409 13.25903 27.47398 12.58001 15.86010       18.27726 
1 1 1 12  8  9  o 248.2887 4.028207 830.3676       26.80589 825.4103      36.15509 836.4191       39.94631 247.4791 5.425596 249.0982 5.955561 -1.619080      8.056414 
1 1 1 12  8  10 o 293.4628 4.315893 1152.401       33.73685 1105.586      44.18463 1217.852       52.24385 286.3923 5.729630 300.5334 6.455934 -14.14111      8.631786 
1 1 1 12  8  11 o 50.91203 10.94971 36.43719       17.83870 51.88861      22.23712 8.542892       29.87803 60.53557 13.93134 41.28849 16.89681 19.24709       21.89941 
1 1 1 12  8  12 o 338.6169 4.727153 1550.572       42.95875 1568.389      58.60940 1529.888       63.15008 340.7719 6.387342 336.4619 6.970350 4.309906       9.454307 
1 1 1 12  8  13 o 377.2139 5.226704 1922.957       52.80953 1911.785      71.03901 1936.756       78.95447 376.0732 7.015216 378.3545 7.749870 -2.281250      10.45341 
1 1 1 12  8  14 o 200.3228 6.708691 553.5349       34.93155 579.7115      44.59818 511.9872       56.18659 206.8113 8.008655 193.8344 10.76511 12.97688       13.41738 
1 1 1 12  8  15 o 384.6590 9.637511 2009.287       99.82151 0.000000      0.000000 2009.287       99.82151 ?        ?        384.6590 9.637511 ?              ?        
1 1 1 12  8  16 o 143.6165 9.636930 281.5593       36.38620 243.5115      45.79306 346.7216       59.92846 131.3174 12.95072 155.9157 14.27447 -24.59827      19.27386 
1 1 1 12  8  17 o 68.54684 15.65005 70.88416       31.57095 63.94562      38.75471 84.57333       54.43515 64.43800 20.12852 72.65568 23.96955 -8.217682      31.30010 
1 1 1 12  8  18 o 52.48012 14.59726 35.70991       30.09974 38.64440      39.36047 31.57679       46.71240 52.77938 20.05630 52.18086 21.21473 0.5985146      29.19452 
1 1 1 12  8  19 o 116.0681 10.62806 209.5995       32.31589 218.5798      42.03378 196.6195       50.53461 121.0898 12.89162 111.0464 16.90056 10.04339       21.25612 
1 1 1 12  8  20 o 36.43668 11.79852 -2.600360      26.49049 -17.81207     38.35708 11.27162       36.62906 33.75969 15.96575 39.11367 17.37570 -5.353977      23.59703 
1 1 1 12  10 0  f 276.9331 4.908553 1033.740       36.60258 1033.740      36.60258 0.000000       0.000000 276.9331 4.908553 ?        ?        ?              ?        
1 1 1 12  10 1  o 159.6490 2.927499 343.6738       12.57084 324.4758      17.75464 362.9726       17.80116 155.1716 4.249288 164.1264 4.027972 -8.954834      5.854998 
1 1 1 12  10 2  o 355.5134 4.191376 1704.756       40.11520 1745.211      57.39755 1666.126       56.08804 359.6349 5.927180 351.3919 5.927821 8.243011       8.382751 
1 1 1 12  10 3  o 223.3456 3.314601 672.1946       19.91319 666.1736      27.48594 678.8462       28.88946 222.2995 4.591861 224.3918 4.781333 -2.092331      6.629203 
1 1 1 12  10 4  o 343.1391 4.204983 1587.437       38.79478 1562.539      53.25274 1615.594       56.63120 340.2928 5.811735 345.9854 6.078755 -5.692535      8.409966 
1 1 1 12  10 5  o 127.5567 4.105577 220.9574       13.74848 226.6164      17.70872 212.3711       21.81330 129.6530 5.072490 125.4605 6.457005 4.192474       8.211155 
1 1 1 12  10 6  o 145.8055 4.291389 288.3615       16.11215 292.5895      20.12148 280.8061       26.89809 147.3382 5.071791 144.2728 6.923946 3.065414       8.582779 
1 1 1 12  10 7  o 459.1072 5.323459 2844.844       65.79681 2863.165      92.31021 2825.924       93.80939 460.6222 7.442546 457.5922 7.613499 3.029968       10.64692 
1 1 1 12  10 8  o 292.0766 4.236199 1152.074       33.09222 1169.067      44.48136 1131.011       49.52237 294.5152 5.609020 289.6380 6.349836 4.877258       8.472398 
1 1 1 12  10 9  o 404.4343 5.012597 2204.739       54.42218 2188.377      74.00645 2224.005       80.30840 402.8285 6.822854 406.0402 7.345284 -3.211761      10.02519 
1 1 1 12  10 10 o 208.9427 4.599749 596.0551       25.13650 620.5630      32.32032 558.5388       39.98822 214.5057 5.595688 203.3797 7.301988 11.12598       9.199497 
1 1 1 12  10 11 o 232.0218 7.244809 727.5898       45.26255 0.000000      0.000000 727.5898       45.26255 ?        ?        232.0218 7.244809 ?              ?        
1 1 1 12  10 12 o 269.8268 4.885019 984.2001       34.73646 984.2609      44.75426 984.1077       55.09035 269.9491 6.156999 269.7045 7.585844 0.2445984      9.770039 
1 1 1 12  10 13 o 56.55401 14.67269 36.66008       26.83271 36.37062      31.27295 37.46783       52.24218 53.03531 18.17509 60.07272 23.03948 -7.037415      29.34538 
1 1 1 12  10 14 o 142.3550 9.536149 287.7893       32.96124 277.1748      38.78092 315.4099       62.55830 140.0815 10.28144 144.6286 16.06376 -4.547104      19.07230 
1 1 1 12  10 15 o 82.78285 16.06442 113.8036       36.94861 132.9566      42.97402 59.50636       72.35625 95.54414 17.34265 70.02158 27.04617 25.52256       32.12885 
1 1 1 12  10 16 o 134.9793 10.07858 243.7840       33.50181 219.9429      39.28996 307.2936       64.12672 125.0875 11.66499 144.8710 16.43895 -19.78355      20.15716 
1 1 1 12  10 17 o 57.44661 14.42367 48.55411       31.41474 73.55993      37.84490 -6.858106      56.33648 67.89850 19.60521 46.99473 21.16140 20.90377       28.84734 
1 1 1 12  10 18 o 68.24496 14.80890 83.17780       30.66859 95.88330      38.39833 60.79345       50.96693 76.09544 18.84000 60.39447 22.85319 15.70097       29.61780 
1 1 1 12  10 19 o 48.24574 14.11201 34.01372       29.49659 23.83662      38.36272 48.73087       46.13274 44.10390 18.67825 52.38757 21.15934 -8.283661      28.22401 
1 1 1 12  12 0  o 136.5360 5.157055 249.9778       12.13108 249.4012      12.89530 254.4142       35.77036 136.0468 3.520139 137.0251 9.694818 -0.9783325     10.31411 
1 1 1 12  12 1  o 352.8665 5.497808 1682.840       47.50354 1683.329      56.47293 1681.656       87.84501 353.2212 5.937590 352.5117 9.254653 0.7095032      10.99562 
1 1 1 12  12 2  o 235.5726 3.493401 750.7346       22.02030 771.7533      29.77022 725.3422       32.72136 239.2491 4.621131 231.8961 5.240281 7.353058       6.986802 
1 1 1 12  12 3  o 256.7010 3.810144 889.0656       26.02441 892.2739      34.30231 884.7142       39.94749 257.2766 4.951532 256.1253 5.792334 1.151276       7.620289 
1 1 1 12  12 4  o 164.0108 4.110624 360.2584       16.62317 356.6680      19.80848 368.8080       30.56677 162.6878 4.521815 165.3338 6.866012 -2.646011      8.221249 
1 1 1 12  12 5  o 317.3946 4.279909 1359.238       36.32847 1365.825      48.68304 1350.962       54.57227 318.2920 5.680266 316.4972 6.403520 1.794769       8.559818 
1 1 1 12  12 6  o 184.1200 4.449584 456.3192       20.52660 454.9672      24.81851 459.2463       36.51762 183.7400 5.016360 184.4999 7.350601 -0.7599335     8.899168 
1 1 1 12  12 7  o 232.3687 4.417705 745.9771       26.44131 797.9075      33.57145 661.1285       42.91234 243.3351 5.123679 221.4023 7.198082 21.93288       8.835410 
1 1 1 12  12 8  f 135.8636 5.864807 239.3056       18.81143 229.4082      21.65791 269.7095       37.95958 130.4451 6.166025 141.2820 9.978175 -10.83690      11.72961 
1 1 1 12  12 9  o 62.77840 10.73530 68.31116       18.31426 85.24681      20.74084 8.372310       39.01930 79.34661 9.707659 46.21019 19.15067 33.13643       21.47060 
1 1 1 12  12 10 o 92.61711 10.19729 125.4810       20.24952 130.8183      23.14835 108.0846       41.79160 98.29202 8.746180 86.94221 18.42399 11.34982       20.39458 
1 1 1 12  12 11 o 219.8288 6.120463 640.5207       30.69795 628.3330      34.93823 681.7878       64.28970 215.7011 6.015408 223.9564 10.66092 -8.255234      12.24093 
1 1 1 12  12 12 o 104.5684 13.53086 161.9875       28.75812 165.9804      31.95310 144.9635       65.97879 110.3663 10.75210 98.77050 24.83404 11.59579       27.06173 
1 1 1 12  12 13 o 94.94643 14.47671 140.1635       31.64996 145.0440      36.24190 124.4816       64.96466 101.7568 13.22709 88.13609 25.75548 13.62068       28.95342 
1 1 1 12  12 14 f 53.60355 16.68405 -0.4827080     37.70452 4.281339      41.65419 -22.09037      88.71040 46.22776 19.51400 60.97934 27.06722 -14.75158      33.36811 
1 1 1 12  12 15 o 96.99397 14.68606 141.2731       33.06791 138.6490      37.96380 149.5242       67.31850 98.73483 14.27960 95.25311 25.66739 3.481720       29.37213 
1 1 1 12  12 16 o 124.4371 11.41016 191.8994       33.62546 159.2712      38.14946 305.5140       71.18840 105.7939 13.39196 143.0804 18.47761 -37.28642      22.82032 
1 1 1 12  12 17 f 158.3387 9.968441 366.6189       37.40107 362.9957      43.69561 376.5475       72.33330 160.2613 10.12572 156.4161 17.17408 3.845200       19.93688 
1 1 1 12  12 18 o 58.62015 16.11865 55.06487       32.43676 41.90295      37.37876 95.20142       65.27325 50.81334 19.48831 66.42696 25.67975 -15.61363      32.23730 
1 1 1 12  12 19 o 43.07787 12.83614 25.38547       25.51469 39.00944      37.87675 14.06766       34.52250 47.05021 19.11317 39.10553 17.13922 7.944679       25.67228 
1 1 1 12  14 0  o 330.2187 6.459447 1476.734       57.31160 1435.592      83.13142 1514.000       79.11903 325.7739 9.476882 334.6635 8.779893 -8.889587      12.91889 
1 1 1 12  14 1  o 399.9759 7.156755 2160.900       76.86214 2218.057      113.6286 2112.687       104.3608 404.7796 10.42523 395.1722 9.807713 9.607361       14.31351 
1 1 1 12  14 2  o 321.5166 5.046208 1437.466       35.84688 1471.300      40.69509 1320.306       75.72740 330.4276 4.573855 312.6057 8.996483 17.82184       10.09242 
1 1 1 12  14 3  o 311.4632 4.933243 1295.408       32.22649 1287.567      35.67957 1330.138       75.08872 309.1291 4.286436 313.7973 8.886733 -4.668213      9.866487 
1 1 1 12  14 4  o 488.7371 6.566257 3192.348       71.87308 3165.011      81.35213 3289.574       153.4220 484.4793 6.236060 492.9949 11.55744 -8.515594      13.13251 
1 1 1 12  14 5  o 244.7031 5.272899 804.9413       28.88397 802.7257      32.73073 812.7401       61.40765 244.0741 4.980245 245.3322 9.295753 -1.258102      10.54580 
1 1 1 12  14 6  o 163.7187 6.104168 379.8247       20.61700 390.6568      22.92664 334.0426       47.13365 170.2663 5.000670 157.1710 11.13718 13.09534       12.20834 
1 1 1 12  14 7  o 282.2845 5.347813 1098.466       37.03471 1133.985      44.46034 1017.962       66.93444 290.0362 5.692948 274.5329 9.054653 15.50323       10.69563 
1 1 1 12  14 8  o 127.8448 7.552290 237.7726       19.99424 248.1284      22.36180 196.4891       44.64809 135.5975 6.124514 120.0920 13.80720 15.50555       15.10458 
1 1 1 12  14 9  o 305.4481 5.817204 1289.939       43.18683 1328.265      51.48898 1198.995       79.31419 313.6341 6.096879 297.2620 9.908961 16.37216       11.63441 
1 1 1 12  14 10 o 50.43108 13.85505 23.87285       22.10795 24.78852      24.30102 19.47561       53.25321 45.27181 15.98908 55.59034 22.63181 -10.31853      27.71009 
1 1 1 12  14 11 o 66.41888 15.23359 62.37927       28.40843 68.22344      31.78295 39.15874       63.35321 68.79639 17.20246 64.04137 25.14607 4.755020       30.46719 
1 1 1 12  14 12 o 93.41383 15.80977 125.5540       32.74938 109.7711      36.38100 192.9796       75.19568 84.26341 16.62486 102.5643 26.89626 -18.30084      31.61953 
1 1 1 12  14 13 o 80.45121 17.88337 82.90738       39.22380 70.38376      45.62838 118.3622       76.77287 70.61294 21.80531 90.28948 28.35116 -19.67654      35.76674 
1 1 1 12  14 14 o 94.49301 15.50006 134.0724       35.03497 129.6878      40.33474 147.5459       70.70560 94.94794 15.77649 94.03809 26.68539 0.9098511      31.00013 
1 1 1 12  14 15 o 248.1938 7.811269 845.0580       52.20306 845.0580      52.20306 0.000000       0.000000 248.1938 7.811269 ?        ?        ?              ?        
1 1 1 12  14 16 o 80.74464 15.87629 92.70033       31.29970 72.58450      35.46222 163.6145       66.58300 66.78240 18.88035 94.70688 25.52956 -27.92448      31.75257 
1 1 1 12  14 17 o 152.3465 9.935102 333.8034       40.75568 333.8034      40.75568 0.000000       0.000000 152.3465 9.935102 ?        ?        ?              ?        
1 1 1 12  14 18 o 37.49072 12.88326 -23.75306      32.22911 -29.07269     36.27430 -3.812891      70.22997 31.02466 14.90558 43.95679 21.01755 -12.93213      25.76652 
1 1 1 12  16 0  o 433.6191 7.397891 2542.304       86.35600 2581.193      123.8087 2505.460       120.5098 436.8351 10.52568 430.4031 10.39833 6.432037       14.79578 
1 1 1 12  16 1  o 199.8688 6.604535 534.8155       35.27023 578.2636      54.04588 502.5853       46.54881 206.8463 9.703570 192.8913 8.962155 13.95493       13.20907 
1 1 1 12  16 2  o 316.8024 6.360431 1352.807       54.21003 1291.212      74.87352 1420.668       78.59061 309.2368 8.991944 324.3679 8.998070 -15.13107      12.72086 
1 1 1 12  16 3  f 224.7763 4.877241 681.9909       19.98224 682.2275      21.45107 680.4384       54.94546 225.0582 3.539735 224.4943 9.089565 0.5639496      9.754482 
1 1 1 12  16 4  o 721.0776 9.758748 7015.567       176.6697 6958.623      213.7846 7138.214       313.7469 717.3558 11.06773 724.7996 16.07601 -7.443787      19.51750 
1 1 1 12  16 5  o 181.2135 5.666363 418.6634       20.57933 407.2133      22.39548 480.7940       52.16862 173.8370 4.784480 188.5900 10.27324 -14.75299      11.33273 
1 1 1 12  16 6  o 635.7825 8.261007 5447.114       119.1555 5411.665      135.7023 5566.467       248.9976 632.7427 7.964836 638.8223 14.47544 -6.079590      16.52201 
1 1 1 12  16 7  o 150.3188 6.948021 319.3852       21.23948 326.7036      23.49749 286.7028       49.65577 155.5914 5.608576 145.0463 12.71392 10.54501       13.89604 
1 1 1 12  16 8  o 141.4541 6.929811 273.4500       16.03213 273.9409      16.93905 269.2304       49.66241 142.5252 4.413815 140.3831 13.13801 2.142075       13.85962 
1 1 1 12  16 9  o 204.6284 6.894825 574.1199       31.52708 578.5513      35.81100 558.8507       66.47359 206.9036 6.427839 202.3531 12.19989 4.550522       13.78965 
1 1 1 12  16 10 o 159.9165 9.079685 361.5819       30.52595 369.0651      34.08760 331.2816       68.59271 165.0769 7.668790 154.7562 16.46063 10.32068       18.15937 
1 1 1 12  16 11 o 55.95586 16.67300 3.815437       35.95087 -7.457543     40.52352 45.48066       77.90667 42.26176 18.54471 69.64997 27.71369 -27.38821      33.34599 
1 1 1 12  16 12 o 36.66669 12.70447 -42.78256      27.07538 -44.19964     29.42864 -34.96997      69.09875 26.79267 13.00592 46.54070 21.82797 -19.74803      25.40894 
1 1 1 12  16 13 o 76.54570 14.65395 96.26955       25.93903 100.5783      27.91417 69.01469       70.20583 84.40549 12.28204 68.68591 26.61023 15.71959       29.30790 
1 1 1 12  16 14 o 84.21968 14.93898 112.5428       26.03052 113.5682      27.91306 105.7012       72.10204 89.83974 11.53867 78.59962 27.55997 11.24012       29.87796 
1 1 1 12  16 15 o 198.6162 8.529380 585.2308       31.07898 592.6635      33.62932 541.7270       81.35896 207.9998 6.004431 189.2327 15.96709 18.76714       17.05876 
1 1 1 12  16 16 o 88.40755 14.17298 139.8004       25.83004 141.0739      28.11371 132.9035       65.42682 98.54281 10.59522 78.27230 26.29135 20.27051       28.34597 
1 1 1 12  16 17 o 87.91294 14.68707 165.1591       28.17530 168.4616      30.41668 145.1960       74.78305 105.8390 10.67291 69.98691 27.36658 35.85207       29.37415 
1 1 1 12  18 0  o 751.7646 11.69649 7677.499       236.6967 7546.478      329.8783 7816.539       339.8226 745.1998 16.43984 758.3295 16.64221 -13.12976      23.39298 
1 1 1 12  18 1  o 494.2931 8.214854 3305.384       109.3348 3317.295      155.2337 3293.659       154.0190 495.1716 11.64252 493.4146 11.59255 1.756958       16.42971 
1 1 1 12  18 2  o 246.3424 6.524440 818.0284       43.21746 791.6537      59.25107 848.0120       63.17490 242.1191 9.088325 250.5658 9.363526 -8.446716      13.04888 
1 1 1 12  18 3  o 488.8350 6.711375 3212.798       74.05099 3195.375      84.15785 3272.547       155.8483 486.5992 6.423029 491.0709 11.78622 -4.471649      13.42275 
1 1 1 12  18 4  o 258.1764 5.357364 977.8480       29.93343 1039.916      34.13366 771.1799       62.28526 277.7367 4.564217 238.6161 9.693983 39.12064       10.71473 
1 1 1 12  18 5  f 351.6950 5.514485 1724.195       43.10537 1766.049      49.06418 1582.601       90.24483 361.8211 5.036018 341.5689 9.812070 20.25220       11.02897 
1 1 1 12  18 6  o 43.71690 12.73824 9.802535       11.99677 8.849771      12.31800 27.35904       52.87696 29.83770 11.24838 57.59610 22.85881 -27.75839      25.47648 
1 1 1 12  18 7  o 116.4292 11.16535 217.7757       24.47702 234.8993      27.30868 147.8140       55.19933 131.7424 7.698241 101.1160 20.96181 30.62642       22.33071 
1 1 1 12  18 8  o 252.4066 6.869733 826.4667       39.09246 795.4810      44.09267 940.3110       84.51663 242.4955 6.752729 262.3176 11.96552 -19.82208      13.73947 
1 1 1 12  18 9  o 176.0105 9.530532 461.4523       36.02794 467.8624      40.61125 437.7653       78.06763 183.4229 8.222602 168.5980 17.19631 14.82492       19.06106 
1 1 1 12  18 10 o 178.6209 11.28529 444.1565       47.31727 452.2209      55.14341 421.6394       92.14272 182.5049 11.22111 174.7369 19.58362 7.767944       22.57059 
1 1 1 12  18 11 o 81.84131 13.58965 128.9507       21.90121 139.0961      23.05272 34.94179       70.17337 100.8799 8.486606 62.80268 25.82038 38.07724       27.17930 
1 1 1 12  18 12 f 116.8042 12.16688 189.6870       22.28567 186.3860      23.49598 219.2744       70.34370 116.6490 7.480471 116.9594 23.15544 -0.3103638     24.33376 
1 1 1 12  18 13 o 92.37838 14.10853 140.0510       21.85027 141.3276      23.04068 128.6459       68.86889 100.9535 8.475996 83.80330 26.91394 17.15016       28.21706 
1 1 1 12  18 14 o 257.4108 7.001866 943.7436       35.14899 946.2899      38.37795 930.4930       87.54671 263.0356 5.418560 251.7860 12.91293 11.24957       14.00373 
1 1 1 12  18 15 o 73.22842 13.30135 109.1749       23.38217 115.7798      24.96616 62.02277       66.70688 89.05626 10.41127 57.40059 24.48079 31.65567       26.60270 
1 1 1 12  18 16 o 69.74673 13.01080 107.0531       25.69310 116.8111      28.21024 59.57715       62.22458 86.80497 12.06921 52.68850 23.05337 34.11647       26.02160 
1 1 1 12  20 0  o 322.1183 5.778659 1399.888       50.12171 1399.888      50.12171 0.000000       0.000000 322.1183 5.778659 ?        ?        ?              ?        
1 1 1 12  20 1  o 203.0745 5.680607 562.3312       23.01060 564.6164      25.20085 550.8726       56.43143 204.6355 4.573523 201.5135 10.40000 3.122009       11.36121 
1 1 1 12  20 2  o 201.2791 5.681619 543.5536       20.95248 541.8503      22.49803 554.6884       57.52291 200.4764 4.167713 202.0818 10.57135 -1.605347      11.36324 
1 1 1 12  20 3  o 239.6885 5.670989 789.3953       25.25524 793.9743      27.25127 761.5284       67.22775 242.6641 4.170593 236.7128 10.54735 5.951309       11.34198 
1 1 1 12  20 4  o 193.8666 6.079140 489.4506       20.02709 483.9558      21.20232 534.9343       61.00090 189.4606 4.156051 198.2726 11.42589 -8.811996      12.15828 
1 1 1 12  20 5  o 213.2074 7.033469 632.4611       26.02961 637.0164      27.77671 599.6284       74.57164 217.2661 4.747941 209.1486 13.24144 8.117508       14.06694 
1 1 1 12  20 6  o 67.37549 14.85912 58.24281       21.78252 58.06613      23.03536 59.73580       66.96231 63.88106 13.79541 70.86992 26.32223 -6.988857      29.71823 
1 1 1 12  20 7  o 87.22967 17.80637 117.3486       38.28217 104.6073      43.13387 164.6206       83.08311 80.85493 19.93760 93.60440 29.50864 -12.74947      35.61274 
1 1 1 12  20 8  o 172.6047 13.50383 456.1104       51.53115 502.1209      60.03259 327.2910       100.4498 192.2685 11.59566 152.9409 24.39170 39.32764       27.00767 
1 1 1 12  20 9  o 39.35253 13.17066 -12.45814      20.10699 -11.31534     21.01879 -24.77927      69.01583 28.06577 12.75298 50.63929 23.04837 -22.57351      26.34133 
1 1 1 12  20 10 o 42.34328 12.67674 14.95689       19.21410 21.27487      20.13022 -49.75498      64.42458 40.67910 14.53251 44.00746 20.77511 -3.328362      25.35348 
1 1 1 12  20 11 o 66.76970 11.01480 97.15655       20.31224 114.6631      21.43871 -56.42205      63.49857 91.06056 8.743492 42.47884 20.22014 48.58173       22.02959 
1 1 1 12  20 12 o 51.92870 12.45023 44.62997       19.69873 52.57495      20.69142 -32.26199      64.37010 59.04884 13.32949 44.80857 21.03229 14.24026       24.90045 
1 1 1 12  20 13 o 75.30574 12.22416 125.6782       20.60777 137.1507      21.74045 24.10492       64.68884 98.82957 8.169551 51.78190 23.04297 47.04768       24.44831 
1 1 1 12  20 14 o 81.00237 12.82326 151.5851       22.47187 161.7102      23.82380 69.89178       67.67119 106.1146 8.337814 55.89010 24.25335 50.22455       25.64652 
1 1 1 12  22 0  f 220.8283 3.588608 657.7092       21.30825 653.6572      29.32112 662.2442       31.01938 220.1195 4.946962 221.5371 5.199999 -1.417603      7.177216 
1 1 1 12  22 1  o 187.9499 4.802911 476.6633       24.30692 476.6633      24.30692 0.000000       0.000000 187.9499 4.802911 ?        ?        ?              ?        
1 1 1 12  22 2  o 141.0535 5.047813 268.5923       19.17214 268.5923      19.17214 0.000000       0.000000 141.0535 5.047813 ?        ?        ?              ?        
1 1 1 12  22 3  o 106.1290 12.18061 139.1461       17.76861 135.8832      18.40281 184.0537       68.27160 100.2285 6.818824 112.0294 23.38744 -11.80087      24.36122 
1 1 1 12  22 4  o 51.40694 13.58807 40.39014       22.84312 49.26994      23.65863 -81.79446      87.75991 56.40610 15.22339 46.40779 22.51201 9.998310       27.17613 
1 1 1 12  22 5  o 218.9569 12.82532 633.1006       73.57575 556.8572      92.02937 768.1571       122.4852 201.6517 16.94888 236.2621 19.25334 -34.61041      25.65064 
1 1 1 12  22 6  o 240.3673 8.205592 707.8555       35.80838 671.8708      38.06872 984.1707       105.4900 221.6437 6.378661 259.0909 15.12084 -37.44713      16.41118 
1 1 1 12  22 7  o 188.4218 8.472012 513.1230       31.91202 523.4279      35.18091 465.2738       75.80938 196.1333 6.661503 180.7103 15.57961 15.42302       16.94402 
1 1 1 12  22 8  o 108.1581 13.56742 219.4092       25.75121 237.8631      28.06360 121.0717       64.78283 131.6237 7.918189 84.69258 25.95385 46.93111       27.13485 
1 1 1 12  22 9  o 97.49594 12.93907 139.9058       24.23370 137.2554      26.36569 154.3341       61.51674 99.20207 9.870404 95.78982 23.92181 3.412254       25.87814 
1 1 1 12  22 10 o 63.69631 14.90813 67.55268       26.27263 71.49698      28.28848 42.79918       70.86683 67.89044 15.77516 59.50218 25.30127 8.388260       29.81627 
1 1 1 12  22 11 o 89.68623 13.91436 116.7016       24.00528 108.7913      25.78312 168.1989       65.78564 86.71864 11.04179 92.65383 25.54440 -5.935188      27.82872 
1 1 1 12  22 12 o 86.66681 13.21043 167.5928       26.20191 185.3348      28.73075 79.90925       63.87113 113.1238 9.432125 60.20983 24.67990 52.91397       26.42087 
1 1 1 12  22 13 o 43.64172 12.79758 29.72724       22.55899 35.11866      24.24718 -4.995986      61.53465 45.17992 15.96977 42.10351 20.00196 3.076408       25.59515 
1 1 1 12  24 0  x ?        ?        ?              ?        ?             ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 1  o 190.9134 6.248195 491.8531       32.11992 491.8531      32.11992 0.000000       0.000000 190.9134 6.248195 ?        ?        ?              ?        
1 1 1 12  24 2  o 29.71569 9.197696 -23.76839      16.49361 12.28965      23.11649 -61.16058      23.54026 38.59099 15.17789 20.84039 10.39338 17.75060       18.39539 
1 1 1 12  24 3  f 172.2743 4.192854 402.8459       19.31402 412.3771      29.23119 395.4608       25.73072 173.9798 6.239707 170.5688 5.602334 3.411072       8.385708 
1 1 1 12  24 4  o 184.7628 4.127232 462.8229       20.33367 470.3836      31.10215 457.1792       26.87177 185.9685 6.211086 183.5571 5.436779 2.411392       8.254463 
1 1 1 12  24 5  o 50.82153 14.74218 26.80941       23.96893 30.25091      25.28580 -3.673202      75.25387 46.98183 16.32944 54.66123 24.54948 -7.679401      29.48436 
1 1 1 12  24 6  o 49.73389 14.71524 17.46304       24.79001 14.85803      26.83583 32.62061       64.73283 40.63028 16.23376 58.83750 24.54830 -18.20722      29.43049 
1 1 1 12  24 7  o 39.89079 12.94488 -27.53605      21.26046 -38.13067     22.90307 38.47741       57.16986 23.19321 11.30691 56.58837 23.29021 -33.39516      25.88977 
1 1 1 12  24 8  o 69.92738 14.54320 81.50371       24.44767 82.31973      26.37859 76.53413       65.09728 73.80089 13.78096 66.05386 25.61453 7.747025       29.08640 
1 1 1 12  24 9  o 155.6076 11.30095 426.6107       33.69406 461.3109      37.82675 293.3277       74.13441 181.5704 7.736964 129.6448 21.23642 51.92560       22.60191 
1 1 1 12  24 10 o 39.46178 12.97453 0.9452227      26.51039 1.405956      29.14416 -1.263822      63.81587 34.46900 15.39321 44.45457 20.89026 -9.985577      25.94906 
1 1 1 12  24 11 o 37.31558 11.38276 10.81968       22.53193 28.40695      24.02763 -117.3959      64.87572 41.88865 15.72606 32.74251 16.46084 9.146141       22.76551 
1 1 1 12  26 0  o 190.3108 4.806772 489.5718       23.91522 473.1975      30.16342 517.2878       39.24321 186.3811 6.010288 194.2405 7.503111 -7.859360      9.613544 
1 1 1 12  26 1  o 171.6989 5.938015 401.2138       27.45315 401.2138      27.45315 0.000000       0.000000 171.6989 5.938015 ?        ?        ?              ?        
1 1 1 12  26 2  o 50.65438 8.881891 35.34260       15.45865 68.32722      20.91273 -4.392447      22.95313 69.90861 11.10956 31.40015 13.86108 38.50845       17.76378 
1 1 1 12  26 3  o 132.8556 4.301864 242.2210       15.31484 218.2324      21.87243 265.2933       21.45063 126.2587 6.433573 139.4525 5.712555 -13.19371      8.603728 
1 1 1 12  26 4  o 197.4745 3.999042 533.8163       21.11420 521.7676      31.59066 543.5443       28.38577 195.2751 6.007981 199.6740 5.279537 -4.398880      7.998084 
1 1 1 12  26 5  o 165.3205 4.284099 376.2314       18.98405 361.1622      27.86147 389.2904       25.93676 162.0469 6.385281 168.5941 5.713336 -6.547241      8.568198 
1 1 1 12  26 6  o 141.7483 4.867943 281.1192       18.38479 257.2321      27.26974 301.0233       24.89260 135.8177 7.456605 147.6789 6.259914 -11.86121      9.735887 
1 1 1 12  26 7  o 53.22672 15.16118 43.85246       26.07629 41.24122      27.87703 62.12795       73.74922 49.48524 17.14878 56.96821 25.00731 -7.482967      30.32237 
1 1 1 12  26 8  o 82.78778 14.93755 140.7808       28.78903 140.0667      31.28969 144.7199       73.49214 95.01275 12.23027 70.56281 27.25696 24.44994       29.87509 
1 1 1 12  28 0  o 77.81277 9.414794 94.72863       18.03193 107.7044      22.95410 73.81525       29.14112 87.26414 9.768797 68.36141 16.09733 18.90273       18.82959 
1 1 1 12  28 1  o 80.19502 9.571265 99.49902       18.06519 103.4918      21.65419 90.35812       32.76396 85.46705 9.409355 74.92300 16.67035 10.54405       19.14253 
1 1 1 12  28 2  o 125.6795 7.022879 226.7223       21.23810 226.7991      25.05808 226.5264       40.01843 127.5211 7.297641 123.8379 12.00116 3.683167       14.04576 
1 1 1 12  28 3  o 176.4471 4.917716 428.0041       22.81747 403.2985      28.94916 468.5270       37.07563 170.4125 6.308864 182.4818 7.545460 -12.06929      9.835432 
1 1 1 12  28 4  o 62.19199 10.01346 64.78521       16.49762 75.40948      22.69403 52.87807       24.02514 68.98682 12.68434 55.39716 15.49792 13.58966       20.02693 
1 1 1 12  28 5  o 115.4640 5.656384 191.8534       17.50016 186.0326      25.77567 196.8312       23.83593 113.4290 8.439227 117.4991 7.533802 -4.070122      11.31277 
1 1 1 13  1  0  o 343.0206 3.994390 1584.366       36.88902 1607.747      52.69335 1561.893       51.65990 345.5016 5.663989 340.5397 5.633813 4.961823       7.988780 
1 1 1 13  1  1  o 290.6978 3.607171 1138.199       28.23425 1146.889      40.13743 1129.686       39.72431 291.7960 5.108424 289.5997 5.094187 2.196289       7.214343 
1 1 1 13  1  2  f 44.62779 8.223490 27.92026       9.981810 27.69834      14.15099 28.14002       14.08208 44.46289 11.67162 44.79269 11.58777 -0.3297997     16.44698 
1 1 1 13  1  3  o 214.8065 3.277369 620.9708       18.94425 596.1910      26.25542 647.8818       27.36122 210.3419 4.635641 219.2710 4.634158 -8.929062      6.554738 
1 1 1 13  1  4  o 440.0697 4.988475 2613.154       59.09967 2652.345      84.62375 2575.839       82.57310 443.2843 7.089679 436.8552 7.019686 6.429077       9.976951 
1 1 1 13  1  5  f 403.4512 4.697692 2198.041       51.03284 2204.523      72.44939 2191.657       71.89644 404.0387 6.659297 402.8637 6.627747 1.175049       9.395385 
1 1 1 13  1  6  o 142.9678 3.915735 275.6766       15.06622 278.2903      21.70629 273.2469       20.92869 143.6174 5.613003 142.3182 5.461329 1.299179       7.831470 
1 1 1 13  1  7  o 96.95729 5.466804 128.0681       14.14370 143.0027      19.60308 111.8520       20.42677 102.9292 7.072978 90.98539 8.337671 11.94379       10.93361 
1 1 1 13  1  8  o 373.5346 4.537400 1880.735       45.62058 1845.016      63.47281 1918.906       65.61500 369.8722 6.373128 377.1971 6.460282 -7.324860      9.074800 
1 1 1 13  1  9  o 270.5552 3.938279 984.9738       28.66508 1030.604      41.61222 943.7670       39.54392 276.5067 5.588971 264.6037 5.550096 11.90302       7.876557 
1 1 1 13  1  10 o 78.14723 7.589186 82.54462       15.96934 82.95776      22.65146 82.13636       22.51724 78.34148 10.73794 77.95297 10.72752 0.3885117      15.17837 
1 1 1 13  1  11 o 78.10264 8.081881 84.68634       16.34278 98.46571      22.77377 70.05640       23.46613 85.35812 9.908471 70.84716 12.77064 14.51096       16.16376 
1 1 1 13  1  12 o 72.28428 9.143767 72.68980       17.22101 57.62220      24.00585 88.66483       24.71813 63.75911 14.33141 80.80946 11.35979 -17.05035      18.28753 
1 1 1 13  1  13 o 151.6608 5.147303 310.9450       21.01447 306.0552      29.30614 316.1204       30.14972 150.4381 7.234646 152.8834 7.323851 -2.445297      10.29461 
1 1 1 13  1  14 o 115.1473 7.927298 181.4953       24.32408 214.5612      34.81161 149.9503       34.00157 125.5492 10.29738 104.7453 12.05538 20.80387       15.85460 
1 1 1 13  1  15 o 175.5218 6.516061 430.4678       30.78353 414.8850      43.37276 446.2853       43.69804 172.2246 9.352730 178.8189 9.075386 -6.594299      13.03212 
1 1 1 13  1  16 o 87.21338 13.70260 124.6663       33.05835 171.3560      43.71827 62.32133       50.51877 109.4419 14.83528 64.98483 23.04255 44.45709       27.40520 
1 1 1 13  1  17 o 104.3305 15.20409 157.5714       42.71254 0.000000      0.000000 157.5714       42.71254 ?        ?        104.3305 15.20409 ?              ?        
1 1 1 13  1  18 o 104.3767 10.60979 160.5626       29.80737 164.7731      42.06459 156.3161       42.24396 105.9022 14.75123 102.8513 15.25358 3.050926       21.21958 
1 1 1 13  1  19 o 91.11079 12.55793 135.2095       29.69590 140.6326      41.95418 129.7646       42.03865 93.36780 17.32553 88.85379 18.18329 4.514008       25.11585 
1 1 1 13  1  20 o 74.21007 13.20174 102.4249       28.19206 60.17580      38.21380 152.8819       41.76113 55.12524 19.98131 93.29490 17.25953 -38.16966      26.40348 
1 1 1 13  3  0  o 656.7212 7.055854 5814.501       124.7668 5843.080      177.3404 5786.491       175.5666 658.3166 10.00436 655.1259 9.952538 3.190735       14.11171 
1 1 1 13  3  1  o 410.7026 4.636242 2270.240       51.22321 2339.475      74.43095 2207.946       70.60177 416.6385 6.634539 404.7668 6.477797 11.87173       9.272484 
1 1 1 13  3  2  o 183.6451 3.141204 454.0865       15.52842 469.1504      22.24284 439.7640       21.68866 186.6150 4.426499 180.6751 4.458111 5.939850       6.282408 
1 1 1 13  3  3  o 295.3129 3.717217 1175.670       29.55831 1181.772      41.80560 1169.570       41.79793 296.0802 5.243747 294.5457 5.270097 1.534454       7.434434 
1 1 1 13  3  4  o 110.4106 4.310174 164.4981       12.80065 165.4670      17.72982 163.4431       18.50045 110.7557 5.945042 110.0655 6.242345 0.6901703      8.620348 
1 1 1 13  3  5  o 210.6764 3.438040 597.6171       19.48567 578.9852      26.86530 618.2992       28.30481 207.2197 4.814790 214.1331 4.909001 -6.913406      6.876081 
1 1 1 13  3  6  o 393.2264 4.643113 2087.766       49.16230 2091.164      69.68018 2084.397       69.37283 393.5434 6.575568 392.9094 6.557127 0.6340332      9.286226 
1 1 1 13  3  7  o 614.8654 6.761442 5112.927       111.9377 5080.612      157.2658 5146.109       159.3626 612.9060 9.529213 616.8247 9.594919 -3.918701      13.52288 
1 1 1 13  3  8  f 247.1820 3.756825 823.4744       25.00229 816.7265      35.06796 830.4507       35.65656 246.1535 5.290797 248.2105 5.335016 -2.057083      7.513650 
1 1 1 13  3  9  o 210.6396 5.450582 598.0078       30.91479 598.0078      30.91479 0.000000       0.000000 210.6396 5.450582 ?        ?        ?              ?        
1 1 1 13  3  10 o 127.8260 5.049353 220.3672       17.36844 231.0711      24.72186 209.9346       24.40654 130.8950 7.014146 124.7570 7.265372 6.137955       10.09871 
1 1 1 13  3  11 o 108.0688 6.011012 157.5424       17.47749 162.6708      25.34892 152.8953       24.12992 109.7399 8.578508 106.3977 8.422483 3.342117       12.02202 
1 1 1 13  3  12 f 318.4927 4.404862 1367.051       37.73996 1425.914      54.84927 1314.127       52.00868 324.9869 6.267892 311.9986 6.190701 12.98831       8.809725 
1 1 1 13  3  13 o 207.0538 4.569919 579.2202       25.47818 576.4346      35.91050 582.0437       36.15392 206.5532 6.456633 207.5543 6.469045 -1.001144      9.139838 
1 1 1 13  3  14 o 254.7961 4.981869 878.9323       34.16682 904.2192      48.22997 853.4575       48.40888 258.4979 6.929095 251.0942 7.159868 7.403748       9.963737 
1 1 1 13  3  15 f 77.55441 13.69065 91.42940       28.34132 76.61388      37.10127 112.1878       43.91650 70.23462 19.10933 84.87420 19.61043 -14.63958      27.38130 
1 1 1 13  3  16 o 100.6168 12.51035 161.6478       32.39831 178.8858      43.45625 140.0764       48.61236 109.4253 14.74862 91.80840 20.21172 17.61687       25.02070 
1 1 1 13  3  17 o 64.76733 14.89407 64.99309       30.40877 78.58298      41.10847 48.57086       45.18966 70.67575 20.44057 58.85891 21.66833 11.81684       29.78815 
1 1 1 13  3  18 o 143.3552 7.988069 292.1190       30.81048 299.7369      43.15940 284.2023       43.99789 145.4433 11.02042 141.2671 11.56665 4.176254       15.97614 
1 1 1 13  3  19 f 97.67036 12.13298 151.8977       30.48773 107.4177      41.15745 205.9826       45.38409 79.10419 19.45706 116.2365 14.50032 -37.13232      24.26596 
1 1 1 13  3  20 o 55.12474 14.44303 60.65045       28.86611 45.46132      39.54311 77.97832       42.23544 49.43925 19.72149 60.81024 21.10610 -11.37099      28.88606 
1 1 1 13  5  0  o 284.5500 3.526546 1089.913       27.00791 1116.071      38.92529 1065.629       37.50424 287.8389 5.022257 281.2612 4.952075 6.577698       7.053092 
1 1 1 13  5  1  o 264.2125 3.438097 940.0316       24.45069 958.3986      35.17141 922.8531       34.01458 266.7074 4.897465 261.7176 4.826684 4.989807       6.876194 
1 1 1 13  5  2  o 134.3768 3.460410 243.3381       12.51160 243.7262      18.05184 242.9792       17.35676 134.4773 4.985274 134.2762 4.800498 0.2011719      6.920819 
1 1 1 13  5  3  o 120.4071 3.885655 193.6786       12.53934 218.6181      18.78869 173.6491       16.83788 127.3321 5.479931 113.4821 5.510318 13.84998       7.771309 
1 1 1 13  5  4  o 193.2845 3.460086 503.1057       17.99546 485.6849      24.89071 522.1835       26.04754 189.7850 4.870706 196.7840 4.915792 -6.999023      6.920172 
1 1 1 13  5  5  f 301.6874 3.868778 1227.557       31.42610 1218.549      44.16155 1236.800       44.73034 300.5676 5.456557 302.8072 5.485960 -2.239532      7.737556 
1 1 1 13  5  6  o 282.7615 3.821996 1077.939       29.09626 1069.278      40.75907 1086.940       41.54894 281.6058 5.375258 283.9172 5.434816 -2.311432      7.643993 
1 1 1 13  5  7  o 136.7047 4.274835 252.0081       15.73564 253.0035      22.27304 251.0162       22.23413 136.9744 6.038883 136.4349 6.052169 0.5395050      8.549670 
1 1 1 13  5  8  o 214.3527 3.805501 617.4338       21.92667 586.8470      29.95326 652.7480       32.18484 208.6532 5.331329 220.0521 5.431784 -11.39888      7.611001 
1 1 1 13  5  9  o 311.6874 4.212090 1309.394       35.34387 1302.118      49.43466 1317.002       50.55161 310.8049 5.906910 312.5698 6.006266 -1.764923      8.424180 
1 1 1 13  5  10 o 123.8843 5.160280 206.4351       17.14466 200.8031      23.09867 213.3441       25.58376 122.0167 7.030468 125.7518 7.555560 -3.735092      10.32056 
1 1 1 13  5  11 o 149.2590 4.790386 304.0354       19.04524 337.8327      26.15563 265.8925       27.78635 158.2215 6.139262 140.2965 7.355315 17.92506       9.580772 
1 1 1 13  5  12 o 239.1817 4.336556 773.1714       27.90244 805.8889      39.26548 739.7975       39.65746 244.3163 5.968637 234.0472 6.292715 10.26907       8.673113 
1 1 1 13  5  13 o 292.4529 4.690677 1156.915       36.71105 1167.309      49.38248 1144.074       54.88727 293.9837 6.238299 290.9220 7.006670 3.061707       9.381353 
1 1 1 13  5  14 o 55.26000 13.75802 38.41196       25.84664 48.88636      32.83960 21.36135       41.89897 59.30077 18.52967 51.21922 20.34167 8.081551       27.51604 
1 1 1 13  5  15 o 335.5065 6.181815 1515.536       55.16413 1477.884      72.16234 1568.477       85.56702 330.6301 8.105595 340.3829 9.335880 -9.752838      12.36363 
1 1 1 13  5  16 o 127.6771 9.350778 230.2811       31.12124 239.1553      39.86243 216.4291       49.80308 131.4999 11.25784 123.8544 14.93349 7.645508       18.70156 
1 1 1 13  5  17 o 116.4239 10.49701 193.1888       32.62832 185.1169      43.08091 204.0477       49.96816 113.9687 14.03834 118.8792 15.61005 -4.910454      20.99401 
1 1 1 13  5  18 o 55.13705 13.38743 33.94445       27.68915 -7.168621     36.92157 86.78641       41.85812 38.14528 17.15815 72.12881 20.55459 -33.98352      26.77486 
1 1 1 13  5  19 f 41.60402 12.81842 -13.32981      28.69033 -53.52623     36.75956 49.31972       45.89185 28.96081 14.16302 54.24723 21.36951 -25.28642      25.63684 
1 1 1 13  5  20 o 38.79220 12.47151 5.837187       28.46425 8.751898      38.58471 2.356995       42.16180 38.94864 17.52796 38.63575 17.74612 0.3128853      24.94301 
1 1 1 13  7  0  f 62.67213 5.169060 53.04041       8.708129 51.56155      12.58164 54.40028       12.06491 61.82882 7.557237 63.51543 7.054423 -1.686619      10.33812 
1 1 1 13  7  1  o 151.1876 3.167833 307.7460       12.89045 296.8649      17.93389 319.3762       18.54096 148.4250 4.487287 153.9502 4.472687 -5.525177      6.335666 
1 1 1 13  7  2  f 232.5680 3.362332 728.7965       21.05101 718.1657      29.38714 740.0010       30.16951 230.8281 4.728085 234.3079 4.781873 -3.479767      6.724663 
1 1 1 13  7  3  o 144.7749 3.378798 282.0886       13.15667 264.4649      18.20703 301.3479       19.03313 140.0490 4.828094 149.5008 4.728065 -9.451782      6.757596 
1 1 1 13  7  4  o 98.40709 4.380736 130.6577       11.60641 127.6858      16.30111 133.7134       16.52915 97.27131 6.223704 99.54286 6.166759 -2.271553      8.761473 
1 1 1 13  7  5  o 302.5786 3.903049 1234.670       31.79836 1251.870      45.12289 1217.700       44.81802 304.6738 5.500199 300.4833 5.539223 4.190430       7.806099 
1 1 1 13  7  6  o 234.8894 3.677653 743.5694       23.24836 737.9395      32.30775 749.6152       33.47986 233.9717 5.128141 235.8070 5.272826 -1.835297      7.355306 
1 1 1 13  7  7  o 281.5075 3.913399 1067.866       29.65023 1054.701      41.21076 1081.995       42.69197 279.7136 5.471592 283.3015 5.596467 -3.587921      7.826798 
1 1 1 13  7  8  o 175.8583 3.999922 417.2740       18.91894 428.2388      26.35764 405.6214       27.17178 178.2495 5.491547 173.4670 5.817251 4.782562       7.999844 
1 1 1 13  7  9  o 380.8234 4.700276 1955.111       48.18709 1936.088      67.30367 1975.118       69.02250 378.9277 6.596279 382.7191 6.697722 -3.791412      9.400553 
1 1 1 13  7  10 o 309.6109 4.329868 1292.891       36.08642 1307.877      50.60260 1277.384       51.47643 311.4439 6.034060 307.7780 6.211371 3.665894       8.659736 
1 1 1 13  7  11 o 62.11110 10.60921 56.88757       17.62365 67.56464      22.81830 41.10217       27.74502 69.41461 12.67519 54.80758 17.01650 14.60703       21.21843 
1 1 1 13  7  12 o 264.2892 4.551558 945.7689       32.22355 965.6770      43.67913 921.9948       47.73206 267.3994 6.066389 261.1789 6.787169 6.220459       9.103117 
1 1 1 13  7  13 o 99.91650 10.45580 140.9772       26.10571 145.5255      32.71848 133.0087       43.30708 103.2378 11.76985 96.59519 17.28483 6.642632       20.91159 
1 1 1 13  7  14 o 47.54208 13.94269 13.84703       28.59131 12.86269      36.33319 15.44790       46.33508 45.02056 18.55253 50.06359 20.81820 -5.043030      27.88537 
1 1 1 13  7  15 o 168.9582 9.250057 391.7044       40.94802 394.3081      52.33097 387.5927       65.76160 170.0219 11.43064 167.8945 14.54630 2.127441       18.50011 
1 1 1 13  7  16 o 124.2693 9.926024 213.8412       32.34837 192.0024      40.60322 251.7892       53.52305 116.3944 12.95523 132.1442 15.04214 -15.74979      19.85205 
1 1 1 13  7  17 o 81.17480 14.35320 104.4721       30.52155 100.5495      38.41239 111.1899       50.26893 80.29969 18.18739 82.04990 22.20981 -1.750214      28.70639 
1 1 1 13  7  18 o 55.29994 14.17466 47.94603       28.19234 62.87162      37.69214 28.99221       42.47499 61.29021 19.93231 49.30967 20.15903 11.98054       28.34931 
1 1 1 13  7  19 o 131.1418 9.073689 265.3983       31.63532 278.5152      42.46183 249.0344       47.42703 136.3102 11.56877 125.9735 13.98181 10.33666       18.14738 
1 1 1 13  9  0  o 164.0865 3.050613 363.0222       13.46820 356.9831      19.33313 368.7165       18.77304 162.7565 4.411441 165.4166 4.214754 -2.660065      6.101226 
1 1 1 13  9  1  o 197.1147 3.080728 523.5941       16.34961 528.1573      23.33128 519.1912       22.91795 197.9574 4.377069 196.2719 4.336450 1.685532       6.161455 
1 1 1 13  9  2  o 346.5612 4.132845 1620.713       38.56538 1614.302      54.27461 1627.250       54.80866 345.8714 5.827721 347.2510 5.861682 -1.379608      8.265691 
1 1 1 13  9  3  o 85.87894 4.657004 99.89643       10.73333 92.59282      15.39685 106.8012       14.97055 82.80344 6.905580 88.95444 6.250096 -6.150993      9.314008 
1 1 1 13  9  4  o 355.7146 4.300061 1706.957       41.18287 1710.391      57.86724 1703.434       58.62286 356.0823 6.035302 355.3469 6.126763 0.7354431      8.600121 
1 1 1 13  9  5  o 280.2027 3.793325 1057.610       28.59902 1037.604      39.54751 1079.542       41.40678 277.4321 5.293941 282.9734 5.434286 -5.541290      7.586651 
1 1 1 13  9  6  o 403.6050 4.790231 2195.559       52.01231 2156.842      71.79964 2238.312       75.44901 399.8762 6.668272 407.3339 6.878909 -7.457764      9.580462 
1 1 1 13  9  7  o 275.0491 3.907305 1019.187       28.91412 1008.119      39.98893 1031.313       41.85646 273.4904 5.430182 276.6078 5.619719 -3.117432      7.814609 
1 1 1 13  9  8  o 161.2606 4.359245 349.6695       18.66851 345.2269      24.38437 355.9612       29.01880 160.0428 5.658381 162.4783 6.632857 -2.435593      8.718491 
1 1 1 13  9  9  o 387.4810 4.830653 2022.930       50.32063 1991.804      69.00959 2058.271       73.53394 384.3169 6.668629 390.6450 6.990724 -6.328064      9.661306 
1 1 1 13  9  10 o 212.4250 4.373464 612.6832       24.76476 638.9253      33.19676 579.7528       37.18728 217.6261 5.665018 207.2239 6.664557 10.40227       8.746928 
1 1 1 13  9  11 o 288.7724 4.526093 1128.743       35.01544 1150.864      47.46526 1102.330       51.86541 291.9360 6.038161 285.6087 6.744083 6.327301       9.052185 
1 1 1 13  9  12 o 211.4214 5.499213 604.1285       30.24998 601.8416      38.12142 608.0168       49.70839 211.0216 6.709017 211.8213 8.715187 -0.7997131     10.99843 
1 1 1 13  9  13 o 439.0855 5.927442 2617.342       69.90139 2666.693      96.02768 2561.717       101.9488 443.6172 8.039049 434.5539 8.712748 9.063354       11.85488 
1 1 1 13  9  14 o 273.2557 7.199560 998.6617       50.63779 968.8097      62.54224 1055.474       86.27971 267.6381 8.678448 278.8732 11.48996 -11.23508      14.39912 
1 1 1 13  9  15 o 119.0219 12.71580 232.0608       33.77570 272.3886      41.04567 147.4833       59.44186 140.4705 10.85173 97.57321 23.00014 42.89728       25.43160 
1 1 1 13  9  16 o 60.77752 15.50506 43.14539       31.51769 23.12890      38.29179 85.19198       55.49798 48.46585 19.38199 73.08919 24.20674 -24.62334      31.01013 
1 1 1 13  9  17 o 76.55934 14.56358 83.99173       30.80100 49.57174      37.56547 154.6013       53.80407 56.61556 19.89063 96.50313 21.27803 -39.88757      29.12717 
1 1 1 13  9  18 o 72.26159 13.95928 98.48688       30.43548 126.6729      39.01311 54.65765       48.64918 87.98672 17.08276 56.53646 22.08225 31.45025       27.91856 
1 1 1 13  9  19 o 92.37225 11.41313 145.5862       27.61534 166.4193      40.11292 126.8165       38.07472 100.4362 14.83237 84.30831 17.35047 16.12789       22.82626 
1 1 1 13  11 0  f 368.3889 4.281722 1825.916       42.37790 1913.540      62.51626 1751.421       57.64276 376.5241 6.166189 360.2536 5.942279 16.27048       8.563443 
1 1 1 13  11 1  o 158.2402 3.009376 337.4671       12.82168 343.2323      18.22590 331.8185       18.04070 159.5787 4.241611 156.9018 4.270142 2.676926       6.018752 
1 1 1 13  11 2  o 237.5181 3.419295 760.4585       21.85636 795.8633      31.15962 726.1679       30.66544 242.9641 4.762846 232.0721 4.907302 10.89200       6.838591 
1 1 1 13  11 3  o 345.8903 4.286295 1613.603       39.88697 1609.347      55.24138 1618.238       57.65328 345.4269 5.939160 346.3536 6.181884 -0.9267578     8.572591 
1 1 1 13  11 4  o 136.1554 3.761914 246.9994       13.56664 234.8342      17.48208 265.4173       21.51062 132.0015 4.918480 140.3092 5.693552 -8.307755      7.523828 
1 1 1 13  11 5  o 245.7551 3.869436 810.3377       25.39169 786.0624      33.57775 842.7603       38.80542 241.4937 5.163717 250.0166 5.764215 -8.522888      7.738873 
1 1 1 13  11 6  o 386.1000 4.740663 2010.887       49.26249 2034.328      68.85974 1986.313       70.50473 388.4166 6.583915 383.7835 6.822579 4.633118       9.481325 
1 1 1 13  11 7  o 410.7751 4.991698 2273.570       55.10794 2242.749      75.41991 2308.875       80.71841 407.8100 6.868228 413.7401 7.245387 -5.930084      9.983396 
1 1 1 13  11 8  o 239.9713 4.329569 770.6814       27.24526 752.0470      34.58912 801.1425       44.22351 236.2134 5.438156 243.7293 6.738482 -7.515930      8.659139 
1 1 1 13  11 9  o 234.2850 4.450367 744.0776       27.45571 756.9128      35.47833 724.9147       43.35056 236.8783 5.562301 231.6916 6.948659 5.186722       8.900734 
1 1 1 13  11 10 o 113.0474 6.818287 164.5538       19.45856 149.7993      23.28827 198.6792       35.41713 105.1944 8.221693 120.9004 10.87933 -15.70599      13.63657 
1 1 1 13  11 11 o 117.5814 8.290134 190.1591       23.33832 192.5160      27.44564 184.0045       44.35066 119.2198 8.549517 115.9429 14.20602 3.276894       16.58027 
1 1 1 13  11 12 o 116.3753 10.81965 184.5583       33.90451 184.5583      33.90451 0.000000       0.000000 116.3753 10.81965 ?        ?        ?              ?        
1 1 1 13  11 13 o 56.91632 16.14897 27.23010       33.61691 29.37980      38.43916 20.23855       69.32207 52.53551 19.85461 61.29713 25.47453 -8.761620      32.29795 
1 1 1 13  11 14 o 123.9880 13.13519 259.6097       34.04446 279.8145      39.33375 199.2728       67.97192 140.8076 10.37423 107.1684 24.13520 33.63911       26.27038 
1 1 1 13  11 15 o 128.8680 10.67801 236.8519       32.79442 233.2868      38.33311 246.5846       63.33616 129.1371 11.02401 128.5988 18.29074 0.5382843      21.35603 
1 1 1 13  11 16 o 153.7361 8.943410 311.7426       33.94469 273.9733      39.74959 413.4741       65.23649 139.4070 10.58924 168.0652 14.41549 -28.65813      17.88682 
1 1 1 13  11 17 o 143.9980 9.876377 320.6627       33.79735 336.4663      40.29557 283.1697       62.06607 153.9477 9.720769 134.0483 17.19529 19.89940       19.75275 
1 1 1 13  11 18 o 70.53091 14.39558 91.30347       29.03714 64.44409      36.99070 134.4271       46.87078 57.82582 19.76714 83.23601 20.93302 -25.41019      28.79117 
1 1 1 13  13 0  o 183.9063 4.856349 449.3056       18.27933 445.5086      20.08717 467.5971       44.08826 181.8275 4.102756 185.9850 8.803629 -4.157455      9.712697 
1 1 1 13  13 1  o 275.2568 5.177162 1004.780       32.77345 988.6091      37.45219 1057.645       67.71526 270.7997 5.136244 279.7139 8.990608 -8.914185      10.35432 
1 1 1 13  13 2  o 411.1640 4.868887 2279.942       53.84487 2265.260      74.30315 2296.178       78.13776 409.7887 6.733858 412.5393 7.034161 -2.750610      9.737775 
1 1 1 13  13 3  f 388.5999 4.716488 2030.783       49.12318 1976.532      65.98019 2098.254       73.58102 382.8234 6.400763 394.3763 6.929016 -11.55295      9.432976 
1 1 1 13  13 4  o 310.5446 4.237734 1304.109       35.32170 1369.681      48.87493 1232.418       51.10449 318.7616 5.694253 302.3275 6.277662 16.43405       8.475469 
1 1 1 13  13 5  o 357.9318 4.641827 1731.083       44.61097 1786.650      61.44542 1669.143       64.87292 364.0422 6.268368 351.8215 6.847904 12.22070       9.283653 
1 1 1 13  13 6  o 300.9783 4.499890 1224.308       35.63224 1235.290      45.86314 1207.586       56.59573 302.7329 5.626271 299.2236 7.024323 3.509369       8.999781 
1 1 1 13  13 7  o 128.3805 7.110936 239.3309       19.30231 250.8060      21.74519 196.6941       41.91586 136.3727 5.921782 120.3883 12.93036 15.98433       14.22187 
1 1 1 13  13 8  o 144.1585 6.679862 313.2654       21.11085 342.9235      24.42981 225.8166       41.94938 159.4261 5.690853 128.8909 12.08703 30.53516       13.35972 
1 1 1 13  13 9  o 132.8712 8.101939 243.2111       22.15227 244.8821      24.48457 235.6721       52.00605 134.6113 6.755033 131.1310 14.72872 3.480316       16.20388 
1 1 1 13  13 10 o 76.11527 13.98269 61.32491       23.39445 48.04137      25.58228 129.1729       57.81639 58.17226 15.88482 94.05828 23.01598 -35.88602      27.96538 
1 1 1 13  13 11 o 66.23972 14.36403 65.86469       27.42943 77.01723      31.27049 28.64954       57.12251 73.27118 16.27309 59.20826 23.67462 14.06292       28.72805 
1 1 1 13  13 12 o 178.4411 10.33260 456.9810       39.49748 469.8390      44.48235 409.0648       85.87025 185.9659 8.883232 170.9162 18.65847 15.04968       20.66520 
1 1 1 13  13 13 o 74.33849 17.06907 91.58319       34.16627 84.38271      38.32853 119.4393       75.38793 71.26049 19.43712 77.41647 28.06441 -6.155983      34.13814 
1 1 1 13  13 14 o 103.7918 13.48119 124.6937       31.94183 91.47768      35.65958 259.5375       71.84855 77.35423 17.52602 130.2294 20.48922 -52.87520      26.96237 
1 1 1 13  13 15 o 190.6786 8.686052 516.7269       37.14287 515.3257      42.26900 521.4753       77.81442 193.1344 8.127909 188.2227 15.35341 4.911789       17.37210 
1 1 1 13  13 16 o 79.78033 15.02498 120.7623       32.08379 131.5623      35.79172 76.58990       72.38458 93.91447 14.15359 65.64619 26.50805 28.26829       30.04997 
1 1 1 13  13 17 o 70.97837 15.30954 98.69072       31.46392 98.39969      39.13889 99.22243       52.90198 73.46182 19.47182 68.49492 23.63000 4.966904       30.61909 
1 1 1 13  15 0  o 369.6366 6.862652 1846.999       68.19321 1843.649      99.26514 1849.992       93.84267 369.2768 9.983007 369.9964 9.419317 -0.7196350     13.72530 
1 1 1 13  15 1  o 513.7805 8.443525 3575.040       116.8071 3569.660      165.8232 3580.338       164.5643 513.3829 11.99556 514.1780 11.88608 -0.7950439     16.88705 
1 1 1 13  15 2  o 493.7850 6.604942 3326.039       75.66832 3358.839      87.39330 3227.811       151.2377 499.0977 6.502932 488.4723 11.49839 10.62540       13.20988 
1 1 1 13  15 3  o 382.9131 5.569980 1905.776       45.16779 1863.016      49.96277 2097.022       105.6628 371.8320 4.990181 393.9941 9.959758 -22.16211      11.13996 
1 1 1 13  15 4  o 203.6243 5.113457 546.0414       17.52505 542.4010      18.54481 576.4382       53.58708 200.6742 3.432001 206.5744 9.633855 -5.900208      10.22691 
1 1 1 13  15 5  o 367.6224 5.883576 1816.210       52.79493 1804.888      62.52112 1844.345       98.56044 365.8469 6.346642 369.3979 9.908885 -3.551025      11.76715 
1 1 1 13  15 6  o 420.0485 6.359841 2379.452       65.91540 2367.448      78.69780 2407.668       120.6533 418.6999 6.980336 421.3970 10.63321 -2.697113      12.71968 
1 1 1 13  15 7  o 361.9413 5.986259 1782.159       53.39781 1795.255      63.89877 1751.842       97.22070 364.5648 6.509300 359.3178 10.04839 5.247009       11.97252 
1 1 1 13  15 8  o 265.9434 5.799835 947.5090       35.94505 937.5540      41.39989 977.9954       72.44881 263.5086 5.834733 268.3781 10.02538 -4.869415      11.59967 
1 1 1 13  15 9  f 250.0946 6.647391 863.3644       37.63139 875.5530      43.04403 823.8362       77.51545 254.5103 6.280933 245.6789 11.71756 8.831360       13.29478 
1 1 1 13  15 10 o 133.1011 11.07107 262.6242       28.41508 271.6028      31.17551 218.5531       69.06931 141.5365 8.180161 124.6658 20.57570 16.87071       22.14214 
1 1 1 13  15 11 o 140.3636 12.95273 257.3927       38.79589 249.2288      42.96972 293.3976       90.23934 135.4773 11.77911 145.2499 23.07260 -9.772614      25.90545 
1 1 1 13  15 12 o 121.1224 12.28244 179.1817       34.67268 147.8476      38.99995 297.3421       75.73408 101.7722 14.23153 140.4726 20.02240 -38.70046      24.56487 
1 1 1 13  15 13 o 122.2856 14.01239 250.9961       35.13829 270.0923      40.08427 187.6227       73.02212 139.0982 10.70210 105.4730 25.90084 33.62516       28.02478 
1 1 1 13  15 14 o 90.60773 15.22815 149.2444       32.75488 161.3530      36.60323 100.5732       73.38537 105.9972 12.82454 75.21825 27.62458 30.77894       30.45630 
1 1 1 13  15 15 o 66.76064 16.37965 74.44791       31.37638 72.34157      34.66933 83.98257       73.76206 66.08962 18.66235 67.43164 26.92376 -1.342018      32.75930 
1 1 1 13  15 16 f 83.74658 13.92266 161.2396       33.32099 187.1659      37.20823 56.24521       74.87756 111.2479 12.42121 56.24525 24.92139 55.00266       27.84533 
1 1 1 13  17 0  o 218.0006 6.644521 643.2474       38.84919 623.1972      57.02693 660.6105       53.06848 214.7902 9.860119 221.2110 8.909361 -6.420807      13.28904 
1 1 1 13  17 1  o 226.0853 6.488023 689.7506       39.47307 703.2325      57.02853 677.3511       54.69148 228.1969 9.281093 223.9737 9.068578 4.223145       12.97605 
1 1 1 13  17 2  o 848.9987 13.17278 9821.378       301.0155 9647.970      418.4962 10007.26       433.2895 841.3264 18.47326 856.6710 18.78368 -15.34460      26.34555 
1 1 1 13  17 3  o 351.8707 5.447376 1668.101       41.12186 1665.467      45.90417 1678.806       92.52985 351.4985 4.850039 352.2429 9.755651 -0.7443542     10.89475 
1 1 1 13  17 4  o 351.8862 5.493294 1726.687       42.44352 1767.851      48.08245 1581.419       90.32608 362.0865 4.931634 341.6859 9.817540 20.40057       10.98659 
1 1 1 13  17 5  o 199.4795 5.652389 552.5116       18.20786 556.1608      19.22811 520.8361       56.64997 203.1492 3.515103 195.8098 10.74440 7.339417       11.30478 
1 1 1 13  17 6  o 55.28519 11.84743 40.11535       10.87483 40.98328      11.11907 21.00801       52.17072 55.04111 7.502363 55.52925 22.47579 -0.4881401     23.69486 
1 1 1 13  17 7  o 134.1615 8.803445 244.6256       23.32243 244.1258      25.45401 247.2407       58.22015 134.3604 7.035608 133.9626 16.14010 0.3977203      17.60689 
1 1 1 13  17 8  o 144.5728 9.409269 259.9144       28.07944 246.3743      30.66263 330.2686       69.89479 134.7764 8.449130 154.3691 16.81516 -19.59270      18.81854 
1 1 1 13  17 9  o 181.7937 8.586639 415.4827       29.46274 394.0502      31.55996 560.8550       82.19428 169.3741 6.919998 194.2133 15.71735 -24.83911      17.17328 
1 1 1 13  17 10 o 243.7819 9.148042 759.7037       47.70242 728.6328      52.75435 899.0189       111.7070 231.9473 8.446671 255.6165 16.22962 -23.66917      18.29608 
1 1 1 13  17 11 o 184.1864 9.190929 487.0934       26.95808 490.4236      28.46090 458.0330       84.07267 190.1757 5.557893 178.1970 17.52149 11.97870       18.38186 
1 1 1 13  17 12 o 131.1516 12.91292 273.5062       24.92609 278.1453      26.32217 233.2201       77.56788 142.7334 6.848771 119.5697 24.90117 23.16367       25.82584 
1 1 1 13  17 13 o 164.6577 8.743409 363.8429       26.18178 354.9692      28.01035 425.2271       73.67057 160.9303 6.463938 168.3850 16.24827 -7.454697      17.48682 
1 1 1 13  17 14 o 259.6628 7.182353 959.3774       35.97634 958.8170      39.16433 962.4048       91.03561 264.5718 5.497481 254.7537 13.27111 9.818100       14.36471 
1 1 1 13  17 15 o 86.65862 13.84753 152.9905       25.65304 160.4386      27.89577 112.1774       65.30014 104.8888 9.877019 68.42845 25.87394 36.46033       27.69506 
1 1 1 13  19 0  o 236.6082 6.831104 758.6251       43.38578 751.3569      63.75998 764.8923       59.20629 235.4951 10.05502 237.7213 9.249459 -2.226257      13.66221 
1 1 1 13  19 1  o 194.0036 7.707194 511.6667       40.16882 489.0165      57.94602 532.6199       55.73314 189.8014 11.33811 198.2058 10.44273 -8.404388      15.41439 
1 1 1 13  19 2  o 67.30435 15.06267 61.65203       31.02860 77.13638      44.28805 46.72405       43.48511 73.55512 21.19988 61.05358 21.40329 12.50154       30.12533 
1 1 1 13  19 3  o 227.4435 5.652960 719.8068       27.92691 734.1515      31.48536 666.8895       60.47327 233.2717 5.012603 221.6153 10.13399 11.65633       11.30592 
1 1 1 13  19 4  o 189.9414 6.110864 492.2503       17.28949 492.9744      18.07023 484.4096       59.46188 191.2565 3.508844 188.6262 11.70720 2.630325       12.22173 
1 1 1 13  19 5  o 101.9784 12.79960 185.4103       20.79757 197.3150      22.21198 100.7645       59.22852 120.7810 6.829753 83.17572 24.67131 37.60532       25.59920 
1 1 1 13  19 6  o 71.71177 12.70455 96.66528       17.98682 104.3818      18.67027 -2.980797      67.09203 87.77075 7.899824 55.65279 24.14986 32.11796       25.40911 
1 1 1 13  19 7  o 231.3289 9.006734 839.6694       41.45664 880.7612      46.16837 668.6144       94.19647 253.0652 6.775303 209.5926 16.69073 43.47255       18.01347 
1 1 1 13  19 8  o 142.2245 16.25741 337.8922       41.42175 362.6820      45.44636 216.2325       100.6781 163.5768 10.31797 120.8723 30.83429 42.70448       32.51483 
1 1 1 13  19 9  o 155.3116 9.100741 288.2058       23.39160 276.3670      24.54884 404.9683       77.09562 142.6165 6.392604 168.0067 17.04197 -25.39023      18.20148 
1 1 1 13  19 10 f 40.81233 12.87033 7.085329       18.63408 10.62221      19.43943 -32.96729      65.41668 34.88630 13.85546 46.73837 21.69351 -11.85207      25.74067 
1 1 1 13  19 11 o 66.36184 13.82356 67.51399       19.33839 69.08678      20.17757 49.77690       67.76026 70.18587 10.67667 62.53780 25.50240 7.648071       27.64713 
1 1 1 13  19 12 o 75.01633 14.20212 78.55112       19.76865 75.23420      20.72609 111.9843       65.80193 72.82453 10.56955 77.20812 26.36448 -4.383591      28.40424 
1 1 1 13  19 13 o 60.41930 13.18469 66.87857       21.07601 71.42105      22.27066 27.91339       65.22652 68.56699 12.52392 52.27161 23.20550 16.29537       26.36937 
1 1 1 13  19 14 o 91.13475 13.66443 182.2085       23.94382 191.1187      25.60638 120.1999       67.55090 115.3300 8.245602 66.93947 26.05527 48.39056       27.32886 
1 1 1 13  21 0  o 79.19080 14.80589 91.45519       34.20630 131.3312      46.94782 46.33283       49.94081 95.79269 18.87249 62.58891 22.81855 33.20377       29.61177 
1 1 1 13  21 1  f 59.96153 16.45285 34.24946       37.86136 33.16913      51.11708 35.56244       56.35314 58.70732 22.71684 61.21574 23.80609 -2.508415      32.90570 
1 1 1 13  21 2  o 290.1530 7.928357 1147.781       61.86466 1142.345      85.28252 1153.819       89.87795 289.5168 10.93964 290.7893 11.47867 -1.272461      15.85671 
1 1 1 13  21 3  o 195.0903 8.558412 557.1260       26.61173 566.9398      28.15490 474.8922       81.50081 204.9290 5.102314 185.2516 16.33867 19.67743       17.11682 
1 1 1 13  21 4  o 148.0946 10.18520 348.0320       17.87637 353.8701      18.45319 259.0044       72.06088 161.8806 4.233439 134.3086 19.92565 27.57201       20.37041 
1 1 1 13  21 5  o 161.4350 11.24149 346.1966       24.21522 344.5413      25.03567 370.2174       95.37012 159.7782 5.819134 163.0918 21.71686 -3.313553      22.48298 
1 1 1 13  21 6  o 279.8377 8.084496 1081.794       48.15985 1088.163      53.77302 1055.979       108.2651 283.3845 7.047013 276.2910 14.55252 7.093475       16.16899 
1 1 1 13  21 7  o 217.4234 8.113803 694.0541       38.72908 728.2186      44.27139 582.6559       79.94193 231.3394 7.107065 203.5074 14.58852 27.83199       16.22761 
1 1 1 13  21 8  o 44.96960 13.52174 15.56104       19.56105 17.48430      20.55294 -2.934325      63.73623 38.84655 14.55230 51.09264 22.79430 -12.24609      27.04348 
1 1 1 13  21 9  o 89.03420 13.33490 121.8583       17.87094 122.0237      18.63014 119.9518       63.24625 94.33160 7.334584 83.73680 25.64141 10.59480       26.66980 
1 1 1 13  21 10 o 87.93292 14.39776 135.5121       20.26426 137.6553      21.07988 109.4131       73.56069 99.71201 7.851223 76.15385 27.70452 23.55816       28.79552 
1 1 1 13  21 11 o 92.02811 13.36280 115.2093       19.95597 108.9184      20.93246 177.9559       66.10866 87.89568 8.844420 96.16054 25.21971 -8.264854      26.72560 
1 1 1 13  21 12 o 80.77645 13.19757 147.0041       29.46332 170.7879      33.04134 54.68541       65.09708 106.8390 11.48536 54.71393 23.76530 52.12505       26.39514 
1 1 1 13  21 13 o 56.86176 11.18962 70.98900       21.44931 83.80482      22.77282 -29.75239      63.84803 74.02808 11.42449 39.69545 19.24347 34.33263       22.37923 
1 1 1 13  23 0  o 208.3466 4.093626 586.3124       22.89328 655.9717      33.37232 524.3925       31.46387 220.0325 5.632693 196.6608 5.941704 23.37180       8.187251 
1 1 1 13  23 1  o 143.0333 14.35254 315.9044       21.55780 317.6971      22.10170 280.8179       97.77573 153.1929 5.358013 132.8737 28.20060 20.31915       28.70509 
1 1 1 13  23 2  o 299.5015 8.824444 1104.296       44.92879 1073.736      47.40410 1374.199       140.8796 282.0782 6.241126 316.9248 16.50853 -34.84659      17.64889 
1 1 1 13  23 3  o 267.5261 8.871559 967.1364       41.37274 957.0974      44.03613 1042.677       120.7967 265.4380 6.161163 269.6143 16.63906 -4.176300      17.74312 
1 1 1 13  23 4  o 179.6369 10.20716 470.0826       25.24601 473.0941      26.26322 433.4494       91.59939 186.9093 5.218357 172.3645 19.73610 14.54472       20.41433 
1 1 1 13  23 5  o 83.53134 14.63040 90.74348       21.78268 86.05027      22.88517 135.9626       71.03629 78.46555 10.83158 88.59712 27.18220 -10.13157      29.26081 
1 1 1 13  23 6  o 158.1778 8.671017 353.2395       24.38419 353.8080      26.12527 349.3957       67.93193 161.2437 6.017204 155.1120 16.26467 6.131653       17.34203 
1 1 1 13  23 7  o 159.0168 9.268684 415.8261       25.24862 436.6714      27.31959 293.7625       66.10945 178.9211 5.670604 139.1125 17.64875 39.80852       18.53737 
1 1 1 13  23 8  o 97.69500 13.37671 179.3232       24.54035 192.3257      26.79775 111.7557       61.08790 117.5125 8.468975 77.87752 25.37759 39.63496       26.75342 
1 1 1 13  23 9  o 113.1120 13.36356 195.7250       27.57482 189.4711      29.80464 232.8912       72.65797 115.3795 9.593385 110.8445 24.94606 4.535004       26.72712 
1 1 1 13  23 10 o 34.82322 11.72882 -11.81626      23.78513 -3.863478     25.62168 -61.40007      63.97613 31.52637 14.22653 38.12006 18.65118 -6.593685      23.45764 
1 1 1 13  23 11 o 42.20862 12.46917 26.34794       21.46532 32.70282      22.73772 -25.71200      65.07964 43.98900 15.47374 40.42823 19.55721 3.560764       24.93834 
1 1 1 13  25 0  o 130.2268 5.978962 232.3897       19.88347 232.8727      24.53696 231.4659       33.93377 130.7705 6.968312 129.6830 9.717746 1.087448       11.95792 
1 1 1 13  25 1  o 37.10480 9.629774 15.85935       12.97321 23.00788      17.86475 7.883439       18.87030 40.95223 13.73840 33.25737 13.49765 7.694859       19.25955 
1 1 1 13  25 2  o 68.42474 6.210473 65.26080       11.20599 60.55869      17.33181 68.63840       14.68933 66.09943 9.737843 70.75006 7.710662 -4.650627      12.42095 
1 1 1 13  25 3  o 98.80628 4.423370 130.0558       11.61818 152.7366      18.30162 114.7458       15.03655 105.8265 6.422616 91.78609 6.083981 14.04037       8.846740 
1 1 1 13  25 4  o 134.1002 13.34529 348.3380       23.71565 366.5312      25.07370 193.9045       73.05241 163.8902 5.681747 104.3102 26.07882 59.58000       26.69058 
1 1 1 13  25 5  o 99.41197 12.12459 109.8693       20.19670 98.42679      21.18959 223.4540       66.76103 83.77449 9.393499 115.0495 22.35588 -31.27496      24.24919 
1 1 1 13  25 6  o 52.99730 14.62160 23.35182       21.86843 13.18050      23.46978 90.34988       60.23535 37.14993 15.06155 68.84467 25.06621 -31.69474      29.24321 
1 1 1 13  25 7  o 85.08046 14.17397 104.6107       22.19529 96.88270      23.52053 167.4498       67.06979 81.51872 10.71535 88.64220 26.24476 -7.123482      28.34795 
1 1 1 13  25 8  o 38.74205 11.90342 16.13177       20.24472 24.63830      21.03839 -90.27391      74.40783 39.97560 14.77263 37.50851 18.66909 2.467094       23.80684 
1 1 1 13  27 0  o 62.18488 10.46654 54.97461       16.70176 43.95424      20.52790 76.55556       28.72643 53.81599 14.02420 70.55376 15.54077 -16.73776      20.93308 
1 1 1 13  27 1  o 114.3695 6.765880 191.6205       18.04501 200.6752      21.17907 167.6360       34.46946 120.8324 6.509388 107.9066 11.86324 12.92577       13.53176 
1 1 1 13  27 2  o 89.43881 6.203221 109.1550       14.67048 96.06998      18.70847 130.0493       23.64090 82.83994 8.387163 96.03768 9.141952 -13.19775      12.40644 
1 1 1 13  27 3  o 211.8877 5.602238 616.9895       31.96323 616.9895      31.96323 0.000000       0.000000 211.8877 5.602238 ?        ?        ?              ?        
1 1 1 13  27 4  o 63.86107 8.126008 62.06697       13.42182 57.05742      20.40792 65.88544       17.81735 60.31613 12.95231 67.40601 9.816602 -7.089882      16.25202 
1 1 1 13  27 5  o 62.37914 13.98960 74.02630       21.23078 73.62936      22.13160 78.60677       75.18033 68.18472 12.51552 56.57355 25.02394 11.61116       27.97920 
1 1 1 13  29 0  o 45.33414 11.36469 35.56753       17.78406 41.70427      21.58652 22.60280       31.37585 49.49523 14.94292 41.17305 17.12700 8.322178       22.72938 
1 1 1 13  29 1  o 68.57809 10.62012 83.42175       18.05367 89.94709      21.57411 68.17637       32.97618 77.57968 10.32765 59.57650 18.56038 18.00318       21.24025 
1 1 1 14  0  0  f 172.2373 4.647353 399.2679       21.42560 435.0055      31.65847 369.0663       29.10329 179.3419 6.575845 165.1328 6.568851 -0.000000      0.000000 
1 1 1 14  0  1  o 299.5609 5.288770 1211.133       42.59387 1233.446      60.86272 1189.714       59.62986 302.2683 7.488208 296.8534 7.470683 -0.000000      0.000000 
1 1 1 14  0  2  o 190.2497 4.849091 487.6474       24.68911 465.0564      33.34558 515.0579       36.73073 185.3964 6.699495 195.1030 7.012240 -0.000000      0.000000 
1 1 1 14  0  3  o 564.4643 8.795203 4311.428       133.4775 4244.551      185.5857 4383.094       192.1151 559.9544 12.32207 568.9742 12.55345 -0.000000      0.000000 
1 1 1 14  0  4  o 161.0200 5.315156 353.3137       22.83718 380.9771      31.88963 324.1914       32.71967 167.6296 7.093945 154.4104 7.917038 -0.000000      0.000000 
1 1 1 14  0  5  o 97.98034 7.661417 135.4466       19.34926 145.3262      26.40189 123.9831       28.43956 102.3563 9.784767 93.60435 11.79184 -0.000000      0.000000 
1 1 1 14  0  6  f 254.7622 5.330855 877.2740       36.49232 896.5189      51.90019 858.4567       51.32055 257.5379 7.498565 251.9865 7.579156 -0.000000      0.000000 
1 1 1 14  0  7  o 30.75193 12.97394 13.27719       19.09879 8.784874      27.40590 17.51884       26.63033 29.09262 17.92575 32.41124 18.76061 -0.000000      0.000000 
1 1 1 14  0  8  o 373.6985 6.509586 1886.338       65.40305 1904.733      93.46185 1868.685       91.55537 375.4796 9.256808 371.9174 9.154799 -0.000000      0.000000 
1 1 1 14  0  9  o 105.3124 8.396799 154.3410       22.95441 172.0730      33.93092 139.3777       31.16947 111.1419 11.62939 99.48285 12.11537 -0.000000      0.000000 
1 1 1 14  0  10 o 172.2580 6.136783 401.6777       28.24101 424.9840      41.61022 381.7730       38.45389 176.8903 8.785432 167.6257 8.570682 -0.000000      0.000000 
1 1 1 14  0  11 o 84.34558 12.38200 110.2216       24.23457 88.94405      35.08871 129.6291       33.51139 73.77922 20.42101 94.91195 14.00849 -0.000000      0.000000 
1 1 1 14  0  12 o 43.40893 16.01195 37.47662       24.44289 41.86123      35.88981 33.68352       33.38128 45.52973 23.23146 41.28813 22.04154 -0.000000      0.000000 
1 1 1 14  0  13 o 27.62406 13.37004 -26.81753      31.21782 -31.54419     47.91825 -23.33210      41.14835 28.32221 19.44213 26.92590 18.35854 -0.000000      0.000000 
1 1 1 14  0  14 o 55.50179 19.35773 59.75053       35.80083 91.53290      55.50837 37.11318       46.84660 66.88873 29.42557 44.11484 25.15994 -0.000000      0.000000 
1 1 1 14  0  15 o 50.03683 20.07398 36.53232       48.22856 -30.20720     77.72497 78.31654       61.50000 38.53156 25.96943 61.54211 30.61777 -0.000000      0.000000 
1 1 1 14  0  16 o 217.4794 9.330125 651.3698       51.30926 691.2125      88.90295 631.4703       62.82920 221.2240 15.08557 213.7347 10.98319 -0.000000      0.000000 
1 1 1 14  0  17 o 319.6104 8.113767 1419.429       68.81258 1383.687      104.7641 1446.550       91.25905 315.3108 12.38267 323.9101 10.48820 -0.000000      0.000000 
1 1 1 14  0  18 o 46.05244 18.58431 31.77065       39.70486 92.48879      61.66828 -11.22088      51.89124 60.82203 30.58223 31.28285 21.12424 -0.000000      0.000000 
1 1 1 14  0  19 o 42.72370 17.81203 47.02731       37.26564 17.88378      63.38501 62.42232       46.06865 37.06336 24.48792 48.38404 25.87307 -0.000000      0.000000 
1 1 1 14  2  0  o 505.7052 5.558725 3448.793       75.68775 3474.669      107.8129 3423.648       106.2808 507.5723 7.888412 503.8381 7.833943 3.734222       11.11745 
1 1 1 14  2  1  o 265.7405 3.498494 951.3545       25.03099 934.2734      35.13332 968.9625       35.67115 263.3182 4.955128 268.1628 4.940094 -4.844574      6.996987 
1 1 1 14  2  2  o 500.7503 5.550643 3385.741       74.83554 3411.651      106.7034 3360.659       104.9844 502.6289 7.884017 498.8716 7.815423 3.757324       11.10129 
1 1 1 14  2  3  o 248.1681 3.524363 830.0696       23.54744 814.8947      32.96052 845.8883       33.65248 245.8526 4.978928 250.4836 4.989470 -4.630997      7.048726 
1 1 1 14  2  4  o 344.3631 4.189331 1600.129       38.84576 1604.376      54.94099 1595.884       54.93140 344.8210 5.917244 343.9053 5.931963 0.9156494      8.378661 
1 1 1 14  2  5  o 296.2801 3.868879 1183.982       30.86063 1172.853      43.19461 1195.586       44.10672 294.8615 5.440366 297.6987 5.502301 -2.837250      7.737758 
1 1 1 14  2  6  o 426.8978 4.946522 2458.183       56.83513 2507.115      81.85967 2412.642       78.97210 430.9882 7.053770 422.8074 6.936616 8.180786       9.893044 
1 1 1 14  2  7  o 85.66672 6.237480 99.45988       14.33265 108.3137      20.12462 90.34654       20.41741 89.56326 8.344771 81.77017 9.273046 7.793083       12.47496 
1 1 1 14  2  8  o 388.1839 4.714200 2032.099       49.27468 2026.312      69.48241 2037.953       69.88921 387.6289 6.656950 388.7389 6.676806 -1.109924      9.428400 
1 1 1 14  2  9  o 346.1247 4.435955 1613.370       41.30849 1574.383      57.02635 1656.412       59.91900 341.7356 6.197292 350.5138 6.348572 -8.778137      8.871910 
1 1 1 14  2  10 o 359.8954 4.562236 1746.653       44.21099 1740.188      62.30674 1753.209       62.74312 359.2256 6.441460 360.5652 6.462476 -1.339508      9.124473 
1 1 1 14  2  11 o 278.3761 4.202272 1042.228       31.44526 981.3253      43.00051 1112.232       46.10194 269.6667 5.921926 287.0856 5.963819 -17.41891      8.404544 
1 1 1 14  2  12 o 83.80702 8.605805 95.81435       19.37327 96.69691      26.56421 94.81160       28.31544 84.25836 11.70848 83.35567 12.61551 0.9026871      17.21161 
1 1 1 14  2  13 o 67.86742 12.26426 66.19764       22.45061 64.44844      30.62971 68.22839       33.00285 66.93285 16.97103 68.80200 17.70966 -1.869156      24.52851 
1 1 1 14  2  14 o 64.17484 13.28924 63.21877       25.12050 78.77212      34.39796 45.44417       36.77229 71.87134 17.85420 56.47834 19.68864 15.39300       26.57847 
1 1 1 14  2  15 o 88.13873 13.82638 115.2979       32.76189 141.7259      44.73170 84.71703       48.11804 100.5938 16.51432 75.68364 22.17999 24.91018       27.65276 
1 1 1 14  2  16 o 54.02456 13.81583 30.57742       28.26917 -2.121842     38.00173 71.09225       42.30011 40.76769 17.92208 67.28143 21.03110 -26.51374      27.63165 
1 1 1 14  2  17 o 84.48141 12.94045 111.9844       28.50736 113.1206      38.72996 110.6410       42.11319 85.50809 17.41282 83.45474 19.14718 2.053345       25.88090 
1 1 1 14  2  18 o 66.19313 14.42424 75.73361       28.55994 85.66721      39.43354 64.77438       41.41930 70.85390 19.86684 61.53236 20.91755 9.321537       28.84848 
1 1 1 14  2  19 o 82.85941 12.16235 119.7430       26.74434 144.8838      37.89545 94.79554       37.74939 94.54852 14.88500 71.17029 19.23871 23.37823       24.32471 
1 1 1 14  4  0  o 246.5977 3.361458 818.3416       22.30389 843.3244      32.30908 795.5967       30.82795 250.1875 4.795960 243.0078 4.711303 7.179733       6.722917 
1 1 1 14  4  1  o 416.9685 4.741318 2341.479       53.16965 2420.100      77.53030 2271.672       73.05553 423.5545 6.797963 410.3824 6.611210 13.17206       9.482636 
1 1 1 14  4  2  o 364.8439 4.294443 1795.123       42.18296 1776.598      59.06311 1814.411       60.26651 362.9263 6.043862 366.7615 6.102516 -3.835266      8.588886 
1 1 1 14  4  3  o 100.3029 4.623312 135.6302       12.47572 143.7538      18.00128 128.1221       17.30591 103.1913 6.478537 97.41451 6.597622 5.776794       9.246624 
1 1 1 14  4  4  o 320.6431 4.023603 1385.333       34.70811 1351.099      47.87637 1423.255       50.38934 316.4807 5.618114 324.8055 5.761450 -8.324829      8.047206 
1 1 1 14  4  5  o 249.9017 3.673811 841.7646       24.71285 832.3508      34.42935 851.7695       35.49343 248.4644 5.146136 251.3391 5.244506 -2.874664      7.347623 
1 1 1 14  4  6  o 244.7359 3.734393 807.3817       24.60849 811.2055      34.98166 803.6354       34.62442 245.3087 5.295953 244.1631 5.266464 1.145569       7.468786 
1 1 1 14  4  7  o 399.4003 4.743804 2150.983       51.00608 2114.047      71.22037 2189.875       73.08266 395.8848 6.681162 402.9158 6.736228 -7.031006      9.487607 
1 1 1 14  4  8  o 48.04517 9.422545 29.80367       14.03249 9.018250      19.48230 52.21203       20.22861 35.11329 13.89437 60.97706 12.73121 -25.86378      18.84509 
1 1 1 14  4  9  o 102.3628 6.140077 142.3468       16.56963 107.0594      22.97455 180.5985       23.92003 89.02796 9.583790 115.6977 7.678095 -26.66977      12.28015 
1 1 1 14  4  10 o 445.1315 5.275654 2675.442       63.23053 2667.917      88.92937 2683.136       89.92183 444.5039 7.429956 445.7591 7.491720 -1.255157      10.55131 
1 1 1 14  4  11 o 106.8762 6.601722 154.8041       18.99442 158.1519      26.81903 151.4346       26.90551 108.0444 9.218445 105.7080 9.452578 2.336403       13.20344 
1 1 1 14  4  12 o 199.6970 4.607920 538.6217       24.71305 592.6280      35.44915 487.5563       34.47047 209.4572 6.285315 189.9368 6.739920 19.52045       9.215840 
1 1 1 14  4  13 o 333.3060 5.072061 1504.636       45.49613 1549.026      64.01447 1459.328       64.67308 338.3124 7.027110 328.2995 7.315937 10.01297       10.14412 
1 1 1 14  4  14 o 183.4231 6.638428 462.5655       32.61294 445.1512      43.60135 484.6818       49.13650 179.7046 9.010674 187.1416 9.751033 -7.436935      13.27686 
1 1 1 14  4  15 o 93.20367 12.54609 142.8836       29.60559 164.4531      38.36314 111.1224       46.55238 105.7663 13.47050 80.64106 21.16986 25.12522       25.09217 
1 1 1 14  4  16 o 119.7501 9.621778 208.5779       30.29836 240.6474      41.20098 170.8123       44.71055 130.8574 11.69300 108.6429 15.28359 22.21449       19.24356 
1 1 1 14  4  17 o 100.5221 11.15563 151.7324       29.32812 131.9337      40.82093 172.8554       42.16411 92.44833 17.02570 108.5959 14.41937 -16.14753      22.31127 
1 1 1 14  4  18 o 121.2842 9.304038 219.5867       30.10880 225.1194      40.41555 212.6865       45.13479 123.8871 12.11543 118.6812 14.12363 5.205948       18.60808 
1 1 1 14  4  19 f 57.21880 14.33270 66.16386       27.63690 67.08469      37.76339 65.10187       40.55469 57.92974 19.96588 56.50785 20.56864 1.421883       28.66540 
1 1 1 14  6  0  o 106.2638 3.873811 151.1929       11.04113 134.7471      14.97644 170.7739       16.34179 99.97442 5.563349 112.5532 5.392106 -12.57875      7.747622 
1 1 1 14  6  1  o 265.5070 3.546655 949.6259       25.34554 973.0428      36.48661 927.7889       35.23421 268.6661 5.043561 262.3479 4.987739 6.318207       7.093310 
1 1 1 14  6  2  o 143.4457 3.563711 276.5461       13.71732 287.9960      20.41894 267.1285       18.51846 146.1360 5.189105 140.7554 4.886034 5.380692       7.127421 
1 1 1 14  6  3  o 378.4171 4.469831 1932.297       45.53669 1916.481      63.67404 1948.855       65.14848 376.8390 6.275137 379.9951 6.367118 -3.156128      8.939661 
1 1 1 14  6  4  o 120.8055 4.171879 197.3685       13.52465 216.0299      19.12422 178.6972       19.12926 126.5439 5.612535 115.0671 6.173958 11.47681       8.343759 
1 1 1 14  6  5  o 295.0157 3.911464 1173.231       31.06139 1160.862      43.27724 1186.372       44.60786 293.4169 5.477608 296.6145 5.585159 -3.197601      7.822927 
1 1 1 14  6  6  o 228.5539 3.719031 703.8856       22.88148 695.3190      31.91897 712.9417       32.81838 227.1259 5.219140 229.9820 5.299562 -2.856110      7.438063 
1 1 1 14  6  7  o 221.2549 3.790927 659.8456       22.58423 665.3358      31.90282 654.3306       31.97515 222.1788 5.332649 220.3311 5.389561 1.847763       7.581854 
1 1 1 14  6  8  o 227.9732 3.966005 699.4368       24.32755 668.3068      33.68262 733.3857       35.17455 222.6777 5.617534 233.2687 5.600009 -10.59100      7.932011 
1 1 1 14  6  9  o 290.8504 4.148087 1139.892       32.46041 1129.522      44.92564 1151.219       46.95337 289.4732 5.763714 292.2275 5.967085 -2.754303      8.296174 
1 1 1 14  6  10 o 257.5432 4.175840 895.4317       28.94193 914.4595      40.54007 875.6539       41.33155 260.3465 5.782949 254.7398 6.025617 5.606659       8.351681 
1 1 1 14  6  11 o 171.3081 4.902132 394.8699       22.53119 376.9617      30.35598 416.8383       33.62149 167.0199 6.749826 175.5963 7.110796 -8.576401      9.804263 
1 1 1 14  6  12 o 142.5570 6.193816 277.8342       23.46017 293.0542      31.28684 258.2846       35.45880 147.1436 7.896541 137.9704 9.544531 9.173203       12.38763 
1 1 1 14  6  13 f 330.5177 5.068869 1475.901       44.97434 1448.631      61.01685 1508.341       66.54932 327.2368 6.924751 333.7986 7.404158 -6.561768      10.13774 
1 1 1 14  6  14 o 250.6010 6.729609 826.5289       44.27149 752.0182      55.70531 954.2836       72.94164 235.7966 8.773558 265.4054 10.20663 -29.60884      13.45922 
1 1 1 14  6  15 o 183.9449 7.037571 467.3997       34.28025 478.9962      44.94852 451.2768       52.99940 187.0552 8.924057 180.8347 10.88443 6.220428       14.07514 
1 1 1 14  6  16 o 96.40054 12.12168 147.5092       28.79519 177.1809      37.04251 102.1992       45.77482 112.2399 12.25659 80.56116 20.91690 31.67877       24.24337 
1 1 1 14  6  17 o 47.18552 13.64152 19.31515       27.55547 4.591647      35.99138 40.16968       42.83445 40.65203 17.66425 53.71901 20.79275 -13.06697      27.28304 
1 1 1 14  6  18 o 36.78239 12.06294 -14.83698      28.60989 -5.398308     37.71457 -27.63093      43.90926 37.52569 17.06364 36.03908 17.05551 1.486610       24.12588 
1 1 1 14  6  19 o 59.43306 13.81350 71.44586       27.77835 97.51801      38.02840 41.61999       40.67393 70.83596 19.37730 48.03016 19.69192 22.80580       27.62700 
1 1 1 14  8  0  o 290.5106 3.677425 1137.450       28.75569 1123.072      40.02108 1152.794       41.34458 288.6175 5.149709 292.4036 5.251126 -3.786102      7.354851 
1 1 1 14  8  1  o 217.5538 3.303657 637.9169       19.34938 651.5392      27.67466 624.8890       27.06388 219.8249 4.675434 215.2827 4.668717 4.542267       6.607314 
1 1 1 14  8  2  o 310.3928 3.906670 1299.499       32.65067 1299.343      46.01943 1299.657       46.33218 310.3759 5.506425 310.4097 5.543246 -0.3375244E-01 7.813341 
1 1 1 14  8  3  o 288.7605 3.812064 1124.402       29.63623 1109.416      41.49743 1140.002       42.33916 286.7989 5.373538 290.7221 5.408550 -3.923157      7.624127 
1 1 1 14  8  4  o 413.4784 4.814894 2307.136       53.60593 2329.325      75.97107 2285.134       75.65041 415.4609 6.791015 411.4958 6.827512 3.965057       9.629787 
1 1 1 14  8  5  o 178.4807 3.648788 428.2501       17.51297 455.2890      25.52363 404.1953       24.07406 183.7906 5.157460 173.1709 5.162869 10.61972       7.297576 
1 1 1 14  8  6  o 143.1526 4.114229 276.3838       15.80321 277.5041      21.49185 275.0650       23.31789 143.4771 5.562984 142.8282 6.063063 0.6489105      8.228458 
1 1 1 14  8  7  o 216.7305 3.905599 632.7708       22.77355 626.2332      31.49977 639.9299       32.96338 215.5621 5.426896 217.8989 5.618151 -2.336731      7.811198 
1 1 1 14  8  8  o 251.5695 3.998520 848.1954       26.99430 795.8560      36.39182 912.2230       40.25058 242.9948 5.561902 260.1441 5.746121 -17.14925      7.997041 
1 1 1 14  8  9  o 130.1019 5.253004 228.5581       18.26918 227.9560      24.39819 229.3265       27.56345 129.9324 6.973598 130.2714 7.857805 -0.3390198     10.50601 
1 1 1 14  8  10 o 199.5519 4.359210 537.9968       23.35226 542.0833      31.87642 533.2632       34.30761 200.3936 5.907479 198.7101 6.411907 1.683533       8.718420 
1 1 1 14  8  11 o 88.63214 8.827146 105.5259       20.63693 99.57625      26.33112 115.0002       33.22744 85.53436 11.43261 91.72992 13.45249 -6.195564      17.65429 
1 1 1 14  8  12 o 304.9896 5.170679 1257.942       42.21719 1245.740      56.60704 1273.236       63.37237 303.4128 6.928723 306.5663 7.677011 -3.153503      10.34136 
1 1 1 14  8  13 o 322.4127 5.718935 1439.887       49.36090 1432.460      66.29015 1449.131       73.95004 321.9704 7.646271 322.8550 8.506433 -0.8846130     11.43787 
1 1 1 14  8  14 o 86.81891 15.09373 115.9856       33.94337 106.3173      42.27435 133.5287       56.94503 82.87100 19.30380 90.76682 23.20876 -7.895813      30.18746 
1 1 1 14  8  15 o 68.25941 14.76208 75.90767       30.29108 88.75446      37.39434 51.39045       51.65880 75.70611 18.50075 60.81273 23.00867 14.89338       29.52417 
1 1 1 14  8  16 f 165.3105 7.949222 403.8564       32.70946 442.6119      40.65972 332.7701       55.06687 178.7942 8.445543 151.8268 13.46972 26.96739       15.89844 
1 1 1 14  8  17 o 120.7247 9.924536 208.9765       31.24236 184.5961      38.80412 253.9047       52.67651 112.0726 12.85864 129.3768 15.12088 -17.30428      19.84907 
1 1 1 14  8  18 o 105.4441 10.61875 179.5329       29.56321 181.5812      38.66460 176.6501       45.87018 108.0609 13.28805 102.8273 16.56680 5.233627       21.23749 
1 1 1 14  10 0  f 342.7702 4.104142 1584.340       37.86860 1555.672      52.77191 1614.773       54.37254 339.5790 5.771365 345.9613 5.836717 -6.382294      8.208283 
1 1 1 14  10 1  o 244.9322 3.443546 809.1765       22.70326 816.5148      31.78292 801.5307       32.44174 246.0723 4.796757 243.7922 4.941980 2.280136       6.887093 
1 1 1 14  10 2  o 161.6705 3.344576 352.1621       14.55679 360.2139      20.83764 344.4872       20.34405 163.4746 4.733853 159.8665 4.726032 3.608124       6.689151 
1 1 1 14  10 3  o 243.6752 3.584869 799.4669       23.50666 826.7266      33.99200 774.4829       32.54225 247.6499 5.097476 239.7004 5.041913 7.949432       7.169738 
1 1 1 14  10 4  o 229.1563 3.636905 707.1774       22.41049 696.8118      30.79888 718.8408       32.67030 227.3788 5.030388 230.9339 5.253903 -3.555054      7.273809 
1 1 1 14  10 5  o 84.22614 5.866263 95.84087       13.27410 104.0990      18.89266 87.78971       18.65443 87.82031 7.989412 80.63197 8.591941 7.188339       11.73253 
1 1 1 14  10 6  o 231.1509 3.844965 715.0644       23.79984 675.2907      31.71714 766.3199       36.00531 223.8531 5.261959 238.4487 5.607744 -14.59560      7.689929 
1 1 1 14  10 7  o 193.4953 3.940405 505.3866       20.46842 515.2153      28.03992 494.1750       29.94761 195.5216 5.325969 191.4689 5.808720 4.052612       7.880811 
1 1 1 14  10 8  f 226.4737 4.217856 693.5145       25.61845 712.1412      34.98522 671.9791       37.61776 229.7829 5.654360 223.1644 6.260148 6.618484       8.435712 
1 1 1 14  10 9  o 260.6710 4.330173 916.7530       30.23336 911.9672      40.67053 922.6641       45.20014 259.9462 5.810494 261.3957 6.421817 -1.449554      8.660345 
1 1 1 14  10 10 f 175.7863 5.163296 428.9991       23.52102 466.6267      30.28838 371.8327       37.33305 185.8794 6.051477 165.6933 8.367683 20.18614       10.32659 
1 1 1 14  10 11 o 216.4523 5.547236 635.8447       31.56092 639.8817      40.53643 629.6307       50.29282 217.4761 6.922305 215.4285 8.670007 2.047577       11.09447 
1 1 1 14  10 12 o 218.1043 5.878253 646.2372       32.91232 644.0845      40.78288 650.2577       55.73319 217.9252 6.950036 218.2834 9.482216 -0.3582001     11.75651 
1 1 1 14  10 13 o 86.93594 15.73748 115.0642       35.97787 130.1019      41.94243 73.18270       69.99620 97.49685 15.97643 76.37503 27.11875 21.12182       31.47495 
1 1 1 14  10 14 o 202.2620 6.837897 551.5214       34.99257 529.0895      42.36348 599.6942       62.08115 196.6626 7.999933 207.8613 11.09182 -11.19864      13.67579 
1 1 1 14  10 15 o 99.49581 12.92773 127.4906       31.79224 90.28047      37.54281 221.8185       59.77452 76.64314 18.42004 122.3485 18.14404 -45.70535      25.85545 
1 1 1 14  10 16 o 148.8435 8.785411 325.2029       32.38441 334.8489      39.31327 304.8394       57.12045 154.4715 9.451645 143.2154 14.81216 11.25610       17.57082 
1 1 1 14  10 17 o 94.90865 12.30494 144.1414       29.50420 133.2767      36.56133 164.4268       49.95791 92.70475 14.64659 97.11256 19.77684 -4.407806      24.60988 
1 1 1 14  10 18 o 53.53794 13.96852 57.02551       26.60267 52.60250      37.01091 61.75312       38.26410 51.86906 19.50897 55.20682 19.99697 -3.337757      27.93705 
1 1 1 14  12 0  f 494.1323 5.532061 3295.579       73.57455 3364.168      105.9534 3231.707       102.2459 499.0824 7.884227 489.1821 7.762328 9.900299       11.06412 
1 1 1 14  12 1  o 140.8873 3.180416 265.4848       12.01317 289.4800      18.04410 246.3815       16.10001 146.5599 4.572320 135.2147 4.422000 11.34520       6.360833 
1 1 1 14  12 2  o 330.3631 4.133685 1470.304       36.72927 1447.818      50.58005 1495.389       53.42250 327.7023 5.732135 333.0239 5.957519 -5.321625      8.267369 
1 1 1 14  12 3  o 150.7781 3.630946 305.4803       14.67345 297.2002      19.70920 315.7769       21.97856 148.4994 4.929022 153.0567 5.332900 -4.557266      7.261893 
1 1 1 14  12 4  o 220.0426 5.002773 652.4650       29.64156 652.4650      29.64156 0.000000       0.000000 220.0426 5.002773 ?        ?        ?              ?        
1 1 1 14  12 5  o 489.1845 5.588595 3228.688       73.60628 3225.475      103.3390 3231.996       104.8678 488.9447 7.849125 489.4243 7.957438 -0.4796143     11.17719 
1 1 1 14  12 6  o 41.42611 10.85850 17.55142       15.07115 16.52102      18.00919 19.95950       27.53128 38.15398 13.73335 44.69823 16.82329 -6.544250      21.71700 
1 1 1 14  12 7  o 107.7560 6.516953 156.3323       17.28861 155.1406      20.59442 159.1764       31.81621 107.1771 7.136154 108.3348 10.90679 -1.157715      13.03391 
1 1 1 14  12 8  o 279.9241 4.570229 1060.854       34.04818 1075.972      45.03841 1040.689       52.01420 282.3272 5.924435 277.5211 6.960535 4.806152       9.140458 
1 1 1 14  12 9  o 148.3261 6.061950 309.9956       22.07857 329.9303      26.78233 267.7147       39.00460 156.2740 6.364705 140.3782 10.31889 15.89583       12.12390 
1 1 1 14  12 10 o 57.91527 14.23054 35.86136       24.25466 26.86212      27.91492 63.58603       48.99669 47.55831 17.10023 68.27222 22.75115 -20.71392      28.46107 
1 1 1 14  12 11 o 205.9554 6.865409 594.1594       34.29648 617.6621      40.96830 539.1062       62.70172 213.5110 7.125974 198.3997 11.73694 15.11133       13.73082 
1 1 1 14  12 12 o 215.2317 9.192681 626.8412       53.27602 626.8412      53.27602 0.000000       0.000000 215.2317 9.192681 ?        ?        ?              ?        
1 1 1 14  12 13 o 259.8293 6.340606 912.7413       40.88765 894.6487      48.89374 954.8214       74.56615 256.4208 7.081360 263.2379 10.51986 -6.817078      12.68121 
1 1 1 14  12 14 o 197.6309 7.464259 548.2535       36.25574 555.9838      43.45329 530.5418       65.77385 201.2917 8.017031 193.9702 12.59317 7.321518       14.92852 
1 1 1 14  12 15 o 79.94286 14.81734 112.2076       31.28151 121.4826      35.82052 82.40887       64.20534 90.75208 14.65858 69.13362 25.75540 21.61846       29.63469 
1 1 1 14  12 16 o 86.95294 14.91785 119.6608       32.14689 96.14374      37.93666 179.5550       60.54238 75.22829 18.78498 98.67760 23.17959 -23.44931      29.83570 
1 1 1 14  12 17 o 71.04391 13.41416 102.1796       27.96124 125.8653      36.23754 67.32690       43.95756 85.42583 16.34941 56.66201 21.27100 28.76382       26.82832 
1 1 1 14  14 0  o 342.1941 5.622731 1511.028       45.59619 1439.737      52.54209 1728.459       91.75977 326.7673 5.971526 357.6209 9.528971 -30.85358      11.24546 
1 1 1 14  14 1  o 168.1431 5.613542 365.6655       18.26915 358.9820      19.76023 405.0044       47.94034 163.2220 4.496038 173.0641 10.28752 -9.842163      11.22708 
1 1 1 14  14 2  o 430.6032 5.069752 2501.526       58.75959 2524.551      82.18662 2477.449       84.04163 432.6432 7.054851 428.5633 7.282762 4.079895       10.13950 
1 1 1 14  14 3  o 430.5179 5.117753 2495.752       59.15353 2448.874      80.30361 2551.365       87.46602 426.1302 6.998570 434.9055 7.468976 -8.775269      10.23551 
1 1 1 14  14 4  o 122.1461 5.595498 185.4984       14.84215 175.6192      16.44765 228.8199       34.44244 114.1521 5.351021 130.1400 9.828783 -15.98789      11.19100 
1 1 1 14  14 5  o 270.7946 5.350049 1005.477       34.36911 1023.541      40.24096 956.7720       66.07700 275.5360 5.423837 266.0531 9.223561 9.482910       10.70010 
1 1 1 14  14 6  o 249.9541 5.920320 879.3087       32.88025 908.0705      37.50888 783.8689       68.32668 259.4681 5.368670 240.4401 10.55358 19.02800       11.84064 
1 1 1 14  14 7  o 230.6516 5.906913 727.7263       29.86871 733.2409      33.67497 707.3851       64.67526 233.1006 5.365133 228.2026 10.52530 4.897995       11.81383 
1 1 1 14  14 8  o 240.4649 6.244120 790.6823       34.06918 797.0419      38.94061 769.9276       70.34694 242.9608 5.952277 237.9690 10.97846 4.991776       12.48824 
1 1 1 14  14 9  o 69.24434 15.22225 38.26660       25.00842 22.80235      27.05470 129.0496       65.55118 45.31916 16.75126 93.16952 25.42169 -47.85035      30.44449 
1 1 1 14  14 10 o 116.3802 13.21309 205.9743       28.95038 209.2646      31.71980 189.5620       70.84401 123.3540 9.549788 109.4064 24.64030 13.94759       26.42617 
1 1 1 14  14 11 o 115.4632 16.13003 161.4279       39.05437 145.6110      42.85121 239.0036       94.89976 103.2141 15.41845 127.7123 28.33695 -24.49818      32.26006 
1 1 1 14  14 12 o 153.9848 9.983428 331.0926       34.38118 329.5920      39.02557 336.2952       72.66702 155.0007 9.350441 152.9688 17.64213 2.031906       19.96686 
1 1 1 14  14 13 o 294.8301 7.041506 1200.028       49.34524 1194.476      57.59733 1215.346       95.67321 295.5555 7.237357 294.1048 12.08105 1.450684       14.08301 
1 1 1 14  14 14 o 134.5860 11.08299 256.6691       32.09691 247.6677      35.77716 293.7931       72.65717 132.7338 10.01016 136.4382 19.77695 -3.704361      22.16599 
1 1 1 14  14 15 o 172.4238 8.620567 441.9647       34.43862 448.6610      40.03727 422.9178       67.52436 178.8103 8.315502 166.0373 15.10328 12.77299       17.24113 
1 1 1 14  14 16 o 126.3848 11.56609 242.6402       39.36087 242.6402      39.36087 0.000000       0.000000 126.3848 11.56609 ?        ?        ?              ?        
1 1 1 14  16 0  o 377.9431 7.020356 1929.339       71.40145 1936.928      102.8696 1922.283       99.18495 378.6394 10.08969 377.2468 9.764205 1.392670       14.04071 
1 1 1 14  16 1  o 322.7036 6.559982 1404.428       56.96397 1349.621      78.88859 1464.136       82.34070 316.1352 9.267400 329.2720 9.287020 -13.13678      13.11996 
1 1 1 14  16 2  o 338.1955 5.467539 1529.756       38.44559 1522.096      42.46791 1564.546       90.50220 336.1016 4.692528 340.2895 9.877050 -4.187866      10.93508 
1 1 1 14  16 3  o 196.0127 5.344285 528.9472       16.68122 531.4362      17.57559 506.3416       52.96711 198.6211 3.286254 193.4042 10.17084 5.216934       10.68857 
1 1 1 14  16 4  o 583.7466 7.694880 4620.674       102.3666 4619.287      116.9835 4625.210       211.4878 584.7233 7.430035 582.7698 13.47736 1.953430       15.38976 
1 1 1 14  16 5  o 182.3250 5.683878 439.9283       16.76713 437.4821      17.65679 462.3839       53.49683 180.1679 3.639576 184.4821 10.76937 -4.314194      11.36776 
1 1 1 14  16 6  o 134.1139 7.692793 211.7714       20.20970 198.6198      21.73607 295.6691       54.89942 121.2322 6.658550 146.9956 13.87011 -25.76346      15.38559 
1 1 1 14  16 7  o 209.3242 7.413439 609.0803       31.12324 615.8323      34.20615 576.6065       75.01604 213.5094 5.949819 205.1389 13.58072 8.370529       14.82688 
1 1 1 14  16 8  f 75.98790 14.28724 85.95501       24.76152 90.24236      26.86219 61.71488       63.87265 81.25464 12.27750 70.72115 25.80240 10.53349       28.57448 
1 1 1 14  16 9  o 100.6357 15.52815 167.1137       32.05019 177.0611      35.07150 116.7276       78.93255 113.5256 11.47300 87.74580 28.85938 25.77984       31.05630 
1 1 1 14  16 10 o 327.7019 7.687469 1495.669       57.13968 1502.503      65.33619 1473.440       117.8289 331.8655 7.311530 323.5383 13.52517 8.327240       15.37494 
1 1 1 14  16 11 o 176.6155 9.472561 442.8297       34.42283 443.4725      38.08409 439.9601       80.46098 179.8656 7.863432 173.3654 17.23613 6.500214       18.94512 
1 1 1 14  16 12 o 191.6624 8.978407 550.1173       35.74678 571.6544      40.07539 466.2648       79.07564 204.4164 7.280792 178.9083 16.41454 25.50807       17.95681 
1 1 1 14  16 13 o 172.6698 8.162539 413.5980       37.95116 413.5980      37.95116 0.000000       0.000000 172.6698 8.162539 ?        ?        ?              ?        
1 1 1 14  16 14 o 63.58362 16.08571 71.37527       31.04184 71.43402      34.08578 71.08968       75.14837 64.78284 18.57724 62.38440 26.26568 2.398434       32.17141 
1 1 1 14  16 15 o 63.62838 14.57150 90.35165       30.31778 98.86980      33.45623 51.23338       71.69592 74.92937 16.97543 52.32738 23.68858 22.60199       29.14299 
1 1 1 14  18 0  f 161.0788 8.364036 356.4658       35.82016 307.8378      52.35952 399.2471       49.11111 150.5013 12.92028 171.6563 10.62519 -21.15500      16.72807 
1 1 1 14  18 1  o 357.7366 7.124477 1734.117       68.61977 1719.201      97.51501 1748.747       96.57781 356.1920 10.16726 359.2812 9.982963 -3.089233      14.24895 
1 1 1 14  18 2  o 382.4583 7.212951 1983.883       74.27065 1955.814      103.9552 2013.148       106.1483 379.7051 10.16755 385.2114 10.23365 -5.506317      14.42590 
1 1 1 14  18 3  o 329.0352 5.663049 1493.562       39.24150 1511.295      43.70678 1419.836       89.11825 334.7171 4.849394 323.3534 10.23542 11.36371       11.32610 
1 1 1 14  18 4  o 348.6856 6.077229 1679.327       51.36603 1724.061      61.08406 1571.320       94.91502 357.2523 6.349938 340.1190 10.36384 17.13324       12.15446 
1 1 1 14  18 5  o 99.38971 11.57346 113.8666       18.08018 108.2765      18.90542 173.7366       61.87030 89.40938 7.852715 109.3700 21.77418 -19.96066      23.14692 
1 1 1 14  18 6  o 161.6516 8.694374 326.8541       21.64635 320.5838      22.60174 396.3539       75.24696 154.0755 5.447846 169.2277 16.51331 -15.15215      17.38875 
1 1 1 14  18 7  o 99.10542 15.70843 157.3448       26.88548 155.7575      28.36460 171.3841       84.35777 105.2643 10.00719 92.94656 29.78046 12.31774       31.41687 
1 1 1 14  18 8  o 282.7556 8.736029 1206.343       43.92502 1252.224      47.47231 933.3018       115.8077 304.6274 5.787459 260.8837 16.48569 43.74368       17.47206 
1 1 1 14  18 9  o 56.84443 13.51203 48.33500       19.47589 53.80888      20.20033 -23.90231      73.38229 61.13352 12.68696 52.55534 23.86087 8.578178       27.02406 
1 1 1 14  18 10 o 76.07195 14.62691 78.56409       19.55077 76.73802      20.32556 101.1559       71.49222 74.28774 10.16113 77.85616 27.43242 -3.568413      29.25382 
1 1 1 14  18 11 o 54.37903 14.02728 41.16540       20.36503 43.51861      21.35991 17.65496       67.51501 53.72910 14.44983 55.02896 24.04706 -1.299862      28.05456 
1 1 1 14  18 12 o 58.84473 14.32466 53.91889       21.99759 55.67785      23.22030 38.52417       68.69508 60.12602 14.50879 57.56343 24.70382 2.562595       28.64932 
1 1 1 14  18 13 o 65.32272 13.96948 77.81183       23.20916 80.04285      24.84179 62.49286       65.09483 71.95161 13.31241 58.69381 24.56350 13.25780       27.93897 
1 1 1 14  18 14 o 73.70940 12.57005 126.7594       25.26798 140.4325      27.31929 45.83212       66.46368 96.86359 10.47431 50.55522 22.85417 46.30837       25.14009 
1 1 1 14  20 0  o 148.0422 9.540285 296.8861       37.78537 323.4561      57.54164 276.7435       50.10088 153.7429 13.89965 142.3416 13.07164 11.40129       19.08057 
1 1 1 14  20 1  o 184.9465 8.755051 465.8929       43.58130 451.7744      60.58204 481.0356       62.74119 182.0492 12.35867 187.8437 12.40431 -5.794556      17.51010 
1 1 1 14  20 2  o 260.6242 8.423024 926.6572       59.09942 903.7942      83.40158 949.7159       83.75796 257.3597 12.03512 263.8886 11.78751 -6.528931      16.84605 
1 1 1 14  20 3  o 238.1652 9.113275 774.8609       58.13678 755.9584      77.91499 798.6035       87.32254 235.0788 12.30904 241.2516 13.44227 -6.172821      18.22655 
1 1 1 14  20 4  o 277.7306 6.746901 1047.069       31.30292 1046.446      33.15087 1052.189       95.08463 278.4802 4.420966 276.9809 12.74903 1.499298       13.49380 
1 1 1 14  20 5  o 154.8461 11.77612 381.2956       25.73144 391.4307      26.97648 279.0377       85.68784 170.1459 5.888171 139.5464 22.80433 30.59955       23.55223 
1 1 1 14  20 6  o 265.0731 7.993862 971.6168       34.61418 975.6574      36.59327 937.2636       106.6988 268.8995 5.053914 261.2467 15.16790 7.652832       15.98772 
1 1 1 14  20 7  o 159.1436 10.46309 406.5330       28.46407 425.4409      30.71493 291.5271       75.75094 176.9821 6.445205 141.3050 19.90889 35.67711       20.92617 
1 1 1 14  20 8  o 80.10564 14.17751 70.26448       16.37645 66.10981      16.83809 142.9326       70.42010 69.16584 9.041026 91.04544 26.87503 -21.87960      28.35502 
1 1 1 14  20 9  o 64.47362 14.54707 42.30442       16.69467 37.94541      17.27597 103.8275       64.90345 50.75257 12.67845 78.19466 26.18637 -27.44210      29.09414 
1 1 1 14  20 10 o 116.2975 11.47362 174.8898       18.05142 169.7623      18.69352 245.7062       69.47100 111.2949 6.237811 121.3001 22.08316 -10.00518      22.94725 
1 1 1 14  20 11 o 92.35780 13.63713 162.7725       19.15889 167.0764      20.01120 115.4526       66.35412 109.8696 6.764136 74.84604 26.42219 35.02351       27.27426 
1 1 1 14  20 12 o 81.46305 13.54923 130.5785       20.31293 132.9684      21.33695 107.4576       66.36587 96.57107 8.205440 66.35503 25.82629 30.21603       27.09846 
1 1 1 14  22 0  o 131.6528 14.38736 242.4874       50.91267 252.4486      74.73470 233.8610       69.54761 134.0775 20.70060 129.2281 19.98674 4.849457       28.77472 
1 1 1 14  22 1  o 66.19147 18.99949 55.26155       53.86728 75.50132      70.04074 25.95577       84.28001 70.38205 26.75227 62.00088 26.98590 8.381172       37.99899 
1 1 1 14  22 2  f 235.1579 11.25585 752.9565       70.77908 708.7438      93.72815 811.6252       107.9692 227.3636 15.30967 242.9521 16.50425 -15.58856      22.51169 
1 1 1 14  22 3  o 268.6065 11.38313 990.2374       80.59051 994.1231      104.0306 984.4057       127.4455 269.7731 14.32119 267.4399 17.69763 2.333221       22.76626 
1 1 1 14  22 4  o 384.4053 7.211123 2070.526       55.49172 2076.644      60.91495 2040.683       134.5347 390.5221 5.792885 378.2885 13.20771 12.23355       14.42225 
1 1 1 14  22 5  o 229.2747 7.363991 738.0448       32.52749 741.8939      35.40144 717.1841       82.41477 233.6792 5.626228 224.8703 13.61099 8.808975       14.72798 
1 1 1 14  22 6  o 100.7638 13.26412 140.6566       17.61460 138.6837      18.20353 169.6758       69.81472 100.7988 6.706823 100.7288 25.66645 0.7002258E-01  26.52825 
1 1 1 14  22 7  o 84.02090 13.61535 126.1001       18.53676 129.7178      19.30798 83.50992       66.24863 97.14699 7.381153 70.89481 26.21125 26.25217       27.23070 
1 1 1 14  22 8  o 70.24651 12.81737 92.28945       20.16972 98.87849      21.32791 36.51704       62.05075 83.97031 9.432767 56.52270 23.83617 27.44762       25.63475 
1 1 1 14  22 9  o 55.17597 15.43062 22.35473       19.89661 14.72646      20.70360 114.5238       71.96567 36.48270 14.35907 73.86925 27.31726 -37.38655      30.86123 
1 1 1 14  22 10 o 41.72440 12.72684 19.12897       20.07028 22.59894      21.11228 -13.44337      64.68400 39.61015 14.76653 43.83864 20.73257 -4.228489      25.45368 
1 1 1 14  22 11 o 96.81851 14.00752 162.2490       20.83296 158.6690      21.82556 198.9441       69.87567 105.3774 7.691918 88.25965 26.93838 17.11773       28.01503 
1 1 1 14  24 0  o 71.52295 14.74874 88.96021       23.80954 94.84534      24.61518 3.444138       93.83160 82.32988 11.10356 60.71601 27.32787 21.61386       29.49748 
1 1 1 14  24 1  o 94.98508 19.71542 134.4114       53.88789 87.87225      67.56437 215.7732       89.33445 76.04324 26.67780 113.9269 29.03595 -37.88368      39.43085 
1 1 1 14  24 2  o 214.1461 10.04862 642.3245       56.72856 584.4518      72.01576 736.9530       92.08762 202.6577 13.19718 225.6344 15.15698 -22.97665      20.09725 
1 1 1 14  24 3  o 91.12982 16.74597 137.8091       44.00745 189.6889      60.99267 81.47265       63.55846 110.1440 21.33592 72.11565 25.81644 38.02833       33.49194 
1 1 1 14  24 4  o 202.9872 7.735694 636.9876       22.82281 650.0211      23.95471 508.7680       75.13403 219.0675 4.060968 186.9068 14.92891 32.16064       15.47139 
1 1 1 14  24 5  o 182.5396 8.246689 502.1401       21.52915 507.8310      22.51467 441.3704       73.57304 193.4144 4.323081 171.6648 15.91674 21.74954       16.49338 
1 1 1 14  24 6  o 126.3224 11.65745 268.9772       18.77679 273.8019      19.59399 214.7283       65.70242 141.6161 5.138387 111.0287 22.74163 30.58741       23.31490 
1 1 1 14  24 7  o 49.47477 13.67504 32.51275       18.10694 32.41021      18.83770 33.75797       65.64603 45.61993 13.99796 53.32960 23.49646 -7.709667      27.35007 
1 1 1 14  24 8  o 61.13380 13.02973 70.21828       20.40854 72.38340      21.48619 50.24422       65.26084 69.29961 11.51450 52.96798 23.37759 16.33164       26.05946 
1 1 1 14  24 9  o 37.35318 12.60909 -1.814262      21.69985 -2.815619     22.84052 7.466695       69.53571 29.65384 13.40221 45.05251 21.36206 -15.39866      25.21818 
1 1 1 14  26 0  o 27.89623 8.630696 -14.70689      14.62155 11.35198      18.98980 -52.65146      22.91487 34.71262 13.72340 21.07985 10.47015 13.63277       17.26139 
1 1 1 14  26 1  o 133.2792 3.678473 246.1550       12.96922 208.0726      19.15179 278.4098       17.62560 123.4155 5.763103 143.1430 4.572888 -19.72748      7.356946 
1 1 1 14  26 2  o 51.94101 13.53500 32.54188       13.77841 32.42349      14.06543 35.35429       68.55361 46.75773 11.29773 57.12429 24.59972 -10.36655      27.07000 
1 1 1 14  26 3  o 103.9891 14.09860 172.6738       15.80219 171.9998      16.16050 187.3714       75.46091 112.1039 5.353658 95.87418 27.68429 16.22974       28.19719 
1 1 1 14  26 4  o 47.92695 14.24532 23.72402       16.23369 22.69077      16.60115 46.29169       77.58521 39.18342 13.24314 56.67048 25.22570 -17.48706      28.49064 
1 1 1 14  26 5  o 47.68140 13.09865 32.70100       15.97510 32.95184      16.42188 28.27823       68.95592 45.47894 12.84477 49.88386 22.83221 -4.404919      26.19729 
1 1 1 14  26 6  o 47.90538 11.88909 40.79036       15.41783 43.32537      15.79693 -10.13235      70.80090 52.49231 11.49461 43.31845 20.81528 9.173859       23.77819 
1 1 1 14  28 0  o 102.9975 7.212794 167.2243       17.89704 196.8361      22.45386 115.6407       29.63566 118.6237 7.029685 87.37125 12.59687 31.25249       14.42559 
1 1 1 14  28 1  f 65.58504 9.383965 74.64957       15.49261 89.89278      19.43880 48.10778       25.65055 78.68366 9.174906 52.48640 16.37243 26.19726       18.76793 
1 1 1 14  28 2  o 132.2612 4.123131 243.9555       14.59622 211.4667      20.39182 278.0901       20.90197 122.9637 6.158793 141.5587 5.483621 -18.59492      8.246262 
1 1 1 15  1  0  o 472.1964 5.253721 3008.153       66.79041 3038.584      95.40823 2978.907       93.53155 474.5327 7.466831 469.8602 7.392750 4.672424       10.50744 
1 1 1 15  1  1  o 106.1500 4.408840 151.2901       12.57011 162.3595      18.59390 141.9731       17.05877 109.7074 6.294352 102.5926 6.175161 7.114815       8.817680 
1 1 1 15  1  2  o 255.3084 3.545938 878.8971       24.37679 882.8317      34.55060 874.9972       34.39787 255.8773 5.014647 254.7394 5.014780 1.137894       7.091876 
1 1 1 15  1  3  o 161.3141 3.679835 348.5838       15.93043 383.7991      23.69106 319.5196       21.52277 168.7006 5.215362 153.9276 5.192758 14.77299       7.359669 
1 1 1 15  1  4  o 280.2737 3.820746 1059.380       28.83246 1048.262      40.47436 1070.834       41.08297 278.7821 5.391775 281.7654 5.414904 -2.983307      7.641493 
1 1 1 15  1  5  o 154.4314 3.999802 321.4792       16.62918 315.5323      23.23671 327.7222       23.80812 152.9687 5.641424 155.8942 5.671683 -2.925476      7.999603 
1 1 1 15  1  6  o 134.8426 4.509858 245.3080       16.36809 252.1595      23.07650 238.3710       23.22010 136.7421 6.267356 132.9431 6.486566 3.798981       9.019716 
1 1 1 15  1  7  o 169.3265 4.108829 386.6194       18.72139 382.9687      26.89957 390.0490       26.07191 168.5467 5.927092 170.1063 5.692056 -1.559570      8.217659 
1 1 1 15  1  8  o 286.6698 4.110885 1107.435       31.72615 1094.681      44.34719 1120.805       45.40669 284.9816 5.779175 288.3580 5.847960 -3.376404      8.221770 
1 1 1 15  1  9  o 211.7422 4.113311 604.4095       23.45132 604.5637      33.30579 604.2579       33.02633 211.7679 5.840853 211.7165 5.793249 0.5133057E-01  8.226622 
1 1 1 15  1  10 f 176.7984 4.489751 422.0599       21.36678 429.1994      30.00570 414.7155       30.43321 178.3229 6.249041 175.2739 6.448328 3.048965       8.979502 
1 1 1 15  1  11 o 306.5751 4.397072 1269.031       36.28865 1248.917      50.62022 1290.297       52.04941 304.0826 6.182284 309.0675 6.254306 -4.984833      8.794145 
1 1 1 15  1  12 o 40.85377 11.53267 -2.052985      21.98901 -36.65120     30.93927 33.26060       31.25749 30.02433 14.24008 51.68321 18.14470 -21.65888      23.06534 
1 1 1 15  1  13 o 88.33852 10.42901 109.2356       24.10217 92.85744      32.94680 128.0917       35.35131 80.38200 15.78530 96.29503 13.63384 -15.91303      20.85803 
1 1 1 15  1  14 o 40.43259 13.18904 -36.22705      33.32810 -43.59743     45.31332 -27.54116      49.19124 37.92170 17.75067 42.94347 19.51196 -5.021767      26.37808 
1 1 1 15  1  15 o 205.3407 6.113262 580.0311       33.77747 552.9892      47.58099 607.5038       47.95835 200.4285 8.816389 210.2530 8.471079 -9.824524      12.22652 
1 1 1 15  1  16 o 138.3863 8.075150 269.5377       29.95415 238.2128      41.86931 302.3802       42.87160 129.8491 11.97495 146.9235 10.83665 -17.07442      16.15030 
1 1 1 15  1  17 o 149.5394 7.334068 318.1615       29.47878 326.3393      40.87177 309.2951       42.55791 151.8232 9.997742 147.2556 10.73310 4.567627       14.66814 
1 1 1 15  1  18 o 138.7060 7.930802 285.9460       29.50975 311.4604      41.69651 260.3419       41.76974 145.5617 10.63823 131.8503 11.76515 13.71140       15.86160 
1 1 1 15  3  0  o 203.6019 3.360528 558.7100       18.42311 562.6932      26.04294 554.7197       26.06549 204.3291 4.733433 202.8746 4.771500 1.454559       6.721056 
1 1 1 15  3  1  o 212.9418 3.396455 610.8776       19.46804 623.8641      27.98270 598.6954       27.10233 215.1325 4.830590 210.7511 4.775879 4.381378       6.792910 
1 1 1 15  3  2  o 159.3995 3.505263 341.9843       15.02906 357.3446      21.87573 328.2533       20.68299 162.7810 4.990861 156.0179 4.923290 6.763107       7.010526 
1 1 1 15  3  3  o 71.68443 6.221255 69.69333       11.96663 66.97069      17.45962 72.10541       16.43369 70.34399 9.217741 73.02486 8.357589 -2.680862      12.44251 
1 1 1 15  3  4  f 562.3192 6.227250 4274.980       94.28860 4264.008      133.0251 4286.059       133.6657 561.5967 8.796818 563.0417 8.816494 -1.445068      12.45450 
1 1 1 15  3  5  o 204.7983 3.758148 565.1451       20.71911 582.4706      29.64918 548.6097       28.96528 207.8654 5.297209 201.7312 5.332381 6.134109       7.516296 
1 1 1 15  3  6  o 389.8053 4.662075 2049.486       48.93352 2052.966      69.37339 2046.039       69.03276 390.1335 6.603836 389.4771 6.582487 0.6564026      9.324150 
1 1 1 15  3  7  o 251.8948 3.888763 855.1890       26.36973 855.2249      36.88322 855.1512       37.71555 251.9033 5.437656 251.8863 5.560740 0.1695251E-01  7.777527 
1 1 1 15  3  8  o 327.4587 4.321424 1444.914       38.09159 1470.201      54.71356 1421.129       53.06361 330.2348 6.153025 324.6826 6.069520 5.552216       8.642847 
1 1 1 15  3  9  f 155.9058 4.575359 326.6691       19.15160 364.0058      27.94261 293.5910       26.30079 164.2837 6.316682 147.5279 6.620814 16.75587       9.150719 
1 1 1 15  3  10 o 188.6490 4.311006 478.7769       21.86107 516.4741      31.94530 445.5741       29.98060 195.6124 6.064951 181.6856 6.128250 13.92679       8.622011 
1 1 1 15  3  11 o 350.0376 4.674953 1654.662       44.04450 1692.657      63.42651 1619.277       61.20930 353.9071 6.655768 346.1681 6.566697 7.738983       9.349907 
1 1 1 15  3  12 o 109.3819 8.076474 163.5879       23.70638 179.3451      33.57744 147.9271       33.47456 114.7132 10.87053 104.0506 11.94777 10.66264       16.15295 
1 1 1 15  3  13 o 331.0863 7.209028 1500.907       64.26897 0.000000      0.000000 1500.907       64.26897 ?        ?        331.0863 7.209028 ?              ?        
1 1 1 15  3  14 o 235.5760 6.142965 751.6085       38.84082 718.0111      52.44968 792.4062       57.79731 229.8279 8.475332 241.3241 8.894540 -11.49625      12.28593 
1 1 1 15  3  15 o 50.09254 13.76108 28.78568       26.94734 37.95014      35.50787 16.33854       41.38148 52.87553 19.24633 47.30954 19.67353 5.565998       27.52215 
1 1 1 15  3  16 o 42.75887 12.99258 4.870074       27.56143 19.40475      37.38617 -12.43305      40.79158 46.17702 18.89959 39.34072 17.83350 6.836300       25.98516 
1 1 1 15  3  17 o 111.9283 10.48931 194.8706       28.32375 279.6983      40.63744 114.7312       39.49850 139.7510 10.79911 84.10548 17.98559 55.64555       20.97861 
1 1 1 15  3  18 o 48.46006 13.52293 36.13700       27.88256 59.58981      37.99060 8.753757       41.05076 56.14518 19.97423 40.77494 18.23482 15.37024       27.04586 
1 1 1 15  5  0  o 367.6837 4.333109 1823.537       42.89950 1831.109      60.85205 1816.055       60.48770 368.4419 6.133704 366.9256 6.122173 1.516296       8.666218 
1 1 1 15  5  1  o 221.5725 3.441397 661.1418       20.51389 644.0202      28.29717 680.1070       29.78176 218.5565 4.808348 224.5885 4.924696 -6.031982      6.882793 
1 1 1 15  5  2  o 294.5324 3.806129 1169.754       30.18230 1190.131      43.05414 1150.062       42.32367 297.0541 5.382648 292.0107 5.382712 5.043427       7.612258 
1 1 1 15  5  3  o 99.01638 4.812809 132.4055       12.83058 130.0367      18.11715 134.7890       18.17336 98.12564 6.856838 99.90712 6.755466 -1.781479      9.625619 
1 1 1 15  5  4  o 94.82633 5.214698 121.5732       13.29247 125.2025      18.44922 117.6555       19.16816 96.30922 7.114213 93.34344 7.626287 2.965775       10.42940 
1 1 1 15  5  5  o 221.0628 3.694137 657.2669       21.93430 639.7300      29.81999 677.9406       32.37712 217.8636 5.083225 224.2619 5.361660 -6.398300      7.388273 
1 1 1 15  5  6  f 240.0907 3.774409 776.5911       24.39482 757.9482      34.05000 796.2520       34.96725 237.1320 5.332656 243.0494 5.342978 -5.917480      7.548817 
1 1 1 15  5  7  o 264.2881 3.978681 941.4484       28.31258 946.4622      39.91392 936.3708       40.16735 264.9980 5.593688 263.5782 5.659529 1.419861       7.957362 
1 1 1 15  5  8  o 159.7435 4.362667 343.1291       18.72826 330.5039      25.53210 357.8341       27.55493 156.5750 6.055930 162.9120 6.281494 -6.337006      8.725333 
1 1 1 15  5  9  o 156.5567 4.637706 330.7143       19.52830 353.0411      27.94684 309.4107       27.29894 161.7267 6.417524 151.3867 6.696915 10.34006       9.275413 
1 1 1 15  5  10 o 212.5230 4.382611 609.8943       25.06741 635.6490      35.64335 584.6891       35.26108 216.9721 6.100862 208.0739 6.293536 8.898254       8.765222 
1 1 1 15  5  11 o 260.3188 4.604918 912.9240       32.19297 882.0935      43.68484 949.5674       47.62546 255.5448 6.348636 265.0930 6.672025 -9.548187      9.209837 
1 1 1 15  5  12 o 225.7123 5.118033 691.8740       30.95480 715.6138      42.20320 664.2314       45.54043 229.9865 6.814901 221.4380 7.637681 8.548523       10.23607 
1 1 1 15  5  13 o 223.2692 6.208305 680.4997       37.21850 706.1458      51.39003 652.2089       53.97486 227.8184 8.377351 218.7201 9.164727 9.098312       12.41661 
1 1 1 15  5  14 o 250.8526 5.956289 873.7661       40.07427 875.7251      54.38424 871.4385       59.27873 251.5055 8.030492 250.1998 8.798904 1.305740       11.91258 
1 1 1 15  5  15 o 44.58533 13.25582 7.377949       28.37559 28.11046      37.40703 -20.71996      43.54760 49.70280 19.37715 39.46787 18.09401 10.23493       26.51164 
1 1 1 15  5  16 o 117.3680 9.099784 198.4529       28.74237 193.8815      39.84719 203.4110       41.49879 116.0294 12.75400 118.7066 12.98306 -2.677261      18.19957 
1 1 1 15  5  17 o 116.7665 9.189086 201.5076       28.58267 196.2672      37.62673 208.6572       43.94989 115.7216 12.07532 117.8114 13.85438 -2.089752      18.37817 
1 1 1 15  5  18 o 38.49130 12.11162 8.401438       25.47541 16.96193      35.52295 -0.6634601     36.55453 40.47725 17.56856 36.50536 16.67666 3.971889       24.22324 
1 1 1 15  7  0  o 333.3658 4.062822 1494.792       36.38757 1565.887      53.68937 1434.392       49.48674 340.6612 5.853050 326.0703 5.636302 14.59091       8.125644 
1 1 1 15  7  1  o 408.5192 4.719506 2252.838       51.91216 2263.944      73.86642 2242.000       72.97152 409.5099 6.698835 407.5284 6.649854 1.981415       9.439013 
1 1 1 15  7  2  o 74.76623 5.849064 75.39825       11.75877 80.74223      17.13053 70.63688       16.16983 77.26610 8.233767 72.26636 8.309711 4.999741       11.69813 
1 1 1 15  7  3  o 310.7657 4.005055 1302.301       33.51303 1291.558      47.19931 1313.224       47.59231 309.4732 5.664077 312.0582 5.663930 -2.584930      8.010111 
1 1 1 15  7  4  o 276.6509 3.833289 1031.218       28.54635 1051.799      41.00422 1011.862       39.76555 279.3261 5.451721 273.9756 5.390284 5.350494       7.666578 
1 1 1 15  7  5  o 151.6152 4.128312 309.9245       16.85072 301.9443      23.74301 318.0234       23.91900 149.6467 5.892306 153.5836 5.783821 -3.936920      8.256624 
1 1 1 15  7  6  o 258.8431 3.907800 903.1112       27.23194 922.2542      38.51062 883.9658       38.51294 261.5898 5.467343 256.0963 5.584959 5.493500       7.815600 
1 1 1 15  7  7  o 336.9341 4.358332 1529.984       39.52900 1511.819      55.10177 1549.244       56.73907 334.8781 6.110762 338.9900 6.216014 -4.111816      8.716664 
1 1 1 15  7  8  o 93.18342 6.726845 116.5445       16.80812 103.2688      22.79613 132.3595       24.88103 87.40243 9.686218 98.96441 9.336967 -11.56198      13.45369 
1 1 1 15  7  9  o 311.7526 4.360542 1310.350       36.57788 1274.467      50.56488 1349.738       52.97728 307.2877 6.111115 316.2174 6.221864 -8.929718      8.721085 
1 1 1 15  7  10 o 58.78753 10.94095 50.31808       18.15667 64.95621      24.30084 31.81943       27.31797 67.73223 13.79289 49.84283 16.98745 17.88940       21.88189 
1 1 1 15  7  11 o 336.5132 4.919922 1531.352       44.53313 1522.747      61.49990 1540.837       64.57101 335.5535 6.806583 337.4728 7.105840 -1.919281      9.839845 
1 1 1 15  7  12 o 392.8321 5.399137 2090.031       57.04642 2053.557      78.55981 2130.719       82.97257 389.2587 7.495122 396.4055 7.773409 -7.146759      10.79827 
1 1 1 15  7  13 o 140.3972 10.42656 275.0258       38.15672 298.5409      49.54745 240.7555       59.81448 148.2095 12.41543 132.5849 16.75440 15.62460       20.85312 
1 1 1 15  7  14 o 121.3177 9.329832 204.0575       29.79314 195.4145      37.98120 217.8822       48.03546 118.4708 11.90623 124.1645 14.36749 -5.693779      18.65966 
1 1 1 15  7  15 o 51.40871 14.25068 27.90557       27.85529 20.82119      34.90933 40.32107       46.21391 46.36911 18.51938 56.44830 21.66470 -10.07918      28.50135 
1 1 1 15  7  16 o 51.85580 14.08691 37.21018       27.79862 43.43672      36.71326 28.84358       42.55733 53.79878 19.57212 49.91283 20.26565 3.885952       28.17383 
1 1 1 15  7  17 o 69.81706 14.03056 89.04134       27.68341 95.15397      35.24411 79.19522       44.73063 74.92044 17.74393 64.71368 21.73889 10.20676       28.06111 
1 1 1 15  7  18 o 39.91413 12.45848 11.62251       27.49471 30.22269      35.66061 -15.64222      43.17486 44.05253 18.28641 35.77573 16.92520 8.276798       24.91697 
1 1 1 15  9  0  o 129.9083 3.606266 227.9252       12.59600 217.3382      18.00429 238.0749       17.62853 126.9419 5.267294 132.8746 4.927092 -5.932693      7.212532 
1 1 1 15  9  1  o 530.9012 5.890414 3809.496       84.20061 3788.270      118.2883 3831.297       119.8830 529.4104 8.297858 532.3922 8.362623 -2.981750      11.78083 
1 1 1 15  9  2  o 242.3935 3.578216 791.9870       23.35332 784.5624      32.82511 799.5968       33.23181 241.2437 5.053204 243.5433 5.067509 -2.299576      7.156432 
1 1 1 15  9  3  o 187.8215 3.655310 475.4841       18.47758 495.2841      26.26728 456.0891       25.99730 191.6954 5.088854 183.9476 5.248688 7.747803       7.310620 
1 1 1 15  9  4  o 361.2024 4.412007 1759.412       42.91053 1772.393      60.75266 1746.489       60.61687 362.5334 6.223487 359.8714 6.255512 2.662079       8.824014 
1 1 1 15  9  5  o 260.0023 3.817136 911.0925       26.71578 911.8243      37.33521 910.3246       38.24485 260.1126 5.330570 259.8920 5.465082 0.2206421      7.634272 
1 1 1 15  9  6  o 267.2518 3.934772 962.8481       28.29394 968.1558      39.31437 957.1452       40.75166 268.0221 5.447503 266.4816 5.679299 1.540466       7.869544 
1 1 1 15  9  7  o 139.2865 4.713188 260.8874       17.65010 243.6380      24.25437 280.3045       25.73326 134.4055 6.701773 144.1676 6.628936 -9.762115      9.426375 
1 1 1 15  9  8  o 180.8859 4.343853 438.1112       20.94291 418.7542      27.46634 464.9961       32.36948 176.1743 5.789948 185.5975 6.477094 -9.423187      8.687707 
1 1 1 15  9  9  o 141.5402 5.195001 271.0055       19.59698 271.5799      25.94500 270.2425       29.90322 141.7598 6.797000 141.3207 7.858302 0.4390259      10.39000 
1 1 1 15  9  10 o 335.9222 4.787338 1525.581       43.28864 1550.339      60.78143 1500.095       61.66693 338.7089 6.664398 333.1356 6.874608 5.573364       9.574677 
1 1 1 15  9  11 o 173.3283 6.108903 403.8983       28.26876 381.1756      37.21680 434.8868       43.46193 167.6772 8.242929 178.9794 9.018254 -11.30219      12.21781 
1 1 1 15  9  12 o 90.73428 13.73747 123.8966       31.25178 138.4994      38.12396 93.98204       54.56597 100.6248 14.07051 80.84379 23.59859 19.78098       27.47494 
1 1 1 15  9  13 o 338.5314 5.542348 1576.860       50.24545 1586.878      67.76411 1564.627       74.88374 340.1099 7.399409 336.9529 8.253439 3.157013       11.08470 
1 1 1 15  9  14 o 141.6406 8.602180 284.0215       31.18402 287.0085      38.72827 278.5142       52.58663 143.7344 10.00654 139.5469 13.99497 4.187531       17.20436 
1 1 1 15  9  15 o 109.0060 11.57810 190.7845       30.11559 220.0109      38.01262 141.5162       49.35416 124.4854 11.34034 93.52656 20.18927 30.95885       23.15620 
1 1 1 15  9  16 o 93.79987 13.04648 159.9655       29.98350 191.9922      36.99548 98.66039       51.18482 114.6784 11.98075 72.92136 23.17983 41.75700       26.09297 
1 1 1 15  9  17 o 88.11222 12.86864 145.7296       29.59214 176.4079      38.88456 103.5103       45.61604 105.5213 13.68528 70.70310 21.79727 34.81824       25.73728 
1 1 1 15  11 0  o 209.3638 3.353777 589.3962       18.88363 555.2307      26.00325 627.5189       27.46788 202.9590 4.758126 215.7686 4.727740 -12.80959      6.707555 
1 1 1 15  11 1  o 220.3172 3.436562 653.0297       20.35488 634.9007      27.86820 673.7609       29.80120 217.0496 4.768332 223.5847 4.950035 -6.535110      6.873124 
1 1 1 15  11 2  o 319.4537 4.044291 1372.417       34.73928 1440.936      50.80503 1312.249       47.60815 326.9196 5.771416 311.9879 5.667091 14.93173       8.088583 
1 1 1 15  11 3  o 299.4860 3.931599 1209.027       31.70480 1207.318      44.72688 1210.753       44.94867 299.2739 5.550299 299.6981 5.569926 -0.4242249     7.863198 
1 1 1 15  11 4  o 189.6493 3.827106 483.3834       19.51531 459.1542      26.74330 510.9814       28.54206 184.5810 5.380773 194.7176 5.443733 -10.13660      7.654211 
1 1 1 15  11 5  o 503.6554 5.748225 3415.074       77.81009 3297.104      106.1917 3551.843       114.3397 494.3075 7.978291 513.0034 8.277392 -18.69589      11.49645 
1 1 1 15  11 6  o 388.8391 4.756458 2039.140       49.79675 2074.117      70.89188 2005.072       69.96378 392.1315 6.714001 385.5467 6.739271 6.584839       9.512917 
1 1 1 15  11 7  o 136.2448 4.944134 250.2464       18.03089 246.7001      24.14016 254.7217       27.11786 135.1762 6.632184 137.3135 7.334301 -2.137329      9.888268 
1 1 1 15  11 8  o 194.5211 5.675981 510.7712       29.72973 510.7712      29.72973 0.000000       0.000000 194.5211 5.675981 ?        ?        ?              ?        
1 1 1 15  11 9  o 227.8045 4.779708 705.9222       28.85397 729.5097      37.96214 673.6534       44.40177 232.4237 6.065782 223.1852 7.388418 9.238510       9.559416 
1 1 1 15  11 10 o 170.6875 6.676919 399.9811       29.27864 410.1344      36.58746 381.9011       48.82344 173.9806 7.809949 167.3945 10.83188 6.586105       13.35384 
1 1 1 15  11 11 o 44.26637 13.95783 -5.111719      30.64917 -0.4997070    35.75099 -17.90065      59.53329 40.63581 17.63112 47.89692 21.64320 -7.261112      27.91567 
1 1 1 15  11 12 o 255.9853 6.537236 914.0822       42.47638 922.0080      52.22699 898.5961       73.00354 258.9929 7.488999 252.9777 10.71712 6.015121       13.07447 
1 1 1 15  11 13 o 253.0635 5.966757 877.5291       38.30192 868.1859      46.80690 896.4651       66.63562 251.9891 6.898342 254.1378 9.737639 -2.148727      11.93351 
1 1 1 15  11 14 o 46.99797 13.68426 18.13578       28.80599 34.69342      34.50523 -19.94157      52.32618 50.84625 18.89315 43.14969 19.80113 7.696560       27.36852 
1 1 1 15  11 15 o 37.79036 12.52378 -25.74540      28.04569 -34.88416     33.04987 -2.234080      53.01081 30.27088 14.45823 45.30984 20.45335 -15.03897      25.04756 
1 1 1 15  11 16 o 37.15996 11.86039 -10.88242      27.96144 20.72656      34.16517 -75.00316      48.66061 42.58199 17.80588 31.73793 15.67246 10.84406       23.72078 
1 1 1 15  13 0  o 323.1635 4.014767 1407.290       34.92410 1433.423      50.17519 1382.730       48.64082 326.0695 5.714727 320.2576 5.640507 5.811890       8.029534 
1 1 1 15  13 1  o 155.9061 3.359618 327.7742       14.09162 313.0619      19.97440 342.3522       19.88304 152.4172 4.866944 159.3950 4.632600 -6.977768      6.719236 
1 1 1 15  13 2  o 479.8733 5.440757 3106.455       70.29896 3130.850      100.0139 3082.632       98.83215 481.7333 7.710280 478.0133 7.678473 3.720001       10.88151 
1 1 1 15  13 3  o 282.6182 3.935833 1074.903       29.88276 1053.998      40.73007 1099.274       43.97775 279.6550 5.408902 285.5813 5.718995 -5.926300      7.871666 
1 1 1 15  13 4  o 317.3428 4.249406 1355.241       36.19786 1328.922      49.07683 1386.642       53.60542 313.9838 5.804781 320.7018 6.207602 -6.718018      8.498813 
1 1 1 15  13 5  o 228.6830 4.133908 704.0278       24.99232 697.7319      32.33422 713.3713       39.39009 227.4590 5.279294 229.9069 6.362849 -2.447861      8.267817 
1 1 1 15  13 6  o 298.2684 4.414178 1196.915       35.04420 1174.618      45.99369 1227.776       54.10947 295.0253 5.789694 301.5116 6.664781 -6.486298      8.828356 
1 1 1 15  13 7  o 187.4414 5.117504 472.4021       23.98892 467.8551      28.91603 482.4406       42.96404 186.1532 5.768791 188.7297 8.454374 -2.576538      10.23501 
1 1 1 15  13 8  o 133.1768 7.226452 252.4817       23.20650 269.3936      27.83981 213.9732       42.00955 141.1264 7.326129 125.2272 12.45850 15.89916       14.45290 
1 1 1 15  13 9  o 100.2413 11.18335 136.3577       24.86836 132.3813      28.31879 149.7578       51.98552 98.58215 10.66825 101.9005 19.65854 -3.318352      22.36670 
1 1 1 15  13 10 o 170.9174 8.693837 398.5426       40.01117 398.5426      40.01117 0.000000       0.000000 170.9174 8.693837 ?        ?        ?              ?        
1 1 1 15  13 11 o 185.5435 9.090670 522.9200       38.59723 560.3891      45.29502 423.5783       73.75300 201.5037 8.348031 169.5833 16.15152 31.92046       18.18134 
1 1 1 15  13 12 o 231.7510 6.855247 742.5403       38.22892 739.6781      44.95566 750.0159       72.65285 232.4776 7.181578 231.0244 11.67915 1.453125       13.71049 
1 1 1 15  13 13 o 467.6039 6.630522 3026.496       81.89713 3000.125      105.8796 3065.773       129.2151 466.3883 8.431038 468.8194 10.23586 -2.431030      13.26104 
1 1 1 15  13 14 o 311.2385 6.362484 1346.552       49.67585 1330.002      60.11356 1382.191       88.21349 310.3900 7.192526 312.0871 10.49726 -1.697144      12.72497 
1 1 1 15  13 15 o 55.33044 15.38165 46.64497       29.43948 38.13405      33.58621 74.86860       61.16167 49.12335 18.56048 61.53754 24.53344 -12.41419      30.76331 
1 1 1 15  13 16 f 48.52311 13.30286 40.55172       26.82879 65.44187      36.89482 12.62169       39.08294 57.04147 19.73064 40.00475 17.84841 17.03672       26.60571 
1 1 1 15  15 0  o 668.6282 10.60802 6065.160       190.9653 6073.437      272.1732 6057.134       268.0066 669.0413 15.10807 668.2151 14.89518 0.8261719      21.21604 
1 1 1 15  15 1  o 215.7426 5.355154 591.8964       23.21169 574.9878      25.26839 683.2626       58.73771 206.5827 4.542557 224.9026 9.699271 -18.31996      10.71031 
1 1 1 15  15 2  o 285.7258 5.499489 1099.264       36.28950 1097.099      41.69203 1106.034       73.71221 285.3076 5.426957 286.1440 9.566904 -0.8364258     10.99898 
1 1 1 15  15 3  o 257.1104 5.346793 900.0667       31.68181 906.8516      36.45282 879.1163       64.05485 259.3283 5.220327 254.8925 9.332790 4.435822       10.69359 
1 1 1 15  15 4  o 534.6563 7.624342 3878.840       102.0923 3880.298      123.5411 3875.699       181.3013 535.5627 8.566780 533.7499 12.61478 1.812866       15.24868 
1 1 1 15  15 5  f 215.8447 5.906785 641.7092       27.06871 648.7904      30.21819 612.9519       60.89600 219.2887 5.117628 212.4006 10.64755 6.888184       11.81357 
1 1 1 15  15 6  o 347.0729 6.173697 1642.030       51.38831 1654.365      60.39519 1609.677       97.81171 349.9488 6.409357 344.1971 10.55359 5.751678       12.34739 
1 1 1 15  15 7  o 340.2340 6.890783 1528.292       52.50281 1493.049      59.24469 1657.245       113.3242 332.2559 6.622065 348.2122 12.08635 -15.95636      13.78157 
1 1 1 15  15 8  o 205.9133 7.973679 566.5482       32.74681 560.5785      35.75154 597.6508       81.60566 203.5717 6.522200 208.2549 14.55263 -4.683258      15.94736 
1 1 1 15  15 9  o 138.1894 14.45510 276.1050       36.35865 279.7253      39.47401 255.8470       93.37640 143.6772 10.20328 132.7016 27.04983 10.97557       28.91021 
1 1 1 15  15 10 o 81.07039 15.39180 112.5464       29.83705 117.3506      32.43369 86.09585       76.10352 90.28504 13.34127 71.85574 27.74240 18.42931       30.78361 
1 1 1 15  15 11 o 57.47437 16.09511 27.21646       28.15841 17.69548      30.60548 79.71437       71.86699 43.34819 17.33053 71.60054 27.12678 -28.25235      32.19021 
1 1 1 15  15 12 o 63.73215 15.56966 47.54081       27.42755 33.32090      30.63028 105.0702       61.60948 49.36579 17.88983 78.09851 25.48746 -28.73272      31.13931 
1 1 1 15  15 13 o 171.8600 8.430672 436.3489       33.58043 448.6318      39.14175 402.1013       65.35873 179.6316 8.092340 164.0884 14.79253 15.54321       16.86134 
1 1 1 15  15 14 o 54.14490 14.76776 35.72565       28.04294 15.61854      32.67973 91.88587       54.61576 40.94257 17.28381 67.34722 23.95030 -26.40465      29.53552 
1 1 1 15  15 15 o 87.60295 11.31033 136.2088       25.18631 183.4698      34.96611 85.24648       36.30951 109.0432 11.90873 66.16271 19.23217 42.88049       22.62066 
1 1 1 15  17 0  o 383.0231 7.227612 1985.038       74.51932 1949.304      103.8201 2023.012       107.0255 379.4817 10.16031 386.5646 10.28210 -7.082947      14.45522 
1 1 1 15  17 1  o 346.5380 6.950648 1625.996       64.84592 1593.094      90.70569 1660.391       92.74009 342.9551 9.822314 350.1208 9.837081 -7.165649      13.90130 
1 1 1 15  17 2  o 462.4766 6.992798 2781.506       77.04379 2654.916      89.09251 3156.883       153.4179 443.1689 7.466009 481.7844 11.82606 -38.61551      13.98560 
1 1 1 15  17 3  o 383.7775 5.887833 2044.710       49.95165 2084.647      56.67020 1905.600       105.7655 393.0312 5.354814 374.5238 10.48772 18.50735       11.77567 
1 1 1 15  17 4  o 204.0027 6.410762 592.8015       26.53428 609.0735      29.37383 520.6351       61.85941 212.4650 5.134399 195.5404 11.74859 16.92459       12.82152 
1 1 1 15  17 5  o 405.8702 6.801180 2242.234       66.96492 2247.246      79.17521 2229.640       125.5130 407.4867 7.215932 404.2536 11.53059 3.233063       13.60236 
1 1 1 15  17 6  o 148.5364 9.350347 307.8690       18.92673 308.8097      19.63868 295.5959       70.93528 151.2731 4.821334 145.7998 18.06850 5.473312       18.70069 
1 1 1 15  17 7  o 259.7645 7.814530 941.3452       42.38482 945.9266      47.06553 921.6879       97.49146 263.7309 6.627635 255.7980 14.15422 7.932907       15.62906 
1 1 1 15  17 8  o 163.3281 12.51890 430.5403       36.40048 456.7589      39.68609 291.5773       91.36568 183.5815 8.028344 143.0747 23.71575 40.50685       25.03780 
1 1 1 15  17 9  o 108.9950 14.06862 156.5586       27.09806 149.6446      28.86834 207.8018       78.59138 104.1677 10.29213 113.8224 26.18733 -9.654625      28.13724 
1 1 1 15  17 10 o 103.2231 14.94833 176.4294       29.29180 181.5736      31.75309 147.0532       75.87976 114.2971 10.31733 92.14899 28.05998 22.14814       29.89665 
1 1 1 15  17 11 o 78.55481 14.46401 116.1921       28.70881 127.7018      31.14721 51.19653       74.01640 94.44038 12.24836 62.66923 26.20702 31.77115       28.92801 
1 1 1 15  17 12 o 44.64351 14.21569 6.946266       28.25061 8.420601      30.82388 -0.7941923     70.62730 38.96360 16.62996 50.32342 23.06052 -11.35982      28.43138 
1 1 1 15  17 13 o 142.2749 12.85100 352.3606       32.67846 361.6306      35.90865 307.6786       78.83604 159.5945 8.355987 124.9554 24.30576 34.63918       25.70199 
1 1 1 15  17 14 o 72.26135 15.42902 107.6670       28.99612 103.3800      31.74886 129.2224       71.19179 77.55373 15.74122 66.96899 26.54114 10.58474       30.85803 
1 1 1 15  19 0  o 72.21640 15.73726 73.38635       34.67820 94.21214      47.00972 48.52411       51.36379 80.68964 21.31741 63.74316 23.15627 16.94647       31.47451 
1 1 1 15  19 1  o 65.30075 16.40430 50.35730       37.59266 75.54279      52.44714 23.74611       53.91119 73.61200 23.47078 56.98950 22.92437 16.62250       32.80859 
1 1 1 15  19 2  o 292.6890 8.063277 1167.300       63.47713 1184.240      88.11040 1149.020       91.52753 294.9871 11.09279 290.3909 11.70538 4.596252       16.12655 
1 1 1 15  19 3  o 140.2503 14.05276 277.5723       52.61254 292.2885      71.24034 259.9156       78.03355 144.8009 18.27138 135.6997 21.35596 9.101242       28.10552 
1 1 1 15  19 4  o 435.0063 7.239311 2563.118       75.50385 2547.376      88.44322 2605.422       144.9857 433.6496 7.574295 436.3631 12.33939 -2.713501      14.47862 
1 1 1 15  19 5  o 266.2892 7.801178 957.2978       39.77663 951.2893      43.07668 992.0665       103.6227 265.1153 6.034260 267.4632 14.38823 -2.347870      15.60236 
1 1 1 15  19 6  f 70.35609 29.15253 -176.8628      26.26195 -195.8279     27.44565 28.88349       90.39857 ?        ?        70.35609 29.15253 ?              ?        
1 1 1 15  19 7  o 80.99295 13.84525 120.2958       16.45773 124.0964      16.87097 45.55093       74.81720 95.57390 6.555673 66.41199 26.90329 29.16190       27.69050 
1 1 1 15  19 8  o 147.8466 9.956293 304.4979       18.68747 303.3751      19.27848 321.9731       76.05478 149.5623 4.787045 146.1310 19.32861 3.431244       19.91259 
1 1 1 15  19 9  o 116.3230 11.60619 174.7025       17.91995 170.3999      18.53434 236.3920       70.18072 111.7335 6.160420 120.9126 22.38000 -9.179062      23.21239 
1 1 1 15  19 10 o 50.04041 13.18321 36.00435       18.76281 40.07539      19.50941 -14.15247      68.47884 51.37126 13.80720 48.70956 22.46219 2.661697       26.36643 
1 1 1 15  19 11 o 52.00662 13.79823 39.68051       19.81323 40.52983      20.78746 31.25134       65.48764 50.69470 14.49841 53.31855 23.48106 -2.623844      27.59645 
1 1 1 15  19 12 f 87.06049 12.59591 182.7569       22.58043 198.3531      24.06861 68.20966       65.22787 118.2345 7.560032 55.88651 24.03068 62.34795       25.19181 
1 1 1 15  21 0  o 290.8975 8.561295 1144.515       66.55205 1063.350      87.81056 1254.064       102.0166 279.0568 11.68613 302.7382 12.51469 -23.68146      17.12259 
1 1 1 15  21 1  o 157.4849 13.61362 348.7737       57.71815 340.6519      80.74702 357.2589       82.53390 155.6042 19.27178 159.3656 19.23332 -3.761444      27.22723 
1 1 1 15  21 2  o 47.76308 16.05167 -74.88458      56.67603 -45.09501     74.75525 -115.1549      86.91644 49.42528 23.02388 46.10088 22.37242 3.324398       32.10333 
1 1 1 15  21 3  o 288.3608 10.67599 1129.193       82.68145 1034.280      112.6521 1240.026       121.7337 275.2648 15.19866 301.4569 14.99692 -26.19208      21.35198 
1 1 1 15  21 4  o 245.4993 10.46014 899.7300       68.80789 887.4338      92.71400 914.8069       102.6629 244.8069 14.06495 246.1917 15.48662 -1.384781      20.92028 
1 1 1 15  21 5  o 269.3048 6.920784 963.2710       37.17069 945.4747      40.52645 1057.576       93.29143 263.9001 5.703161 274.7096 12.61202 -10.80951      13.84157 
1 1 1 15  21 6  o 58.29201 14.89572 18.25099       13.68716 14.38969      13.95488 115.9997       70.21259 33.99970 12.10477 82.58432 27.22139 -48.58462      29.79143 
1 1 1 15  21 7  o 34.40470 12.19134 -17.75117      14.40408 -17.33408     14.73100 -26.83641      68.75212 20.56980 9.776244 48.23960 22.33697 -27.66980      24.38268 
1 1 1 15  21 8  o 138.0405 10.18418 296.8853       18.61862 299.9405      19.35859 259.1986       67.99099 148.4523 4.842877 127.6287 19.78425 20.82355       20.36836 
1 1 1 15  21 9  o 40.60401 13.30564 3.908399       17.06789 3.485597      17.57932 10.85931       71.27786 29.72455 12.61931 51.48346 23.42890 -21.75891      26.61128 
1 1 1 15  21 10 o 38.10989 12.54726 4.029356       17.40940 3.953675      18.05548 5.030430       65.66709 29.69048 12.70134 46.52929 21.64281 -16.83882      25.09452 
1 1 1 15  21 11 o 112.0558 13.90969 241.1587       21.19101 243.5840      22.17919 215.7469       71.79343 131.8622 6.246576 92.24950 27.10901 39.61267       27.81939 
1 1 1 15  23 0  o 189.3708 12.63099 509.1688       63.76055 447.0139      83.35981 596.8016       98.98116 175.9059 17.59920 202.8356 18.12278 -26.92979      25.26197 
1 1 1 15  23 1  o 100.4682 19.61333 165.0011       56.25537 118.5451      77.22279 217.5321       82.11680 85.32034 28.56373 115.6161 26.88576 -30.29573      39.22666 
1 1 1 15  23 2  o 259.6627 9.159961 947.6015       63.93509 881.8386      87.69225 1022.227       93.41453 250.0116 13.02620 269.3137 12.88168 -19.30208      18.31992 
1 1 1 15  23 3  o 89.60617 18.38579 137.6396       48.00632 163.1991      65.57805 108.1265       70.46777 99.22987 24.65296 79.98248 27.28333 19.24738       36.77157 
1 1 1 15  23 4  o 142.2842 13.56508 305.3018       51.66076 319.8230      70.72831 288.6949       75.63718 146.8959 17.88134 137.6725 20.40350 9.223404       27.13015 
1 1 1 15  23 5  o 159.3226 9.007789 411.7154       17.30714 418.7370      17.90125 311.1661       67.74151 175.8196 3.781226 142.8257 17.61429 32.99393       18.01558 
1 1 1 15  23 6  f 168.5816 8.539117 433.0708       19.14450 437.2126      19.89444 381.2211       70.39022 179.4422 4.117407 157.7209 16.57447 21.72127       17.07823 
1 1 1 15  23 7  o 72.61080 13.90122 81.72266       17.91231 80.16790      18.59276 101.8053       66.82254 75.16045 9.186942 70.06115 26.24073 5.099304       27.80244 
1 1 1 15  23 8  o 38.57334 12.46796 7.655274       19.78163 9.505929      20.79338 -9.985496      64.19794 33.35740 13.91486 43.78928 20.69243 -10.43188      24.93591 
1 1 1 15  23 9  f 79.80605 14.27070 125.4089       20.91950 124.5343      21.75049 136.2024       76.41204 92.58894 8.724217 67.02317 27.17535 25.56577       28.54140 
1 1 1 15  25 0  o 84.80859 19.35098 120.6897       50.58316 151.8191      75.87061 95.78133       67.86739 93.30827 27.97936 76.30891 26.73944 16.99936       38.70197 
1 1 1 15  25 1  o 127.2083 14.08520 253.2313       48.17926 259.6693      67.17229 246.4101       69.14191 129.4399 19.27252 124.9767 20.54608 4.463226       28.17039 
1 1 1 15  25 2  o 197.0383 9.924575 570.8413       52.42319 613.9567      73.13952 525.2894       75.17767 205.6322 13.20923 188.4445 14.81570 17.18773       19.84915 
1 1 1 15  25 3  o 78.14764 18.85191 116.3480       48.21037 88.30070      65.20284 150.1742       71.60558 69.16100 25.91739 87.13429 27.38369 -17.97329      37.70382 
1 1 1 15  25 4  o 82.91743 18.79141 143.3334       47.85940 155.1840      66.03410 130.2203       69.46283 87.56596 26.06770 78.26891 27.07292 9.297050       37.58281 
1 1 1 15  25 5  o 45.31475 13.83210 15.34739       11.07313 14.09246      11.20060 69.54139       73.60502 31.68467 10.87627 58.94484 25.43648 -27.26017      27.66420 
1 1 1 15  25 6  o 35.07280 11.86550 3.078674       14.62288 4.073126      14.92941 -20.39513      72.53415 27.34235 11.61935 42.80324 20.69181 -15.46088      23.73100 
1 1 1 15  27 0  o 65.59121 7.686249 70.99708       11.89572 39.07096      18.97366 91.67429       15.26948 49.96213 13.69548 81.22029 6.981942 -31.25816      15.37250 
1 1 1 15  27 1  o 67.93330 11.83459 99.72226       15.28757 104.0933      15.67934 15.52025       68.81741 86.44320 6.736179 49.42340 22.69040 37.01980       23.66919 
1 1 1 15  27 2  o 53.54068 16.76886 53.41985       49.10052 80.52232      67.60776 23.16898       71.42676 58.46926 24.78086 48.61210 22.59841 9.857162       33.53773 
1 1 1 15  27 3  o 71.75505 16.99353 108.3416       53.48428 255.6163      76.15691 -34.98789      75.12995 101.8899 27.23509 41.62019 20.33153 60.26971       33.98707 
1 1 1 16  0  0  o 605.2178 9.362159 4960.850       152.3847 5004.956      217.6745 4918.460       213.3981 607.8386 13.31393 602.5969 13.16584 -0.000000      0.000000 
1 1 1 16  0  1  o 67.39320 11.69920 75.76095       18.44042 103.7802      25.80677 46.52879       26.35941 85.22202 11.91241 49.56439 20.13900 -0.000000      0.000000 
1 1 1 16  0  2  o 679.1047 10.49013 6259.314       191.5867 6186.166      268.0830 6335.671       273.8995 675.0716 14.76404 683.1379 14.90619 -0.000000      0.000000 
1 1 1 16  0  3  o 80.53661 10.44874 97.51612       19.77737 116.8014      27.81654 77.80098       28.12486 90.70229 11.96929 70.37093 17.13013 -0.000000      0.000000 
1 1 1 16  0  4  o 71.90474 12.02049 81.57875       20.11830 95.07613      28.25692 67.70294       28.65030 80.25954 14.47346 63.54995 19.19603 -0.000000      0.000000 
1 1 1 16  0  5  o 493.0385 7.911925 3279.922       104.7625 3172.188      143.5295 3402.763       153.2622 484.4089 11.01674 501.6682 11.35895 -0.000000      0.000000 
1 1 1 16  0  6  o 410.7767 6.945565 2279.477       76.71603 2290.479      109.4304 2268.844       107.5790 411.7442 9.883087 409.8092 9.761562 -0.000000      0.000000 
1 1 1 16  0  7  f 34.70613 13.64032 15.12870       21.41838 39.13380      30.23385 -9.056104      30.34681 44.29182 21.56333 25.12045 16.71097 -0.000000      0.000000 
1 1 1 16  0  8  o 76.91749 12.77337 96.31392       22.68827 60.80501      32.03711 132.0407       32.13524 57.50186 21.95226 96.33311 13.06654 -0.000000      0.000000 
1 1 1 16  0  9  o 252.7560 6.101638 864.7627       41.40679 840.7442      57.86329 889.9705       59.27844 249.1449 8.648802 256.3671 8.609191 -0.000000      0.000000 
1 1 1 16  0  10 o 148.2523 7.546640 302.1143       29.73756 294.0325      42.57437 309.8135       41.55468 146.2062 10.95575 150.2984 10.38165 -0.000000      0.000000 
1 1 1 16  0  11 o 48.02894 17.76820 44.80603       31.14208 29.37352      43.38260 61.21312       44.73146 41.22862 23.90988 54.82926 26.28979 -0.000000      0.000000 
1 1 1 16  0  12 o 40.25324 16.47889 20.84231       32.38169 -14.76518     48.45573 49.57676       43.52873 31.29580 20.91169 49.21068 25.47384 -0.000000      0.000000 
1 1 1 16  0  13 o 117.5820 17.54521 212.8309       48.38195 205.0377      72.73383 219.0160       64.79675 113.8577 27.35554 121.3063 21.97754 -0.000000      0.000000 
1 1 1 16  0  14 o 44.13406 18.58604 28.70868       39.80137 57.86398      59.46101 5.041132       53.57351 51.96677 28.84062 36.30133 23.45171 -0.000000      0.000000 
1 1 1 16  0  15 o 321.5419 7.651391 1420.011       65.99077 1462.473      96.29429 1382.410       90.61455 325.9686 10.99926 317.1152 10.63914 -0.000000      0.000000 
1 1 1 16  0  16 o 130.6623 12.71638 261.7869       40.32126 242.3042      63.94232 274.6482       51.95250 123.9423 20.95888 137.3824 14.40663 -0.000000      0.000000 
1 1 1 16  0  17 o 106.1994 16.72424 211.9018       39.33704 135.6361      59.30565 271.8146       52.56437 77.88146 29.90241 134.5173 14.98822 -0.000000      0.000000 
1 1 1 16  2  0  o 520.4097 5.764606 3659.787       80.77890 3658.399      114.1550 3661.179       114.3224 520.3119 8.147938 520.5074 8.156827 -0.1954956     11.52921 
1 1 1 16  2  1  o 426.4439 4.883341 2456.129       56.07270 2440.063      78.95759 2472.475       79.64441 425.0385 6.898937 427.8493 6.913231 -2.810822      9.766683 
1 1 1 16  2  2  o 189.8820 3.573514 485.6451       18.25927 468.4802      25.28430 504.3535       26.39663 186.3809 5.038094 193.3832 5.069281 -7.002304      7.147027 
1 1 1 16  2  3  f 290.1896 3.889207 1135.086       30.38181 1117.143      42.38179 1154.054       43.57582 287.8340 5.468319 292.5452 5.531835 -4.711212      7.778413 
1 1 1 16  2  4  o 409.2106 4.798323 2259.081       52.87080 2253.134      74.58054 2265.089       74.96213 408.6703 6.777493 409.7510 6.794203 -1.080719      9.596645 
1 1 1 16  2  5  o 190.9014 3.814692 490.4173       19.57467 477.9164      26.76960 504.7823       28.69623 188.2964 5.279787 193.5065 5.507391 -5.210068      7.629385 
1 1 1 16  2  6  o 446.9300 5.191966 2694.417       62.48168 2690.040      88.20007 2698.826       88.52569 446.5665 7.334988 447.2935 7.350101 -0.7269897     10.38393 
1 1 1 16  2  7  o 48.80177 10.21602 32.10266       15.07477 18.05172      21.63214 45.36834       21.01897 40.86517 14.99974 56.73838 13.87356 -15.87321      20.43203 
1 1 1 16  2  8  o 163.3136 4.439216 360.2584       19.48932 345.3197      27.97836 374.3400       27.16381 160.0100 6.493694 166.6173 6.054626 -6.607285      8.878431 
1 1 1 16  2  9  o 417.2089 5.036315 2351.444       56.57825 2347.199      79.99861 2355.691       80.02884 416.8312 7.127526 417.5866 7.117321 -0.7553711     10.07263 
1 1 1 16  2  10 o 118.3722 6.395446 190.1952       20.33168 173.7328      28.64952 206.8984       28.85829 113.1725 9.401413 123.5718 8.672966 -10.39937      12.79089 
1 1 1 16  2  11 o 250.5710 4.690136 849.0099       31.64411 842.3516      44.66854 855.7177       44.83497 249.5825 6.646672 251.5595 6.619007 -1.976944      9.380272 
1 1 1 16  2  12 o 172.5718 5.777909 404.7557       26.84238 416.8914      38.36772 393.1215       37.56666 175.1115 8.137071 170.0322 8.205181 5.079300       11.55582 
1 1 1 16  2  13 o 96.24675 13.41879 132.1529       33.87682 153.4177      46.68512 108.5021       49.23458 105.7568 16.39407 86.73668 21.24830 19.02014       26.83758 
1 1 1 16  2  14 o 82.88203 12.68558 103.7807       27.44213 102.0794      37.55756 105.7294       40.19459 82.34743 17.47874 83.41663 18.38994 -1.069206      25.37117 
1 1 1 16  2  15 o 137.9835 7.922789 267.9744       29.26897 280.8624      40.00597 253.1307       42.93414 141.9139 10.46928 134.0531 11.89439 7.860718       15.84558 
1 1 1 16  2  16 f 75.72435 12.96836 92.32462       26.38278 73.30536      35.99591 114.4013       38.78139 66.67495 19.08201 84.77376 17.56672 -18.09881      25.93671 
1 1 1 16  2  17 o 58.69554 13.83970 61.57572       27.09906 37.32354      38.40014 85.63617       38.24805 48.88522 19.45516 68.50587 19.68873 -19.62065      27.67941 
1 1 1 16  4  0  f 93.65396 5.020992 118.4656       12.66065 119.1677      18.05319 117.7861       17.76014 93.92539 7.138181 93.38253 7.063131 0.5428619      10.04198 
1 1 1 16  4  1  o 157.3959 3.598395 334.0672       15.24766 342.5518      21.61628 325.6650       21.51099 159.3876 5.036666 155.4043 5.140602 3.983261       7.196791 
1 1 1 16  4  2  o 202.2107 3.501258 550.7191       19.05087 569.2081      27.57249 533.8295       26.35288 205.4523 4.984042 198.9691 4.918797 6.483124       7.002517 
1 1 1 16  4  3  o 73.60225 6.806534 73.57200       13.42194 65.56112      19.07692 81.42458       18.88747 69.59837 10.17948 77.60612 9.038462 -8.007744      13.61307 
1 1 1 16  4  4  o 112.2518 4.936577 170.1764       14.90000 160.1140      21.10854 180.1691       21.03521 108.9338 7.196343 115.5698 6.759573 -6.635918      9.873154 
1 1 1 16  4  5  o 165.3151 4.004616 368.4109       17.82566 365.6048      25.10207 371.2654       25.31790 164.6802 5.660889 165.9500 5.665876 -1.269760      8.009233 
1 1 1 16  4  6  o 254.6194 3.881496 873.6313       26.60960 865.0626      37.33946 882.4736       37.93081 253.3517 5.473445 255.8871 5.505039 -2.535370      7.762993 
1 1 1 16  4  7  o 337.1781 4.377946 1532.672       39.72629 1530.147      55.25794 1535.373       57.15289 336.8982 6.091338 337.4580 6.289773 -0.5598755     8.755892 
1 1 1 16  4  8  o 333.6128 4.419944 1501.480       39.70029 1477.675      55.64989 1526.150       56.65294 330.9214 6.245339 336.3042 6.256145 -5.382782      8.839888 
1 1 1 16  4  9  o 289.5641 4.247545 1131.805       33.10986 1127.388      46.26855 1136.440       47.40079 288.9931 5.945866 290.1351 6.067389 -1.142059      8.495090 
1 1 1 16  4  10 o 410.8445 5.092838 2282.422       56.33978 2298.835      79.84865 2266.150       79.50541 412.3179 7.192038 409.3712 7.212669 2.946716       10.18568 
1 1 1 16  4  11 o 234.6238 5.067966 744.7964       31.99962 734.6882      44.39616 755.7259       46.16420 232.9838 7.076790 236.2639 7.256455 -3.280136      10.13593 
1 1 1 16  4  12 o 157.5329 6.877268 349.7593       29.14310 365.5403      41.10186 333.8040       41.32822 161.2937 9.463696 153.7721 9.981267 7.521530       13.75454 
1 1 1 16  4  13 o 217.7540 6.235135 648.8792       36.53804 677.5055      52.65414 622.2922       50.74397 222.3916 8.792870 213.1164 8.842686 9.275269       12.47027 
1 1 1 16  4  14 o 60.20173 14.06476 52.38952       27.80083 77.30309      39.84244 28.74981       38.81049 70.11493 20.07854 50.28852 19.70083 19.82641       28.12953 
1 1 1 16  4  15 o 43.72370 13.03673 9.855169       26.56111 -2.529462     36.71933 23.44734       38.46782 39.62186 17.50896 47.82554 19.31999 -8.203686      26.07346 
1 1 1 16  4  16 o 100.8931 10.47663 153.6550       28.38826 157.2049      39.15445 149.7208       41.21920 102.5801 14.17538 99.20623 15.43040 3.373833       20.95325 
1 1 1 16  4  17 o 79.64152 12.97937 111.2564       27.19464 96.96264      36.35838 129.4076       40.97166 73.62076 18.39368 85.66228 18.31744 -12.04152      25.95874 
1 1 1 16  6  0  o 370.8433 4.407940 1855.862       44.01520 1847.516      62.03489 1864.324       62.46108 370.0046 6.226521 371.6819 6.241007 -1.677277      8.815880 
1 1 1 16  6  1  o 239.5242 3.532769 773.7198       22.78363 773.7485      32.04924 773.6906       32.39539 239.5309 4.969044 239.5175 5.022992 0.1332092E-01  7.065539 
1 1 1 16  6  2  o 214.6120 3.549048 620.8682       20.50799 623.5638      29.18879 618.2401       28.82008 215.0709 5.040237 214.1532 4.997897 0.9177246      7.098096 
1 1 1 16  6  3  o 462.5958 5.275784 2887.919       65.71177 2871.391      92.30074 2904.906       93.57326 461.2582 7.431521 463.9334 7.490533 -2.675171      10.55157 
1 1 1 16  6  4  o 311.5891 4.103571 1308.985       34.42904 1313.250      48.79589 1304.757       48.58482 312.0943 5.806496 311.0840 5.800154 1.010284       8.207142 
1 1 1 16  6  5  o 95.83929 5.804101 124.0057       14.95677 132.6458      21.28308 115.5751       21.02344 99.14534 7.972210 92.53326 8.437669 6.612083       11.60820 
1 1 1 16  6  6  o 319.8553 4.268570 1377.889       36.72251 1354.201      50.57105 1404.314       53.41229 316.9570 5.925407 322.7535 6.145919 -5.796448      8.537141 
1 1 1 16  6  7  o 258.8940 4.114480 903.2186       28.65935 895.6492      39.66256 911.4887       41.45792 257.7653 5.714430 260.0228 5.921241 -2.257507      8.228961 
1 1 1 16  6  8  o 112.1499 5.942475 170.3712       17.91408 176.9649      24.94505 163.3493       25.74243 114.4121 8.097091 109.8878 8.699952 4.524345       11.88495 
1 1 1 16  6  9  o 242.4801 4.174646 794.4481       27.23641 816.8929      38.16351 771.1492       38.88276 245.9896 5.761666 238.9707 6.042673 7.018921       8.349293 
1 1 1 16  6  10 o 138.8460 6.081220 261.7228       22.63822 267.7288      30.83503 254.7005       33.34233 140.6223 8.143421 137.0698 9.033806 3.552460       12.16244 
1 1 1 16  6  11 o 206.8989 5.149599 579.4241       28.68841 578.1039      40.42591 580.7635       40.71873 206.6642 7.264590 207.1336 7.300630 -0.4693451     10.29920 
1 1 1 16  6  12 f 64.63829 15.78999 53.40942       33.28325 56.85991      43.92830 48.75891       50.99825 65.27075 21.53235 64.00583 23.10093 1.264923       31.57998 
1 1 1 16  6  13 o 208.9915 6.422853 599.7789       35.66011 598.7424      46.77260 601.2177       55.10851 209.1163 8.306543 208.8666 9.798649 0.2496185      12.84571 
1 1 1 16  6  14 o 171.4543 7.030329 409.1412       32.11338 417.3649      42.72025 398.4567       48.69426 173.8420 9.126319 169.0666 10.69637 4.775406       14.06066 
1 1 1 16  6  15 o 66.21648 13.70520 72.63592       27.73974 96.10828      36.79595 41.73191       42.22105 77.96535 17.90482 54.46761 20.75445 23.49774       27.41039 
1 1 1 16  6  16 o 54.96180 14.27418 49.95763       27.75520 53.84747      36.57635 44.67717       42.61574 56.53368 19.64017 53.38992 20.71890 3.143757       28.54836 
1 1 1 16  6  17 o 71.58308 12.57857 100.4493       26.89657 131.9582      35.23634 56.45969       41.63416 89.96299 14.54600 53.20316 20.52548 36.75983       25.15714 
1 1 1 16  8  0  o 101.4430 4.642194 139.5889       12.61189 130.4996      18.43015 147.5936       17.29566 98.30551 6.962538 104.5806 6.141899 -6.275063      9.284388 
1 1 1 16  8  1  o 429.4430 4.951817 2489.039       57.25854 2507.540      81.36241 2470.885       80.59467 431.0228 7.010358 427.8632 6.995488 3.159607       9.903634 
1 1 1 16  8  2  o 440.0233 5.069499 2612.621       60.06534 2613.937      84.99642 2611.309       84.89410 440.1336 7.171875 439.9130 7.166834 0.2205811      10.13900 
1 1 1 16  8  3  o 219.5020 3.724511 647.5212       21.97945 613.9149      30.08843 685.9731       32.18460 213.4149 5.235900 225.5891 5.298423 -12.17421      7.449023 
1 1 1 16  8  4  f 249.2787 3.817306 837.3898       25.62092 825.7465      35.98933 849.3544       36.48260 247.5220 5.399787 251.0355 5.397184 -3.513504      7.634612 
1 1 1 16  8  5  o 208.2221 3.841424 584.3019       21.53139 584.8307      30.83673 583.7988       30.07742 208.3115 5.497583 208.1327 5.366818 0.1787872      7.682848 
1 1 1 16  8  6  o 277.7366 4.089808 1038.928       30.56260 1018.884      42.25515 1060.918       44.25850 274.9341 5.707785 280.5391 5.858952 -5.604950      8.179616 
1 1 1 16  8  7  o 133.5029 4.865853 239.6089       17.43966 227.6223      23.58020 254.0823       25.91106 129.8413 6.744524 137.1646 7.015519 -7.323303      9.731707 
1 1 1 16  8  8  o 295.8823 4.271733 1181.990       34.03347 1180.614      48.10999 1183.369       48.15122 295.7097 6.042078 296.0548 6.040207 -0.3450623     8.543466 
1 1 1 16  8  9  o 141.3015 5.475577 270.5900       20.79862 284.0197      29.12935 256.6229       29.70653 144.9087 7.465399 137.6943 8.012215 7.214401       10.95115 
1 1 1 16  8  10 o 351.7178 5.106542 1674.824       48.32043 1677.718      66.99429 1671.686       69.76044 352.0756 7.066730 351.3601 7.373495 0.7154846      10.21308 
1 1 1 16  8  11 o 89.51493 11.50055 119.1968       26.83645 96.82996      35.00472 151.0863       41.79726 78.52201 17.04489 100.5079 15.44417 -21.98584      23.00110 
1 1 1 16  8  12 o 258.6056 6.171348 912.3010       42.45517 932.7080      56.23018 885.2429       64.74819 262.1831 7.964919 255.0281 9.428797 7.155075       12.34270 
1 1 1 16  8  13 o 316.6357 5.580347 1378.273       47.41954 1413.049      64.99416 1338.693       69.33926 321.1916 7.514960 312.0797 8.251451 9.111938       11.16069 
1 1 1 16  8  14 o 192.0175 6.314289 504.0948       32.02201 481.1218      41.05399 539.7858       51.17116 186.9189 8.156782 197.1161 9.640948 -10.19727      12.62858 
1 1 1 16  8  15 o 149.7832 7.636157 326.8587       29.83044 358.6947      39.07233 282.3709       46.18810 159.9477 9.072102 139.6188 12.28579 20.32893       15.27231 
1 1 1 16  8  16 o 50.59390 14.13771 33.45734       29.21503 8.299080      37.75165 71.01929       46.12855 40.38144 17.80358 60.80637 21.96662 -20.42493      28.27543 
1 1 1 16  10 0  o 253.4229 3.673363 865.8308       25.06371 859.2899      35.62537 872.2412       35.26822 252.4723 5.240374 254.3735 5.149065 -1.901184      7.346726 
1 1 1 16  10 1  o 156.1170 3.670830 328.5917       15.42521 318.0901      21.81422 339.0939       21.81487 153.6187 5.273660 158.6152 5.107689 -4.996490      7.341661 
1 1 1 16  10 2  o 375.8915 4.516399 1905.371       45.70877 1918.959      65.16186 1892.207       64.13432 377.2079 6.415481 374.5750 6.358698 2.632904       9.032798 
1 1 1 16  10 3  o 191.9808 3.652563 496.4445       18.87273 504.0962      27.18694 489.3276       26.21948 193.4059 5.220439 190.5556 5.109978 2.850311       7.305126 
1 1 1 16  10 4  o 225.4389 3.823816 683.7909       23.19126 648.2094      32.09355 722.6743       33.54966 219.3105 5.434692 231.5674 5.380558 -12.25690      7.647633 
1 1 1 16  10 5  o 450.4256 5.252202 2736.961       63.70115 2742.323      90.16995 2731.620       90.00434 450.8660 7.427300 449.9852 7.428170 0.8807983      10.50440 
1 1 1 16  10 6  o 241.6622 4.017164 786.3724       26.11327 821.1241      37.99959 755.2764       35.94545 246.7083 5.720207 236.6162 5.641778 10.09213       8.034328 
1 1 1 16  10 7  f 483.6151 5.614701 3163.956       73.11514 3172.561      103.3242 3155.326       103.4769 484.2785 7.923614 482.9516 7.957125 1.326904       11.22940 
1 1 1 16  10 8  o 294.4736 4.440136 1171.360       35.19822 1170.517      49.23090 1172.242       50.34334 294.3758 6.210869 294.5714 6.346994 -0.1956177     8.880272 
1 1 1 16  10 9  o 44.52560 11.91837 13.55547       22.18991 38.88641      29.21553 -20.98023      34.11318 53.72238 17.55224 35.32883 16.12790 18.39355       23.83674 
1 1 1 16  10 10 o 278.5482 5.117389 1053.980       38.28240 1077.523      52.63600 1027.541       55.77964 281.9402 6.933339 275.1563 7.528578 6.783966       10.23478 
1 1 1 16  10 11 o 144.1098 9.581897 278.3148       36.41142 262.2449      46.41578 304.0261       58.71135 138.9147 12.40892 149.3049 14.60376 -10.39020      19.16379 
1 1 1 16  10 12 o 124.8174 8.483785 216.7472       27.06064 217.9063      33.47413 214.5611       45.97244 125.9058 9.873703 123.7289 13.79886 2.176941       16.96757 
1 1 1 16  10 13 o 218.4487 6.203144 652.7977       35.13355 641.1265      43.94650 673.4694       58.48606 216.3983 7.542009 220.4991 9.850588 -4.100784      12.40629 
1 1 1 16  10 14 o 79.93066 13.65248 108.9478       29.09613 123.0904      35.43309 79.66819       50.98301 91.46669 14.38675 68.39465 23.20738 23.07204       27.30496 
1 1 1 16  10 15 o 82.05453 13.44217 121.5624       28.72439 135.8680      34.79949 90.97675       50.88366 94.97321 13.60781 69.13586 23.18609 25.83735       26.88433 
1 1 1 16  10 16 o 41.83724 12.90926 15.52972       27.34110 -0.9056914    35.74014 38.71878       42.45290 36.07719 16.48448 47.59729 19.87104 -11.52010      25.81852 
1 1 1 16  12 0  o 205.3212 3.473909 568.2529       19.20199 556.2852      27.20105 580.1412       27.11060 203.1634 4.972294 207.4791 4.852676 -4.315674      6.947818 
1 1 1 16  12 1  o 117.6491 4.035095 187.6540       12.69157 175.5716      18.73162 197.9080       17.25620 114.1179 6.095903 121.1802 5.288473 -7.062263      8.070190 
1 1 1 16  12 2  o 320.8928 4.114336 1387.719       35.52903 1381.313      49.34622 1394.614       51.19609 320.1300 5.724587 321.6557 5.911017 -1.525726      8.228671 
1 1 1 16  12 3  o 686.2610 7.512022 6365.660       138.8017 6318.248      194.8126 6414.543       197.8122 683.6767 10.58237 688.8454 10.66468 -5.168701      15.02404 
1 1 1 16  12 4  o 168.1305 3.990059 378.2971       17.98889 351.2513      24.13433 412.1063       26.98376 161.4216 5.552522 174.8395 5.731648 -13.41789      7.980118 
1 1 1 16  12 5  o 502.8528 5.764828 3413.518       77.95831 3324.686      107.0830 3513.693       113.7151 495.9362 8.018836 509.7694 8.284397 -13.83322      11.52966 
1 1 1 16  12 6  f 373.5969 4.716442 1883.140       47.39977 1830.439      65.30252 1941.824       68.90963 368.0959 6.588486 379.0980 6.750641 -11.00214      9.432884 
1 1 1 16  12 7  o 207.9989 4.558451 582.5595       25.36809 568.1288      33.82856 601.1021       38.34647 205.1005 6.125385 210.8974 6.752596 -5.796906      9.116902 
1 1 1 16  12 8  o 282.0385 7.445119 1077.154       56.54098 0.000000      0.000000 1077.154       56.54098 ?        ?        282.0385 7.445119 ?              ?        
1 1 1 16  12 9  o 150.4532 7.339820 311.7365       28.13237 317.1573      34.76527 301.4528       47.88317 152.7336 8.453329 148.1728 12.00138 4.560776       14.67964 
1 1 1 16  12 10 o 232.6156 8.648362 731.7519       54.16967 731.7519      54.16967 0.000000       0.000000 232.6156 8.648362 ?        ?        ?              ?        
1 1 1 16  12 11 o 239.2977 6.451357 776.0752       38.52389 762.0385      46.29107 807.6971       69.47993 236.5802 7.266670 242.0151 10.66187 -5.434906      12.90271 
1 1 1 16  12 12 o 214.7512 6.528103 638.7968       35.29623 641.9282      43.00790 632.3366       61.77463 216.5520 7.375691 212.9504 10.77329 3.601517       13.05621 
1 1 1 16  12 13 o 292.5373 5.798484 1192.854       44.44763 1219.945      57.09945 1151.196       70.80603 297.7897 7.120965 287.2849 9.153225 10.50488       11.59697 
1 1 1 16  12 14 o 49.34756 11.85685 19.11635       28.35228 77.98407      34.27583 -108.4399      50.45456 68.40509 18.26520 30.29003 15.12357 38.11506       23.71371 
1 1 1 16  12 15 o 117.8559 9.802508 227.8932       29.12219 265.3561      37.98741 174.4890       45.35515 133.8030 10.54364 101.9089 16.52841 31.89412       19.60502 
1 1 1 16  14 0  o 515.0746 5.792174 3573.880       80.22585 3694.757      117.1706 3467.201       110.0745 523.2411 8.316365 506.9080 8.064441 16.33316       11.58435 
1 1 1 16  14 1  o 348.9522 4.276180 1641.279       40.17159 1654.901      57.48006 1628.273       56.16518 350.3638 6.092767 347.5406 6.001754 2.823212       8.552361 
1 1 1 16  14 2  o 455.4996 5.259394 2796.273       64.46215 2878.667      93.31607 2721.067       89.15285 461.9023 7.502793 449.0970 7.372448 12.80527       10.51879 
1 1 1 16  14 3  o 184.6067 3.966271 460.8091       19.41225 466.0601      25.40554 453.4424       30.09168 185.9063 5.075172 183.3071 6.096544 2.599213       7.932542 
1 1 1 16  14 4  o 349.6041 4.587464 1650.957       43.16766 1704.978      61.05418 1596.957       61.04240 355.3414 6.380963 343.8668 6.592619 11.47461       9.174929 
1 1 1 16  14 5  o 235.8444 4.444743 753.3318       27.41442 759.8193      34.92498 742.9185       44.24842 237.2656 5.466609 234.4232 7.009933 2.842407       8.889486 
1 1 1 16  14 6  o 328.3575 4.856259 1461.045       42.59533 1488.805      57.07078 1426.135       64.00089 331.9749 6.384474 324.7400 7.319255 7.234955       9.712518 
1 1 1 16  14 7  o 164.3468 6.698617 359.1346       26.56418 349.5232      31.08328 385.1689       51.15725 160.6860 7.183986 168.0076 11.30824 -7.321579      13.39723 
1 1 1 16  14 8  o 125.1717 10.02703 223.3979       27.62572 219.9144      31.14671 236.2447       59.81450 125.6638 9.204890 124.6797 17.81671 0.9841156      20.05405 
1 1 1 16  14 9  o 67.45959 17.65629 44.95343       35.61364 38.39209      39.77266 71.49596       79.99442 56.87354 20.41558 78.04565 28.81290 -21.17211      35.31259 
1 1 1 16  14 10 o 158.1838 9.463320 353.3158       32.30424 355.9490      36.29364 343.2745       70.87305 161.3994 8.351129 154.9682 16.98459 6.431183       18.92664 
1 1 1 16  14 11 o 178.0428 8.130209 455.0892       33.17796 466.5540      38.35643 421.0210       66.11954 184.4949 7.720944 171.5908 14.31042 12.90414       16.26042 
1 1 1 16  14 12 o 73.19170 14.47677 93.83612       28.14922 101.6798      31.73143 64.86149       60.98702 82.12992 14.89705 64.25347 24.82710 17.87645       28.95353 
1 1 1 16  14 13 f 217.7476 7.433548 678.1727       37.62583 677.8522      43.54539 679.1171       74.74503 221.0036 7.317446 214.4916 12.94162 6.511993       14.86710 
1 1 1 16  14 14 o 109.4695 11.72650 205.6005       29.20227 216.6606      34.89694 179.7617       53.33884 120.9995 10.71076 97.93950 20.86439 23.06000       23.45300 
1 1 1 16  16 0  o 397.1587 7.382128 2135.980       78.94505 2123.194      111.5268 2148.822       111.7639 395.9629 10.46023 398.3545 10.41954 -2.391541      14.76426 
1 1 1 16  16 1  o 201.8492 5.637939 550.6700       22.59305 550.6454      24.68875 550.7969       56.03546 202.1061 4.536659 201.5923 10.32299 0.5138092      11.27588 
1 1 1 16  16 2  o 453.6816 7.512511 2782.798       91.77400 2782.798      91.77400 0.000000       0.000000 453.6816 7.512511 ?        ?        ?              ?        
1 1 1 16  16 3  o 90.88963 10.37069 125.2407       16.59865 129.2460      17.95833 101.7548       43.48626 97.78870 6.820150 83.99056 19.58802 13.79813       20.74138 
1 1 1 16  16 4  o 104.3717 10.15567 164.5165       19.07430 170.4358      20.79590 133.1416       47.87805 112.2966 6.877451 96.44678 19.11154 15.84985       20.31134 
1 1 1 16  16 5  o 289.2393 5.864274 1153.264       41.08058 1178.831      48.76943 1090.810       76.22450 295.3199 6.132980 283.1587 9.997268 12.16119       11.72855 
1 1 1 16  16 6  o 319.7577 6.042150 1390.818       47.91120 1396.474      57.56378 1378.066       86.43507 321.3048 6.653478 318.2107 10.08769 3.094116       12.08430 
1 1 1 16  16 7  o 295.9317 7.369133 1215.256       50.68516 1243.159      58.81411 1134.724       99.91704 303.2931 7.201710 288.5703 12.85892 14.72281       14.73827 
1 1 1 16  16 8  o 157.0013 10.44775 356.2940       32.88679 354.2687      36.13468 366.0651       79.36935 159.9836 8.388135 154.0189 19.13795 5.964676       20.89550 
1 1 1 16  16 9  o 112.3143 13.56586 201.1678       27.45728 205.9533      29.82454 174.5617       70.32353 122.1788 9.065557 102.4499 25.57237 19.72890       27.13172 
1 1 1 16  16 10 o 102.5958 14.09224 193.9893       28.68896 213.0867      31.77347 109.7081       66.74878 124.1217 9.506783 81.06997 26.53272 43.05172       28.18447 
1 1 1 16  16 11 o 56.14853 14.76535 40.77295       25.69968 34.03602      29.05394 65.00046       55.09703 48.79361 17.45604 63.50345 23.81908 -14.70985      29.53070 
1 1 1 16  16 12 o 109.8365 11.62475 203.2675       27.10704 218.3762      31.48243 159.9610       53.30061 124.0598 9.424404 95.61328 21.25371 28.44647       23.24951 
1 1 1 16  16 13 o 81.49052 11.89891 124.9582       25.00612 154.2027      31.65845 76.44602       40.77494 100.9906 11.64193 61.99039 20.75575 39.00026       23.79781 
1 1 1 16  18 0  o 54.66641 15.31454 14.08450       35.45011 -18.24570     48.29410 51.85812       52.20164 44.22686 19.77842 65.10596 23.38706 -20.87911      30.62908 
1 1 1 16  18 1  o 186.3749 8.541954 472.8285       42.83546 448.9807      59.48740 498.5098       61.73192 181.4827 12.17324 191.2670 11.98633 -9.784302      17.08391 
1 1 1 16  18 2  o 269.7863 7.981117 989.2239       57.91030 1022.826      84.41831 959.3561       79.58986 274.0664 11.43925 265.5062 11.13268 8.560150       15.96223 
1 1 1 16  18 3  o 103.1821 14.05137 134.8842       17.47774 132.9167      17.92191 173.1081       78.99465 99.12354 6.714660 107.2408 27.28878 -8.117218      28.10274 
1 1 1 16  18 4  o 166.9849 9.674080 423.0186       18.52936 427.7700      19.05442 340.3517       79.47900 178.0912 3.973469 155.8786 18.93575 22.21263       19.34816 
1 1 1 16  18 5  o 454.6689 7.789325 2813.480       84.55966 2810.962      98.94058 2820.303       162.8643 455.5081 8.066683 453.8298 13.32753 1.678223       15.57865 
1 1 1 16  18 6  o 50.52631 16.16535 -40.52057      25.31917 -49.59332     26.37853 65.67928       90.24911 24.49195 11.98181 76.56067 30.02849 -52.06871      32.33070 
1 1 1 16  18 7  o 74.39577 14.49440 88.15203       17.82033 90.34179      18.26606 44.91974       81.16169 81.29287 8.344669 67.49867 27.76180 13.79420       28.98881 
1 1 1 16  18 8  o 120.2880 12.40410 186.3270       24.04144 178.6657      25.31330 256.8701       76.81153 113.9929 8.246837 126.5831 23.39735 -12.59014      24.80819 
1 1 1 16  18 9  o 63.74726 11.48406 86.24329       19.37906 97.77303      19.98642 -94.85658      79.21081 83.91560 8.845227 43.57891 21.19662 40.33669       22.96813 
1 1 1 16  18 10 o 156.1265 10.19153 352.5410       30.54780 348.5231      33.20028 374.7148       77.99419 158.5132 7.778448 153.7398 18.84051 4.773361       20.38305 
1 1 1 16  18 11 o 54.61189 14.59440 51.31712       27.79546 57.88745      30.18935 14.74790       71.22268 58.44801 17.67714 50.77576 23.22723 7.672253       29.18879 
1 1 1 16  18 12 o 118.3206 14.42750 326.7491       31.86600 364.5149      35.43854 167.2600       72.82701 159.1764 8.268253 77.46474 27.64501 81.71165       28.85499 
1 1 1 16  20 0  o 335.5165 8.388401 1539.252       75.72566 1595.114      106.5490 1482.236       107.6439 341.7892 11.57731 329.2439 12.14195 12.54532       16.77680 
1 1 1 16  20 1  o 138.6082 14.81118 276.2785       53.29941 303.7563      72.81035 244.5537       78.23517 147.6786 18.31016 129.5378 23.28566 18.14081       29.62236 
1 1 1 16  20 2  o 113.9328 18.79396 241.8791       59.40138 301.3625      80.30101 169.9926       88.27675 136.0566 21.91886 91.80906 30.53549 44.24754       37.58793 
1 1 1 16  20 3  o 343.5197 10.30542 1606.126       95.16904 1564.077      130.2809 1654.238       139.3556 338.7922 14.28118 348.2473 14.86118 -9.455078      20.61084 
1 1 1 16  20 4  o 226.2400 9.360128 782.9434       35.74911 796.5817      38.22101 687.6191       101.0470 241.3265 5.881848 211.1536 17.77222 30.17288       18.72026 
1 1 1 16  20 5  o 170.0721 9.514245 422.8136       23.60975 426.2053      24.70213 386.9893       80.28073 177.3277 5.173380 162.8165 18.31173 14.51118       19.02849 
1 1 1 16  20 6  o 68.92580 12.42335 93.25719       13.76453 96.97485      14.01773 -6.870653      72.74793 84.36871 6.170394 53.48289 24.06833 30.88582       24.84669 
1 1 1 16  20 7  o 77.56425 13.84694 96.61738       14.22212 97.22861      14.51533 81.94449       71.11835 84.33041 6.392331 70.79810 26.94603 13.53230       27.69387 
1 1 1 16  20 8  o 109.8356 12.86824 207.6619       17.19714 210.8557      17.82023 164.3734       65.60683 124.3201 5.323394 95.35112 25.17991 28.96899       25.73648 
1 1 1 16  20 9  o 41.75243 12.95795 15.45480       16.58077 17.44389      17.02143 -21.47637      73.34413 36.33609 13.31034 47.16876 22.23666 -10.83267      25.91590 
1 1 1 16  20 10 o 55.96607 11.78372 61.73955       18.87541 67.98878      19.67947 -10.08157      66.71542 67.72253 10.79187 44.20961 20.95136 23.51292       23.56744 
1 1 1 16  22 0  o 86.58553 22.23057 87.67404       66.60542 59.00667      86.34679 129.7927       104.6621 76.23907 29.51815 96.93199 33.24864 -20.69292      44.46114 
1 1 1 16  22 1  o 65.22685 19.37734 66.32852       56.93562 61.96598      74.00272 72.65674       89.12886 63.51088 26.35136 66.94283 28.41709 -3.431953      38.75468 
1 1 1 16  22 2  o 357.6981 8.655635 1780.373       83.26053 1752.892      114.5248 1811.182       121.2600 355.0237 11.98005 360.3723 12.49634 -5.348602      17.31127 
1 1 1 16  22 3  o 352.9441 8.650610 1755.727       82.10302 1885.906      118.5273 1635.647       113.8371 365.7648 12.03464 340.1234 12.42979 25.64136       17.30122 
1 1 1 16  22 4  o 52.68171 16.53007 -0.9367284     46.86180 9.033519      66.50758 -10.76730      66.04008 54.57465 23.85726 50.78876 22.88676 3.785885       33.06014 
1 1 1 16  22 5  o 148.9765 10.35159 351.8147       16.62803 354.9055      17.05822 292.8426       74.51064 161.8390 3.914418 136.1140 20.32976 25.72507       20.70318 
1 1 1 16  22 6  o 126.2465 11.87341 235.5344       17.04159 234.5023      17.52457 253.4875       73.09179 131.1867 4.961057 121.3064 23.22282 9.880302       23.74682 
1 1 1 16  22 7  o 71.15834 12.87559 95.80452       16.20667 98.42513      16.70348 53.70618       66.94812 84.07097 7.378661 58.24572 24.67141 25.82525       25.75118 
1 1 1 16  22 8  o 67.61093 13.36653 78.35506       17.45248 77.74383      18.10788 86.34328       65.46204 73.43880 9.157114 61.78307 25.11580 11.65572       26.73306 
1 1 1 16  22 9  o 139.9253 12.62563 342.8057       21.83129 344.1012      22.72871 327.3655       78.46629 157.5400 5.357973 122.3106 24.67627 35.22945       25.25126 
1 1 1 16  24 0  o 242.9353 8.837143 832.6596       57.71952 853.0659      80.14798 810.6735       83.19260 246.3871 12.08068 239.4834 12.90107 6.903687       17.67429 
1 1 1 16  24 1  o 92.34132 16.43433 142.5316       42.86440 88.97556      60.94046 194.9736       60.30338 73.48820 25.36131 111.1944 20.90822 -37.70624      32.86867 
1 1 1 16  24 2  o 173.7094 10.64567 442.5712       49.52164 384.5064      67.36957 510.8260       73.04221 160.8823 15.55150 186.5366 14.54208 -25.65431      21.29134 
1 1 1 16  24 3  o 61.95303 17.60655 56.95659       45.73390 80.08020      64.86549 34.09911       64.49113 67.66415 25.73877 56.24191 24.03078 11.42224       35.21310 
1 1 1 16  24 4  o 97.65491 17.91330 193.5723       52.72202 268.3980      72.03079 107.2287       77.37627 123.5588 22.47824 71.75105 27.89756 51.80772       35.82660 
1 1 1 16  24 5  o 80.49243 19.36650 147.2736       49.99684 136.9077      67.21785 160.1103       74.80090 78.32826 26.64711 82.65661 28.11007 -4.328346      38.73299 
1 1 1 16  24 6  o 92.43896 13.44641 196.4066       14.91932 199.8842      15.23264 114.4705       73.93911 120.5634 4.692199 64.31457 26.48031 56.24879       26.89282 
1 1 1 16  26 0  o 111.2062 16.11235 219.0648       47.70593 301.4204      69.93503 147.3916       65.24196 135.9201 19.10855 86.49241 25.94793 49.42765       32.22471 
1 1 1 16  26 1  o 64.22304 17.99836 79.95334       47.66172 48.92636      67.00932 111.7219       67.80544 56.49539 24.32500 71.95068 26.53408 -15.45530      35.99671 
1 1 1 16  26 2  o 133.7526 15.26740 331.8124       52.76244 357.8871      71.87365 301.3378       77.70136 144.4080 18.48396 123.0973 24.30468 21.31069       30.53480 
1 1 1 16  26 3  o 105.5845 18.57715 257.1270       53.48900 199.9095      71.71178 328.8793       80.30529 88.53928 27.33554 122.6298 25.16366 -34.09051      37.15430 
1 1 1 17  1  0  o 303.8663 3.938571 1245.328       32.22161 1237.448      45.14568 1253.511       46.00290 302.8901 5.535384 304.8425 5.604363 -1.952454      7.877142 
1 1 1 17  1  1  o 478.0038 5.395936 3087.894       69.44732 3072.546      97.58790 3103.642       98.85098 476.8077 7.600975 479.1999 7.660918 -2.392212      10.79187 
1 1 1 17  1  2  o 502.5953 5.653714 3412.039       76.51289 3415.260      108.1235 3408.808       108.2878 502.8349 7.985672 502.3557 8.005434 0.4792175      11.30743 
1 1 1 17  1  3  o 199.0702 3.681672 533.5567       19.72136 561.4963      28.39026 507.5024       27.41570 204.1026 5.165798 194.0378 5.247224 10.06482       7.363344 
1 1 1 17  1  4  f 105.7800 5.130774 151.0515       14.58998 149.7312      21.20087 152.2393       20.10909 105.3335 7.474873 106.2265 7.030337 -0.8930130     10.26155 
1 1 1 17  1  5  o 319.4877 4.216461 1375.958       36.27286 1381.317      51.26605 1370.585       51.32916 320.1118 5.947642 318.8637 5.978271 1.248016       8.432922 
1 1 1 17  1  6  o 437.1198 5.157026 2577.079       60.69607 2606.770      86.35497 2548.090       85.32865 439.6075 7.295227 434.6320 7.291045 4.975555       10.31405 
1 1 1 17  1  7  o 398.0889 4.882827 2138.113       52.33952 2147.679      74.23930 2128.658       73.80116 398.9737 6.910449 397.2042 6.900268 1.769470       9.765654 
1 1 1 17  1  8  o 236.4372 4.178862 754.7797       26.57650 745.8320      38.34972 763.0475       36.86398 235.0741 6.058624 237.8002 5.757136 -2.726166      8.357723 
1 1 1 17  1  9  o 237.2555 4.291551 759.8009       27.40000 748.7852      37.98491 771.7505       39.56210 235.4732 5.990819 239.0378 6.146520 -3.564606      8.583101 
1 1 1 17  1  10 o 429.0613 5.364587 2492.385       61.97616 2518.456      88.02975 2466.762       87.27025 431.2879 7.580167 426.8346 7.593172 4.453339       10.72917 
1 1 1 17  1  11 f 335.6473 4.875099 1522.615       43.99355 1473.056      60.24042 1579.255       64.40024 329.8380 6.782721 341.4567 7.004360 -11.61871      9.750198 
1 1 1 17  1  12 o 90.58863 14.25302 116.1313       33.92215 142.1532      50.41021 94.59636       45.85850 99.97290 19.42627 81.20436 20.86180 18.76854       28.50604 
1 1 1 17  1  13 o 130.3606 8.001608 237.4367       27.58642 184.8855      38.48449 292.9778       39.56409 115.0185 12.42609 145.7027 10.08441 -30.68414      16.00322 
1 1 1 17  1  14 o 197.2733 6.052285 535.7383       32.14861 536.4000      45.33765 535.0692       45.59343 197.4110 8.529119 197.1356 8.589223 0.2754669      12.10457 
1 1 1 17  1  15 o 178.9690 6.330369 448.7437       30.41116 464.0746      41.88989 431.6595       44.22043 182.5171 8.523586 175.4210 9.361773 7.096100       12.66074 
1 1 1 17  1  16 o 34.85176 11.40144 -17.63173      25.73630 2.839789      36.75295 -37.32814      36.05045 38.90960 17.33777 30.79391 14.81124 8.115688       22.80288 
1 1 1 17  1  17 o 83.28133 12.35049 124.4735       26.80421 117.3548      37.17384 132.1827       38.68507 80.50488 17.63640 86.05777 17.29439 -5.552887      24.70099 
1 1 1 17  3  0  o 112.0916 4.706348 169.6873       14.16491 153.3792      19.82620 186.6911       20.24477 106.5764 6.908679 117.6068 6.392889 -11.03036      9.412697 
1 1 1 17  3  1  o 108.4048 4.752211 158.6509       13.86838 160.1502      19.46040 157.1037       19.76894 108.9289 6.634763 107.8808 6.805436 1.048088       9.504422 
1 1 1 17  3  2  o 181.1600 3.759835 441.6736       18.32367 419.2539      25.31943 466.3285       26.55162 176.3410 5.332333 185.9791 5.302045 -9.638123      7.519671 
1 1 1 17  3  3  o 260.8287 3.776385 916.9738       26.52140 923.4143      37.72017 910.6769       37.29726 261.7337 5.352179 259.9236 5.329025 1.810089       7.552770 
1 1 1 17  3  4  o 249.6883 3.820154 840.2316       25.68086 832.2042      35.98072 848.5673       36.66541 248.4742 5.377807 250.9023 5.427107 -2.428177      7.640307 
1 1 1 17  3  5  o 210.6560 3.941711 598.0527       22.35758 601.6354      31.79054 594.5466       31.44901 211.2797 5.588005 210.0323 5.560803 1.247330       7.883421 
1 1 1 17  3  6  o 221.7039 4.075691 662.4579       24.31852 659.6273      33.82284 665.4872       34.99002 221.2176 5.678152 222.1902 5.848386 -0.9725647     8.151381 
1 1 1 17  3  7  o 239.1471 4.136691 770.5120       26.62035 808.6622      38.37434 735.1237       36.95925 244.8486 5.820496 233.4457 5.879683 11.40288       8.273382 
1 1 1 17  3  8  f 182.3054 6.186992 448.7086       30.37124 0.000000      0.000000 448.7086       30.37124 ?        ?        182.3054 6.186992 ?              ?        
1 1 1 17  3  9  f 307.3774 4.466963 1275.176       36.94275 1304.678      53.52492 1248.337       51.05259 310.7563 6.396652 303.9984 6.236817 6.757843       8.933927 
1 1 1 17  3  10 o 297.1204 4.825726 1194.255       38.60564 1187.567      54.23514 1201.123       54.96544 296.2829 6.798151 297.9579 6.850959 -1.675018      9.651451 
1 1 1 17  3  11 o 111.5373 8.560340 173.4427       25.65727 176.0156      37.60732 171.2025       35.09276 112.1980 12.44812 110.8766 11.75423 1.321404       17.12068 
1 1 1 17  3  12 o 71.99785 14.31284 72.26396       30.63160 38.54647      42.93470 107.2183       43.71509 57.72256 21.14028 86.27314 19.30073 -28.55058      28.62568 
1 1 1 17  3  13 o 125.3289 8.677697 220.3943       28.98211 264.2868      42.16109 181.0724       39.90563 137.5082 11.38675 113.1497 13.09777 24.35857       17.35539 
1 1 1 17  3  14 o 53.16924 14.06458 36.44368       27.43832 25.74112      38.58847 47.38833       39.02246 49.13033 19.51854 57.20816 20.25527 -8.077831      28.12916 
1 1 1 17  3  15 o 34.74667 11.21772 -28.17813      25.41352 11.43947      35.38642 -70.37627      36.52072 42.08018 17.88566 27.41316 13.54446 14.66701       22.43545 
1 1 1 17  3  16 o 37.57138 12.04322 -7.363126      26.64659 -26.35413     36.03298 15.55644       39.58488 32.37841 15.35980 42.76435 18.55353 -10.38594      24.08644 
1 1 1 17  5  0  o 289.5862 3.824413 1131.073       29.81613 1125.173      41.73394 1137.224       42.61253 288.8192 5.366362 290.3532 5.450386 -1.533997      7.648827 
1 1 1 17  5  1  o 343.8881 4.229608 1594.732       39.16079 1620.504      55.88642 1569.870       54.89044 346.6166 5.987886 341.1597 5.975244 5.456879       8.459215 
1 1 1 17  5  2  o 158.6807 4.010808 339.3667       17.12280 342.1042      24.77173 336.8621       23.69475 159.2891 5.775462 158.0722 5.566898 1.216949       8.021615 
1 1 1 17  5  3  o 347.8041 4.331020 1630.833       40.55496 1653.776      57.96749 1608.837       56.75838 350.1975 6.147351 345.4107 6.102541 4.786804       8.662040 
1 1 1 17  5  4  o 387.2297 4.676738 2022.001       48.76324 2020.563      68.83152 2023.450       69.09248 387.0925 6.603729 387.3670 6.624068 -0.2745056     9.353476 
1 1 1 17  5  5  o 278.5766 4.015194 1046.233       30.11142 1063.795      42.37851 1028.326       42.79247 280.9424 5.602025 276.2108 5.753647 4.731537       8.030388 
1 1 1 17  5  6  o 152.3774 4.722513 313.4617       19.34165 319.7107      26.72394 306.5873       28.02917 153.9826 6.445333 150.7723 6.904072 3.210312       9.445026 
1 1 1 17  5  7  o 294.5495 4.275522 1170.879       33.90613 1183.266      47.75402 1158.287       48.14944 296.1270 5.988920 292.9720 6.103539 3.154968       8.551044 
1 1 1 17  5  8  o 236.1876 4.181585 752.5169       26.57367 738.0325      36.73966 768.4083       38.48257 233.8147 5.835525 238.5604 5.990766 -4.745712      8.363171 
1 1 1 17  5  9  o 404.0385 5.110056 2207.041       55.59015 2192.886      78.03909 2221.622       79.20661 402.7306 7.196383 405.3463 7.256912 -2.615692      10.22011 
1 1 1 17  5  10 o 110.2469 8.056029 165.6339       23.85432 182.6581      34.41227 149.8868       33.09639 115.7374 11.04222 104.7565 11.73319 10.98087       16.11206 
1 1 1 17  5  11 o 244.6038 5.536365 814.2426       36.43516 770.8243      50.61503 860.9377       52.49032 237.8167 7.904124 251.3910 7.754364 -13.57430      11.07273 
1 1 1 17  5  12 o 161.6767 7.339168 369.0961       31.87921 403.1305      46.74673 339.5072       43.58696 168.6832 10.29191 154.6701 10.46566 14.01315       14.67834 
1 1 1 17  5  13 o 181.0311 6.281238 452.2525       30.59728 459.7077      44.23409 445.4129       42.36836 182.3974 9.006477 179.6648 8.757807 2.732666       12.56248 
1 1 1 17  5  14 o 228.5253 5.570379 720.9439       34.27119 718.8862      48.00029 723.0835       48.94713 228.2410 7.810285 228.8096 7.944555 -0.5686188     11.14076 
1 1 1 17  5  15 o 194.4039 6.040095 530.3423       31.55907 545.5302      43.76303 513.8864       45.55331 197.5853 8.225635 191.2225 8.847031 6.362793       12.08019 
1 1 1 17  5  16 o 96.06921 11.12775 153.1094       27.67356 164.1724      37.44247 139.7904       41.08303 102.4202 13.57674 89.71825 17.63460 12.70192       22.25550 
1 1 1 17  7  0  o 51.51705 8.925957 35.71531       12.56832 53.57617      19.29058 22.54151       16.56721 61.81442 12.02254 41.21968 13.19657 20.59474       17.85191 
1 1 1 17  7  1  o 402.5115 4.752454 2184.538       51.49241 2144.527      71.73077 2227.079       73.96305 398.7154 6.681272 406.3076 6.760464 -7.592163      9.504908 
1 1 1 17  7  2  o 279.4717 3.889741 1052.785       29.26863 1060.433      41.72913 1045.380       41.06309 280.4690 5.525494 278.4745 5.476245 1.994568       7.779482 
1 1 1 17  7  3  o 510.0107 5.759955 3509.720       79.08028 3467.391      110.3398 3554.426       113.3956 506.8594 8.084653 513.1620 8.206506 -6.302643      11.51991 
1 1 1 17  7  4  o 89.55356 6.107769 108.0791       14.71161 115.5391      21.23738 101.1967       20.39867 92.52287 8.524491 86.58425 8.749425 5.938622       12.21554 
1 1 1 17  7  5  o 300.5068 4.116014 1216.736       33.28405 1202.521      46.13868 1232.162       48.06170 298.6827 5.736825 302.3308 5.903823 -3.648071      8.232029 
1 1 1 17  7  6  o 186.9567 4.229064 469.6105       21.24500 504.7118      31.27303 439.5280       28.95107 193.4159 6.004743 180.4974 5.956761 12.91850       8.458129 
1 1 1 17  7  7  o 363.4139 4.693547 1782.848       45.90928 1753.595      63.81427 1814.231       66.09694 360.3361 6.576982 366.4918 6.697824 -6.155670      9.387094 
1 1 1 17  7  8  o 109.4027 6.383944 162.2356       18.70882 184.9501      26.92922 141.0434       26.01118 116.8419 8.559369 101.9635 9.473973 14.87843       12.76789 
1 1 1 17  7  9  o 132.9621 6.636903 239.7928       23.74108 226.6113      32.95028 254.0236       34.23656 129.1563 9.474583 136.7679 9.296569 -7.611557      13.27381 
1 1 1 17  7  10 o 460.6864 5.740293 2879.701       71.18845 2857.051      99.38696 2903.565       102.0159 458.8598 8.043888 462.5130 8.191442 -3.653259      11.48059 
1 1 1 17  7  11 o 202.3003 9.723497 554.1284       52.96665 554.1284      52.96665 0.000000       0.000000 202.3003 9.723497 ?        ?        ?              ?        
1 1 1 17  7  12 o 173.0227 6.759570 413.2840       31.24383 433.6620      42.31367 388.8541       46.32986 177.9844 8.829080 168.0610 10.23790 9.923370       13.51914 
1 1 1 17  7  13 o 120.6790 8.970332 204.6633       28.83066 200.1918      37.91693 210.7916       44.38918 119.5002 11.78368 121.8579 13.52820 -2.357628      17.94066 
1 1 1 17  7  14 o 139.0275 7.417711 274.0783       27.51070 280.3363      36.80047 266.1506       41.41991 141.3291 9.670264 136.7258 11.25059 4.603302       14.83542 
1 1 1 17  7  15 o 73.25250 12.03910 92.78667       27.13817 147.2745      37.23216 31.02605       39.63915 98.38454 14.05426 48.12046 19.55090 50.26408       24.07820 
1 1 1 17  7  16 o 44.77134 13.25163 27.99073       26.78817 13.20452      35.20244 48.33306       41.28997 39.20789 17.24256 50.33480 20.12751 -11.12691      26.50326 
1 1 1 17  9  0  o 153.7651 3.820872 318.9436       15.80746 306.1223      22.44317 331.5656       22.26812 150.6918 5.531095 156.8384 5.272878 -6.146622      7.641744 
1 1 1 17  9  1  o 74.40024 6.505017 76.16141       12.74896 59.17020      18.28716 92.22848       17.78290 66.14592 10.26739 82.65456 7.990105 -16.50864      13.01003 
1 1 1 17  9  2  f 86.51074 5.884552 101.5933       13.62828 91.51393      19.62050 110.9895       18.94391 82.32661 8.850882 90.69487 7.757173 -8.368256      11.76910 
1 1 1 17  9  3  o 420.1353 4.950222 2380.370       55.99779 2387.490      79.68340 2373.423       78.71123 420.7527 7.033274 419.5179 6.967915 1.234863       9.900443 
1 1 1 17  9  4  o 536.8864 6.050498 3890.752       87.46440 3920.856      124.5188 3861.434       122.8841 538.9321 8.580598 534.8406 8.532728 4.091492       12.10100 
1 1 1 17  9  5  o 388.1171 6.792745 2033.081       70.98907 0.000000      0.000000 2033.081       70.98907 ?        ?        388.1171 6.792745 ?              ?        
1 1 1 17  9  6  o 279.0183 4.129643 1049.225       31.00259 1085.350      44.93024 1016.393       42.83343 283.5919 5.883851 274.4447 5.796216 9.147156       8.259287 
1 1 1 17  9  7  o 192.3248 4.427274 499.9163       22.84811 503.0982      31.10136 496.1857       33.67623 193.0174 5.984110 191.6323 6.526366 1.385101       8.854548 
1 1 1 17  9  8  o 294.7914 4.575063 1174.300       36.31420 1176.030      51.61379 1172.604       51.10212 295.0018 6.497670 294.5811 6.442445 0.4207458      9.150126 
1 1 1 17  9  9  o 183.4033 5.478303 454.6782       27.02340 436.1024      37.14859 475.5557       39.38293 179.4413 7.688408 187.3653 7.806127 -7.923935      10.95661 
1 1 1 17  9  10 o 191.9773 6.825140 499.9308       35.17772 502.4130      48.01506 497.0547       51.68504 192.5459 9.261045 191.4088 10.02812 1.137085       13.65028 
1 1 1 17  9  11 o 173.0049 6.750371 419.9453       31.10058 430.9019      41.41122 405.7704       47.10201 176.1212 8.732187 169.8886 10.29655 6.232544       13.50074 
1 1 1 17  9  12 o 65.98239 13.64725 59.64725       26.85322 30.98367      34.15676 106.0334       43.45160 49.73176 18.73450 82.23302 19.84964 -32.50126      27.29450 
1 1 1 17  9  13 o 142.9948 8.334532 291.0922       31.42840 291.7636      40.65576 290.0952       49.54338 144.0034 10.48494 141.9862 12.95854 2.017181       16.66906 
1 1 1 17  9  14 o 92.05426 12.12852 133.9007       29.08146 133.9431      38.48230 133.8442       44.40555 93.92361 15.21608 90.18491 18.89113 3.738708       24.25704 
1 1 1 17  9  15 o 64.55226 13.81113 81.05312       29.03435 109.2071      38.06767 41.89864       44.89283 78.68788 18.31057 50.41664 20.68121 28.27124       27.62227 
1 1 1 17  11 0  o 254.5748 5.171502 873.4531       35.44993 0.000000      0.000000 873.4531       35.44993 ?        ?        254.5748 5.171502 ?              ?        
1 1 1 17  11 1  o 47.82729 9.305973 31.58902       12.29369 35.17760      18.64717 28.83006       16.35021 50.12043 13.51029 45.53414 12.80144 4.586292       18.61195 
1 1 1 17  11 2  o 103.6882 5.025551 145.3771       13.96029 127.8774      19.65322 163.1996       19.83368 97.36341 7.496429 110.0130 6.695387 -12.64964      10.05110 
1 1 1 17  11 3  f 339.8685 4.333744 1557.255       39.65906 1553.989      55.82847 1560.582       56.34790 339.5103 6.106879 340.2266 6.150722 -0.7162476     8.667488 
1 1 1 17  11 4  o 232.7278 3.911324 730.5124       24.50964 721.4946      34.50480 739.6963       34.82109 231.2776 5.540674 234.1781 5.522206 -2.900589      7.822649 
1 1 1 17  11 5  o 479.2502 5.567064 3105.898       71.83948 3115.428      101.9788 3096.510       101.2182 479.9753 7.890558 478.5251 7.855439 1.450195       11.13413 
1 1 1 17  11 6  o 377.3529 4.798364 1924.526       48.75484 1938.121      69.15064 1911.087       68.75060 378.6789 6.781749 376.0268 6.790071 2.652100       9.596727 
1 1 1 17  11 7  o 146.4026 5.791945 288.9799       22.58543 281.8355      29.66457 298.8326       34.83639 144.3158 7.633801 148.4895 8.712724 -4.173737      11.58389 
1 1 1 17  11 8  o 442.4566 5.644367 2651.055       67.16003 2617.116      92.40746 2689.054       97.77711 439.5193 7.808105 445.3939 8.152852 -5.874542      11.28873 
1 1 1 17  11 9  o 218.2366 6.441214 648.7056       37.56421 644.8519      50.07570 653.6650       56.80619 217.6582 8.544147 218.8150 9.641293 -1.156784      12.88243 
1 1 1 17  11 10 o 36.88220 12.30423 -38.31641      30.34483 -51.65503     38.25162 -15.67109      49.84065 31.08366 15.02635 42.68075 19.48808 -11.59710      24.60847 
1 1 1 17  11 11 o 142.6628 8.121850 292.4477       29.94488 315.0552      38.39698 257.3525       47.84031 150.8096 9.455503 134.5159 13.20800 16.29379       16.24370 
1 1 1 17  11 12 f 223.8105 6.027710 686.0782       35.33530 668.3914      44.79365 715.2167       57.49403 220.6265 7.540070 226.9946 9.406407 -6.368118      12.05542 
1 1 1 17  11 13 o 221.5647 6.172415 690.3448       35.81564 707.3255      46.01550 664.2481       57.04538 226.0471 7.559999 217.0824 9.759162 8.964737       12.34483 
1 1 1 17  11 14 o 85.34462 13.48911 122.5784       29.09914 112.5775      35.94761 141.5882       49.56107 82.61936 16.73232 88.06988 21.16256 -5.450516      26.97823 
1 1 1 17  11 15 o 78.20969 13.08205 115.2802       27.15630 124.1007      36.46869 104.3016       40.68611 84.07198 16.69836 72.34738 20.14262 11.72460       26.16410 
1 1 1 17  13 0  o 490.5942 5.578451 3244.813       73.65245 3324.498      106.3025 3171.242       102.1426 496.3737 7.953372 484.8147 7.824341 11.55899       11.15690 
1 1 1 17  13 1  o 180.6425 3.562395 440.0423       17.30453 433.3019      25.02226 446.2209       23.95709 179.3108 5.182468 181.9741 4.889238 -2.663223      7.124790 
1 1 1 17  13 2  o 480.3240 5.536342 3114.710       71.59124 3078.832      100.0877 3152.297       102.4440 477.5007 7.784366 483.1473 7.874514 -5.646637      11.07268 
1 1 1 17  13 3  o 83.23520 6.254244 93.72346       13.99963 100.1812      19.98885 87.50607       19.61341 86.05898 8.625977 80.41142 9.058410 5.647568       12.50849 
1 1 1 17  13 4  o 284.4459 4.122112 1092.352       31.56778 1102.519      44.41507 1081.974       44.87566 285.7910 5.771628 283.1008 5.886896 2.690216       8.244225 
1 1 1 17  13 5  o 130.6429 5.167519 231.8988       18.08475 245.1699      24.83187 216.9093       26.39063 134.6776 6.847477 126.6083 7.741127 8.069366       10.33504 
1 1 1 17  13 6  o 147.2679 6.080600 292.7343       23.17000 289.1716      28.92263 299.1168       38.71172 146.1667 7.348623 148.3691 9.689816 -2.202423      12.16120 
1 1 1 17  13 7  o 113.5902 8.800497 171.2238       25.26956 162.0178      30.47502 191.4822       45.20753 109.1128 10.37253 118.0677 14.21990 -8.954834      17.60099 
1 1 1 17  13 8  o 99.29341 14.18235 153.0344       32.33754 167.3236      37.56788 112.1665       63.53358 110.7526 12.59735 87.83420 25.41384 22.91842       28.36471 
1 1 1 17  13 9  o 216.6460 7.177926 665.2067       39.03067 670.2162      47.52427 654.8262       68.41155 219.7885 8.030213 213.5035 11.89984 6.285004       14.35585 
1 1 1 17  13 10 o 280.4525 7.391512 1077.596       55.81822 1077.596      55.81822 0.000000       0.000000 280.4525 7.391512 ?        ?        ?              ?        
1 1 1 17  13 11 o 115.6213 10.59858 192.0230       29.84702 190.2294      35.41496 196.4199       55.45111 116.4283 11.29652 114.8143 17.93621 1.613991       21.19715 
1 1 1 17  13 12 o 223.0104 6.380023 714.5923       36.16156 762.3392      45.32141 630.9390       59.98919 235.0933 7.159454 210.9276 10.56224 24.16566       12.76005 
1 1 1 17  13 13 o 108.2141 10.66695 179.0233       28.59772 174.0593      34.32896 190.2799       51.69520 108.6935 11.72935 107.7347 17.82015 0.9588165      21.33390 
1 1 1 17  13 14 o 74.57339 13.13029 102.8287       26.08311 94.81503      34.54874 113.4504       39.77513 71.86794 17.91588 77.27885 19.19997 -5.410912      26.26057 
1 1 1 17  15 0  o 58.02661 6.058678 45.34857       9.139536 56.88499      13.86806 36.49084       12.15182 64.88076 7.938097 51.17246 9.155159 13.70830       12.11736 
1 1 1 17  15 1  o 94.39937 4.873093 122.4814       12.14450 106.4296      18.30850 135.0935       16.22878 88.74422 7.661772 100.0545 6.023734 -11.31030      9.746185 
1 1 1 17  15 2  f 233.9678 3.838161 739.1962       24.14703 749.3668      33.41810 728.0844       34.93016 235.6688 5.266187 232.2669 5.585087 3.401886       7.676322 
1 1 1 17  15 3  o 204.6529 4.108133 565.3411       22.44011 564.2706      29.81502 566.7400       34.08139 204.4680 5.415349 204.8379 6.179079 -0.3698730     8.216266 
1 1 1 17  15 4  o 195.7079 5.038956 521.9320       25.52238 533.0256      32.13898 502.9913       41.99462 198.6678 6.007879 192.7481 8.091334 5.919724       10.07791 
1 1 1 17  15 5  o 213.9021 5.676984 609.0567       30.32171 591.1973      36.34086 649.9786       55.00980 209.0903 6.454729 218.7139 9.340720 -9.623596      11.35397 
1 1 1 17  15 6  o 211.8567 6.131312 615.9855       31.81281 616.9249      37.87032 613.7333       58.63951 212.9321 6.605025 210.7813 10.33178 2.150818       12.26262 
1 1 1 17  15 7  o 207.5669 8.304183 582.4399       46.41287 582.4399      46.41287 0.000000       0.000000 207.5669 8.304183 ?        ?        ?              ?        
1 1 1 17  15 8  o 216.9767 7.365830 624.2845       36.52450 601.3110      41.47993 703.5701       77.05876 209.9152 7.338556 224.0381 12.77370 -14.12288      14.73166 
1 1 1 17  15 9  o 206.6927 7.301702 600.3176       34.85779 605.7852      40.24653 583.9022       69.73524 210.4095 7.103621 202.9759 12.75923 7.433594       14.60340 
1 1 1 17  15 10 o 145.4741 9.247213 314.0135       30.06420 324.3434      34.52119 281.5783       61.17123 153.2071 8.368037 137.7411 16.49302 15.46597       18.49443 
1 1 1 17  15 11 o 48.34412 14.49461 15.17843       26.88833 7.255897      30.08792 46.59824       59.91863 38.54786 16.44082 58.14037 23.87624 -19.59251      28.98923 
1 1 1 17  15 12 o 41.41129 13.60870 -11.85066      26.57074 -21.40138     29.17000 34.68868       64.39149 29.88671 14.06930 52.93586 23.29897 -23.04916      27.21741 
1 1 1 17  15 13 o 50.33036 13.58051 43.84571       24.76757 31.22133      30.79596 66.96559       41.67558 43.94170 17.44320 56.71901 20.81961 -12.77731      27.16103 
1 1 1 17  17 0  o 273.3950 7.172907 1015.348       52.76189 1001.698      75.84885 1028.145       73.44248 271.5612 10.37284 275.2288 9.909919 -3.667542      14.34581 
1 1 1 17  17 1  o 200.7375 6.128187 542.9069       23.32866 541.6727      25.22381 550.2071       61.34418 200.3984 4.674477 201.0767 11.32996 -0.6782532     12.25637 
1 1 1 17  17 2  o 202.7449 7.282078 586.5239       29.03110 600.5310      31.86485 518.1131       70.42065 210.8990 5.611177 194.5909 13.43984 16.30811       14.56416 
1 1 1 17  17 3  o 155.7715 9.481286 292.0137       24.43068 282.0776      25.65617 388.6312       80.00391 144.4142 6.597789 167.1287 17.77775 -22.71449      18.96257 
1 1 1 17  17 4  o 199.8840 8.175699 509.3553       29.21964 496.7190      31.10553 604.1887       85.21306 191.5499 6.030762 208.2181 15.19862 -16.66820      16.35140 
1 1 1 17  17 5  o 370.6640 7.607610 1815.834       63.70074 1777.334      72.15787 1951.801       135.6041 362.7052 7.388334 378.6227 13.30096 -15.91754      15.21522 
1 1 1 17  17 6  o 114.5061 14.49490 167.6541       27.19353 156.7241      28.59854 270.7635       87.83830 105.7502 10.04336 123.2619 27.19448 -17.51170      28.98980 
1 1 1 17  17 7  o 46.36441 13.50775 18.47977       25.58862 32.76020      27.38903 -79.55249      71.76134 48.99673 16.99697 43.73208 20.99858 5.264652       27.01550 
1 1 1 17  17 8  o 86.01047 13.89310 138.8972       27.37923 155.5490      30.14258 60.36703       65.45873 105.7393 10.58670 66.28168 25.69036 39.45758       27.78620 
1 1 1 17  17 9  o 212.6871 6.759887 620.9407       38.71364 620.9407      38.71364 0.000000       0.000000 212.6871 6.759887 ?        ?        ?              ?        
1 1 1 17  17 10 f 91.84914 14.73867 112.5748       26.94392 98.93089      28.99692 198.8219       72.90449 81.92557 13.14465 101.7727 26.38432 -19.84715      29.47735 
1 1 1 17  17 11 o 118.7233 9.592762 203.1626       30.66641 203.1626      30.66641 0.000000       0.000000 118.7233 9.592762 ?        ?        ?              ?        
1 1 1 17  17 12 o 168.5873 8.199823 409.2855       37.22312 409.2855      37.22312 0.000000       0.000000 168.5873 8.199823 ?        ?        ?              ?        
1 1 1 17  19 0  o 321.3517 8.367195 1411.613       72.36578 1371.799      102.8302 1450.678       101.8580 316.7711 12.05568 325.9324 11.60605 -9.161255      16.73439 
1 1 1 17  19 1  o 413.6142 8.637504 2335.734       96.15269 2257.077      133.6082 2420.238       138.4837 406.4008 12.20942 420.8276 12.22112 -14.42682      17.27501 
1 1 1 17  19 2  o 56.54114 18.01500 11.87914       57.52139 1.951235      77.41924 24.11310       85.94167 53.90130 24.48599 59.18097 26.43100 -5.279671      36.03001 
1 1 1 17  19 3  o 220.6057 10.02138 643.2174       35.15355 638.5488      36.93445 688.1563       114.5905 217.5241 6.305811 223.6873 19.02496 -6.163239      20.04276 
1 1 1 17  19 4  o 267.3049 8.506576 1078.999       33.43475 1090.273      35.06519 966.1581       110.9370 283.0764 4.600332 251.5334 16.37938 31.54300       17.01315 
1 1 1 17  19 5  o 220.0538 7.919283 653.9835       23.51371 650.8683      24.34225 697.4218       90.89806 219.3697 4.120982 220.7378 15.29306 -1.368134      15.83857 
1 1 1 17  19 6  o 110.0683 14.75049 210.8021       16.90900 213.1823      17.28821 158.3254       81.17671 125.3323 5.122756 94.80432 29.05281 30.52799       29.50099 
1 1 1 17  19 7  o 106.0140 14.36061 219.7711       18.26374 225.4576      18.82606 128.8242       75.28876 128.6461 5.434747 83.38178 28.20234 45.26437       28.72122 
1 1 1 17  19 8  o 52.71829 13.88109 35.39990       17.77118 34.97884      18.50534 40.39285       63.72408 48.07148 13.65567 57.36510 24.17149 -9.293625      27.76218 
1 1 1 17  19 9  o 83.09486 14.24072 128.8308       25.14127 132.6287      27.04255 104.6354       68.25648 95.86891 10.47578 70.32080 26.48491 25.54811       28.48144 
1 1 1 17  19 10 o 67.33160 13.04890 89.51948       20.31296 91.73502      21.35038 68.36922       65.96648 78.85049 10.05583 55.81269 24.08268 23.03780       26.09780 
1 1 1 17  21 0  f 143.3502 18.58043 291.0358       70.09583 259.6993      95.68759 327.3263       102.9739 133.6479 27.50656 153.0525 24.98637 -19.40468      37.16086 
1 1 1 17  21 1  o 68.49466 19.82274 64.10165       58.71574 30.09177      78.35648 107.6535       88.66981 59.83920 26.03261 77.15012 29.90096 -17.31093      39.64548 
1 1 1 17  21 2  o 361.9633 8.842992 1821.236       86.08997 1798.204      118.6498 1846.843       125.1058 359.7859 12.24727 364.1406 12.75924 -4.354736      17.68598 
1 1 1 17  21 3  o 327.3675 9.002403 1519.123       79.31561 1514.305      110.3860 1524.266       114.0417 327.0848 12.53343 327.6501 12.92618 -0.5653076     18.00481 
1 1 1 17  21 4  o 157.3670 9.362370 349.9136       20.37493 349.8332      21.17114 350.9224       75.00016 160.6227 4.895014 154.1112 18.07359 6.511459       18.72474 
1 1 1 17  21 5  o 81.44556 14.24498 103.5766       13.82667 103.5484      14.07057 104.3692       74.58437 87.04406 6.003285 75.84706 27.85028 11.19700       28.48995 
1 1 1 17  21 6  o 122.5550 13.06699 248.6453       15.93927 250.0708      16.31565 218.8127       74.63854 135.6229 4.467740 109.4871 25.74926 26.13583       26.13398 
1 1 1 17  21 7  o 44.05455 12.50592 23.58935       13.66661 24.82098      13.96858 -3.977401      66.08538 40.59879 11.96540 47.51031 21.96409 -6.911522      25.01184 
1 1 1 17  21 8  o 62.21055 12.97089 66.34076       15.93437 66.37521      16.40452 65.76528       67.03712 67.87118 8.976249 56.54993 24.33933 11.32125       25.94178 
1 1 1 17  21 9  o 110.1964 14.39930 260.8776       20.45402 266.3336      21.24943 192.0655       75.46466 138.3264 5.705042 82.06647 28.22785 56.25991       28.79859 
1 1 1 17  23 0  o 232.7234 9.157097 766.4995       57.31557 718.0773      79.36745 819.2746       82.85809 224.9144 13.10514 240.5325 12.79316 -15.61801      18.31419 
1 1 1 17  23 1  o 131.9404 14.06282 262.7405       49.89771 265.3195      69.16583 259.9417       72.05484 133.0224 19.31006 130.8585 20.44928 2.163910       28.12563 
1 1 1 17  23 2  o 56.60426 17.02901 25.98905       46.48983 55.81639      66.40341 -2.686589      65.10879 62.85781 25.38674 50.35072 22.70379 12.50710       34.05802 
1 1 1 17  23 3  o 287.4863 8.948072 1196.845       69.16558 1233.838      96.40054 1157.598       99.29341 292.7262 12.23023 282.2465 13.06497 10.47968       17.89614 
1 1 1 17  23 4  f 72.55914 19.23322 104.8790       50.39898 96.55232      66.73141 115.9349       76.89388 70.43454 26.25380 74.68373 28.11414 -4.249191      38.46643 
1 1 1 17  23 5  o 84.85521 14.18682 117.4596       11.85388 116.8992      12.00569 139.1978       74.77711 92.42672 4.823988 77.28370 27.96056 15.14302       28.37365 
1 1 1 17  23 6  o 58.81270 14.15081 51.09157       16.23733 48.55071      16.66019 99.24770       72.52956 55.92162 11.44950 61.70378 25.88225 -5.782166      28.30163 
1 1 1 17  25 0  o 75.16415 18.09673 106.6050       43.82858 117.5819      64.04636 96.93688       60.10697 78.23798 26.00872 72.09032 25.16969 6.147659       36.19347 
1 1 1 17  25 1  o 103.1465 16.96718 214.6051       49.41412 133.1189      78.10944 268.9783       63.80487 77.63319 28.50162 128.6599 18.41736 -51.02670      33.93437 
1 1 1 17  25 2  o 86.08447 17.59556 155.2366       50.88050 251.2285      72.83302 63.73343       71.10973 113.3315 24.57477 58.83743 25.18919 54.49409       35.19111 
1 1 1 17  25 3  o 47.64558 15.61606 10.69651       50.07959 54.28362      66.91026 -44.82102      75.51421 53.46065 23.62922 41.83051 20.42315 11.63014       31.23212 
1 1 1 17  25 4  o 41.37320 14.06656 -18.08003      46.11042 -35.04236     66.65440 -2.512280      63.85559 39.83020 19.38935 42.91619 20.38443 -3.085999      28.13311 
1 1 1 17  27 0  f 66.61768 18.23474 116.1913       51.82740 46.69429      72.01530 190.8574       74.64546 50.76060 23.27011 82.47475 28.08069 -31.71415      36.46948 
1 1 1 18  0  0  f 379.4745 6.410366 1946.102       65.41150 1957.109      93.19628 1935.415       91.83049 380.5271 9.107347 378.4220 9.023712 -0.000000      0.000000 
1 1 1 18  0  1  o 174.9844 5.311888 415.1800       24.90331 418.0159      34.60450 412.1334       35.86660 175.6339 7.346355 174.3350 7.674353 -0.000000      0.000000 
1 1 1 18  0  2  o 197.7007 5.433554 527.4527       28.65811 513.4175      38.29130 545.3257       43.21049 194.7592 7.325131 200.6421 8.027233 -0.000000      0.000000 
1 1 1 18  0  3  o 33.29083 13.43638 16.49117       19.47862 5.383657      26.20950 30.19549       29.11247 27.35639 17.15231 39.22527 20.68680 -0.000000      0.000000 
1 1 1 18  0  4  o 144.1488 6.368048 283.5234       24.43097 285.1976      33.43041 281.6043       35.79155 144.6828 8.651914 143.6147 9.346258 -0.000000      0.000000 
1 1 1 18  0  5  o 110.3957 8.153721 170.3030       23.44512 176.2151      31.99678 163.4487       34.45200 112.7780 10.76166 108.0134 12.25232 -0.000000      0.000000 
1 1 1 18  0  6  o 353.2444 6.475842 1687.075       61.50065 1677.919      86.53878 1696.417       87.41799 352.2777 9.136987 354.2112 9.179412 -0.000000      0.000000 
1 1 1 18  0  7  o 156.6385 6.691796 334.9743       27.98781 336.2464      39.50513 333.6924       39.65678 156.9490 9.425699 156.3280 9.501407 -0.000000      0.000000 
1 1 1 18  0  8  o 118.8221 9.465447 199.0047       29.19119 213.4009      41.08759 184.3319       41.48037 123.5984 12.64925 114.0457 14.08457 -0.000000      0.000000 
1 1 1 18  0  9  o 297.6938 6.548455 1193.921       52.18193 1293.941      78.01814 1112.958       70.19331 308.9020 9.399455 286.4855 9.120270 -0.000000      0.000000 
1 1 1 18  0  10 o 32.30175 14.57170 -7.129498      30.75864 -46.63457     45.54648 25.99345       41.70545 25.18236 17.66480 39.42114 23.17956 -0.000000      0.000000 
1 1 1 18  0  11 o 328.8787 7.923060 1458.357       69.61813 1548.440      105.0061 1387.704       92.99444 337.8378 11.57390 319.9196 10.82333 -0.000000      0.000000 
1 1 1 18  0  12 o 306.2481 7.409679 1283.871       60.92161 1319.201      86.16405 1248.554       86.14828 310.5464 10.33015 301.9498 10.62551 -0.000000      0.000000 
1 1 1 18  0  13 o 33.73690 15.62155 -5.869050      35.90739 -28.66344     49.96154 18.48410       51.64157 28.83976 19.81118 38.63404 24.15881 -0.000000      0.000000 
1 1 1 18  0  14 o 141.9440 10.67468 294.1695       39.61700 280.8240      55.98152 307.5583       56.07240 138.3168 15.53447 145.5712 14.64498 -0.000000      0.000000 
1 1 1 18  0  15 o 29.22694 14.10670 -21.64064      35.48858 -53.98104     51.35303 7.923813       49.09964 25.01790 17.78070 33.43598 21.90530 -0.000000      0.000000 
1 1 1 18  0  16 o 53.96399 19.94100 84.42417       38.11153 77.46306      53.33756 91.68567       54.47615 51.33679 27.71519 56.59119 28.67826 -0.000000      0.000000 
1 1 1 18  2  0  o 182.5105 3.679265 448.9999       18.07919 439.4713      25.38324 458.8108       25.75651 180.5447 5.221302 184.4763 5.185170 -3.931580      7.358531 
1 1 1 18  2  1  o 283.7943 3.890176 1085.834       29.72568 1086.214      41.82107 1085.446       42.25927 283.8466 5.471774 283.7420 5.531145 0.1045837      7.780352 
1 1 1 18  2  2  o 241.8524 3.769987 788.3563       24.54861 782.5026      34.41810 794.4179       35.02377 240.9401 5.305111 242.7647 5.357892 -1.824615      7.539974 
1 1 1 18  2  3  o 131.3937 4.586504 232.8144       16.15146 263.7030      23.21759 203.8486       22.48333 139.8490 6.165586 122.9383 6.791881 16.91071       9.173009 
1 1 1 18  2  4  o 138.3639 4.555030 258.1111       16.93761 280.0178      24.20830 237.1035       23.70638 144.1211 6.238116 132.6067 6.639211 11.51439       9.110061 
1 1 1 18  2  5  o 304.1350 4.182476 1244.191       34.19726 1293.420      50.10672 1201.267       46.78811 309.7481 6.007641 298.5219 5.820710 11.22626       8.364952 
1 1 1 18  2  6  o 368.7393 4.667454 1835.014       46.33229 1846.810      66.32507 1823.772       64.75080 369.8882 6.659228 367.5905 6.541803 2.297668       9.334908 
1 1 1 18  2  7  o 302.1255 4.319669 1232.316       35.13365 1232.039      50.21912 1232.582       49.17045 302.0834 6.173890 302.1677 6.043281 -0.8432007E-01 8.639338 
1 1 1 18  2  8  o 144.4839 5.292686 283.4826       20.50933 260.1482      29.41973 305.5448       28.60650 138.6400 7.880736 150.3278 7.067112 -11.68782      10.58537 
1 1 1 18  2  9  o 135.0922 6.501291 247.6521       23.63900 240.2727      32.86477 255.5625       34.02668 133.0112 9.176121 137.1733 9.212271 -4.162125      13.00258 
1 1 1 18  2  10 o 119.6330 7.723536 196.6759       24.85300 198.8344      36.07707 194.7265       34.28618 120.2061 11.14606 119.0600 10.69473 1.146118       15.44707 
1 1 1 18  2  11 o 41.20853 13.10067 -20.03422      30.49995 -12.43929     43.02805 -27.70402      43.23962 42.78503 18.92777 39.63205 18.11768 3.152981       26.20135 
1 1 1 18  2  12 o 74.29811 12.57929 82.86049       25.37315 111.2035      36.85823 57.33047       34.98140 86.70621 16.38752 61.89000 19.08936 24.81622       25.15858 
1 1 1 18  2  13 o 114.8271 8.812021 185.9554       26.96965 221.6058      39.06258 153.4821       37.28141 125.7164 11.53946 103.9379 13.32095 21.77855       17.62404 
1 1 1 18  2  14 o 74.43769 13.31019 90.38076       26.71738 94.81898      36.90607 85.49357       38.72789 76.84164 18.12976 72.03374 19.49247 4.807907       26.62038 
1 1 1 18  2  15 o 57.60712 13.98484 58.24318       27.03112 74.91240      37.82122 40.83745       38.64772 64.52187 19.84047 50.69238 19.71444 13.82950       27.96968 
1 1 1 18  2  16 o 45.37286 13.02837 32.47824       26.12429 50.58539      35.57718 11.29080       38.48450 51.23090 19.15504 39.51483 17.66459 11.71606       26.05673 
1 1 1 18  4  0  o 260.8105 3.774865 917.1669       26.50877 921.3688      37.36306 912.9078       37.61636 261.4142 5.307989 260.2068 5.368769 1.207367       7.549730 
1 1 1 18  4  1  o 455.9772 5.208716 2805.714       63.95216 2809.534      90.60245 2801.921       90.28242 456.2854 7.374287 455.6690 7.358179 0.6163635      10.41743 
1 1 1 18  4  2  o 305.5893 4.047803 1259.018       33.30732 1256.144      47.03376 1261.910       47.17387 305.2396 5.722497 305.9391 5.726419 -0.6995239     8.095607 
1 1 1 18  4  3  o 292.8909 4.041201 1156.237       31.86980 1171.960      45.25883 1140.772       44.88491 294.8668 5.700253 290.9150 5.729950 3.951782       8.082401 
1 1 1 18  4  4  o 131.0304 4.798343 231.6878       16.90445 234.9053      23.37292 228.1587       24.47840 131.9913 6.576338 130.0695 6.989145 1.921814       9.596685 
1 1 1 18  4  5  o 534.7770 6.056631 3860.263       87.20601 3889.536      124.3505 3831.932       122.3301 536.7654 8.603591 532.7886 8.526978 3.976807       12.11326 
1 1 1 18  4  6  o 230.0754 4.121984 714.2767       25.53290 720.5487      35.91454 707.8672       36.30661 231.1015 5.771439 229.0492 5.886721 2.052292       8.243967 
1 1 1 18  4  7  o 124.0845 5.840540 208.9660       19.44205 228.9386      27.44070 188.8339       27.55004 130.0874 7.833874 118.0816 8.664759 12.00574       11.68108 
1 1 1 18  4  8  o 52.64265 11.30656 36.72675       18.90891 14.14070      27.38871 57.29650       26.13761 41.90323 16.50811 63.38208 15.45429 -21.47886      22.61311 
1 1 1 18  4  9  o 171.1677 5.762953 397.5175       26.46820 355.6448      37.06436 441.0922       37.81017 161.9099 8.501578 180.4254 7.782651 -18.51546      11.52591 
1 1 1 18  4  10 o 193.3444 8.169346 518.1240       42.53067 0.000000      0.000000 518.1240       42.53067 ?        ?        193.3444 8.169346 ?              ?        
1 1 1 18  4  11 o 104.8253 10.86018 153.8382       30.42336 171.3342      46.65340 140.8929       40.12999 109.8025 15.77929 99.84815 14.92607 9.954391       21.72035 
1 1 1 18  4  12 o 84.75991 11.76345 105.9674       26.33247 167.0671      39.55301 57.32847       35.28999 108.2418 13.57067 61.27804 19.21853 46.96375       23.52690 
1 1 1 18  4  13 o 52.39919 13.83060 33.81913       26.91510 54.35381      39.64848 16.26821       36.65494 59.72870 20.46473 45.06966 18.61012 14.65904       27.66120 
1 1 1 18  4  14 o 106.3132 9.977228 168.8102       28.20500 195.5917      39.74482 141.6396       40.03252 115.7751 12.74918 96.85145 15.35053 18.92361       19.95446 
1 1 1 18  4  15 o 119.3540 8.895277 216.8197       28.26570 248.6469      39.81482 184.4794       40.13456 129.3954 11.42727 109.3127 13.63529 20.08271       17.79055 
1 1 1 18  6  0  o 49.03967 9.265537 33.64458       13.20595 17.70894      19.02850 48.45187       18.34246 39.32763 14.12078 58.75171 12.00018 -19.42409      18.53107 
1 1 1 18  6  1  f 413.0803 4.869212 2301.437       54.15207 2273.528      75.80691 2330.518       77.38258 410.5270 6.857781 415.6336 6.914315 -5.106598      9.738424 
1 1 1 18  6  2  o 237.1339 3.826406 757.6844       24.41680 751.6072      33.86784 764.2619       35.23379 236.1481 5.326226 238.1196 5.495167 -1.971420      7.652812 
1 1 1 18  6  3  o 130.5810 4.758083 228.7496       16.67969 206.4349      22.75197 254.6777       24.52496 123.7283 6.829150 137.4337 6.627225 -13.70535      9.516166 
1 1 1 18  6  4  o 222.2212 3.939828 665.6449       23.57278 674.5587      33.30711 656.6991       33.36686 223.7138 5.529181 220.7286 5.614011 2.985153       7.879655 
1 1 1 18  6  5  o 153.4670 4.605258 317.7797       19.02616 318.8266      27.22270 316.7800       26.60213 153.7106 6.577244 153.2233 6.447750 0.4873047      9.210517 
1 1 1 18  6  6  o 136.0654 5.175510 249.9595       18.91986 227.6792      26.33406 273.7299       27.20043 129.7890 7.535234 142.3419 7.096751 -12.55295      10.35102 
1 1 1 18  6  7  o 413.5965 5.111113 2313.342       56.91825 2324.924      80.19987 2301.588       80.79253 414.6509 7.183029 412.5421 7.273101 2.108887       10.22223 
1 1 1 18  6  8  o 245.5466 4.652100 814.5103       30.74948 789.3352      42.94635 840.9925       44.04720 241.6524 6.600118 249.4408 6.557940 -7.788361      9.304200 
1 1 1 18  6  9  o 349.4875 4.987422 1652.565       46.93298 1643.349      66.06159 1661.956       66.68937 348.5071 7.039699 350.4678 7.066836 -1.960754      9.974845 
1 1 1 18  6  10 o 182.8209 7.362741 452.6831       36.08383 449.3229      48.70333 456.7722       53.72607 182.1249 9.931297 183.5170 10.87240 -1.392044      14.72548 
1 1 1 18  6  11 o 230.2271 5.500539 725.6065       33.99810 789.7675      48.10915 661.5976       48.05205 240.5626 7.427046 219.8917 8.115583 20.67094       11.00108 
1 1 1 18  6  12 o 243.0566 5.417141 810.4026       35.38013 803.4024      51.58935 816.6185       48.61328 241.9144 7.919815 244.1989 7.393120 -2.284592      10.83428 
1 1 1 18  6  13 o 76.44978 12.21527 91.18472       25.56203 121.5405      36.39683 61.63810       35.90847 90.80534 14.88568 62.09422 19.37183 28.71113       24.43054 
1 1 1 18  6  14 o 97.90942 10.14195 145.4664       26.52299 153.1813      36.11751 136.4363       39.07520 101.5490 13.20866 94.26986 15.39377 7.279137       20.28391 
1 1 1 18  6  15 o 43.30059 12.79959 20.62610       25.56993 0.5878540     34.02917 46.61259       38.75211 36.08673 16.32967 50.51445 19.71447 -14.42773      25.59918 
1 1 1 18  8  0  o 157.2597 3.908415 332.9449       16.52967 341.8996      24.09840 324.9882       22.71579 159.2506 5.619839 155.2689 5.433252 3.981674       7.816829 
1 1 1 18  8  1  o 178.2494 3.887431 424.4794       18.57261 470.7016      27.92493 387.8147       24.87084 186.8723 5.549625 169.6265 5.445196 17.24586       7.774863 
1 1 1 18  8  2  o 29.20942 9.079866 -5.318069      13.77847 -5.118571     19.97756 -5.499061      19.02847 29.67694 13.02165 28.74190 12.65751 0.9350376      18.15973 
1 1 1 18  8  3  o 612.8072 6.787815 5072.640       112.0041 5055.256      158.0110 5090.195       158.7872 611.7535 9.592403 613.8609 9.606430 -2.107422      13.57563 
1 1 1 18  8  4  o 418.1553 5.014483 2359.191       56.45849 2373.676      80.28870 2345.021       79.40733 419.4227 7.109173 416.8879 7.073884 2.534760       10.02897 
1 1 1 18  8  5  o 394.8565 4.892279 2105.452       52.01429 2095.283      73.23871 2115.801       73.88416 393.8970 6.905174 395.8161 6.932255 -1.919128      9.784558 
1 1 1 18  8  6  o 244.4933 4.259053 807.1884       28.03839 809.1480      39.54521 805.2074       39.76021 244.7945 5.999414 244.1920 6.046914 0.6024780      8.518106 
1 1 1 18  8  7  o 137.7712 5.382777 255.7388       19.92856 239.1936      27.18715 274.9522       29.29749 132.9761 7.592885 142.5663 7.631857 -9.590210      10.76555 
1 1 1 18  8  8  o 265.0174 4.728213 949.0734       33.72110 993.8055      48.52140 907.2850       46.89771 271.0583 6.647941 258.9765 6.725242 12.08182       9.456427 
1 1 1 18  8  9  o 203.4660 5.420394 571.0651       29.67608 578.3337      41.37841 563.3665       42.58418 204.9025 7.499687 202.0295 7.827987 2.873001       10.84079 
1 1 1 18  8  10 o 80.22517 12.52431 98.20974       28.58743 151.6805      39.33603 38.35551       41.61788 104.3317 14.00203 56.11867 20.76961 48.21300       25.04862 
1 1 1 18  8  11 o 60.34373 13.57686 50.94416       26.36186 24.62500      35.78119 82.19135       38.98741 48.01406 18.88351 72.67341 19.51249 -24.65934      27.15372 
1 1 1 18  8  12 o 192.1033 6.139953 507.1588       31.56109 492.4360      42.08382 526.0832       47.71245 189.1477 8.262865 195.0588 9.084116 -5.911118      12.27991 
1 1 1 18  8  13 o 113.6473 8.628222 186.7077       26.36152 194.7501      36.90498 178.3291       37.66839 116.4143 11.77322 110.8804 12.61650 5.533958       17.25644 
1 1 1 18  8  14 o 51.17862 12.55774 34.19135       26.18837 79.12788      35.78508 -17.62765      38.42790 67.06676 18.96797 35.29048 16.46218 31.77628       25.11548 
1 1 1 18  8  15 o 55.67419 13.62424 62.05141       26.31483 78.69440      35.12141 40.75041       39.73346 63.61330 19.02778 47.73508 19.50442 15.87822       27.24847 
1 1 1 18  10 0  o 284.3337 3.925879 1089.674       30.05600 1079.343      42.53051 1099.982       42.48074 282.9857 5.581524 285.6817 5.522380 -2.696014      7.851758 
1 1 1 18  10 1  o 603.2267 6.671332 4913.938       108.3597 4933.547      153.8349 4894.628       152.6594 604.4177 9.452230 602.0357 9.417114 2.381958       13.34266 
1 1 1 18  10 2  o 259.9456 3.902234 908.8258       27.28302 953.2147      39.74002 869.2509       37.52337 265.9352 5.549692 253.9560 5.487316 11.97919       7.804468 
1 1 1 18  10 3  o 84.11893 6.922223 96.91880       15.38431 75.54101      21.76554 118.2619       21.74788 74.68831 10.82265 93.54956 8.633596 -18.86125      13.84445 
1 1 1 18  10 4  o 209.4481 4.031183 589.7391       22.68470 561.1190      30.85230 623.4203       33.46929 203.9426 5.618186 214.9536 5.782536 -11.01099      8.062366 
1 1 1 18  10 5  o 284.7866 4.251415 1092.912       32.55709 1136.480      47.58010 1054.553       44.64528 290.1018 6.091041 279.4713 5.932734 10.63052       8.502830 
1 1 1 18  10 6  o 388.8148 4.936700 2043.195       51.68134 2012.414      72.65982 2074.714       73.52477 385.8486 6.993490 391.7810 6.969585 -5.932343      9.873400 
1 1 1 18  10 7  o 240.0244 4.950156 779.8857       31.98454 795.8152      45.05956 763.7086       45.40839 242.5131 6.900305 237.5358 7.099433 4.977310       9.900311 
1 1 1 18  10 8  o 356.3699 5.270709 1740.288       50.57265 1755.443      72.09851 1725.610       70.95622 357.8734 7.481928 354.8664 7.425782 3.006927       10.54142 
1 1 1 18  10 9  o 230.6351 6.535348 722.6785       40.37024 746.6720      54.90227 694.4348       59.56685 234.8953 8.680259 226.3748 9.772217 8.520416       13.07070 
1 1 1 18  10 10 f 49.65849 13.87410 24.38199       27.06112 27.15877      34.55974 19.98126       43.50727 49.19257 18.76939 50.12439 20.43705 -0.9318199     27.74820 
1 1 1 18  10 11 o 41.87098 12.83930 -0.5247573     27.48669 15.16884      35.92875 -22.67222      42.68180 44.94865 18.47724 38.79330 17.83205 6.155346       25.67860 
1 1 1 18  10 12 o 255.5978 5.551333 894.5968       37.77691 846.7192      49.32471 962.5264       58.75275 247.7943 7.392474 263.4013 8.283750 -15.60695      11.10267 
1 1 1 18  10 13 o 186.5793 6.440523 488.7594       31.59026 474.4055      40.30182 511.6312       50.87323 183.9787 8.135303 189.1800 9.986899 -5.201340      12.88105 
1 1 1 18  10 14 o 92.98569 11.72353 155.7651       26.87046 185.6828      34.83314 111.8001       42.22626 110.3128 11.72690 75.65858 20.30379 34.65420       23.44705 
1 1 1 18  12 0  o 277.5382 3.899725 1036.329       29.09029 1067.417      42.68166 1009.360       39.75396 281.4118 5.632687 273.6647 5.394835 7.747101       7.799449 
1 1 1 18  12 1  o 310.9703 4.150805 1303.702       34.75544 1309.238      49.03913 1298.115       49.26488 311.6354 5.844031 310.3052 5.896102 1.330231       8.301610 
1 1 1 18  12 2  o 368.3276 4.566902 1829.733       45.26902 1876.868      65.35653 1786.265       62.76236 372.8758 6.509407 363.7795 6.407339 9.096344       9.133803 
1 1 1 18  12 3  o 107.8900 5.301315 157.1922       15.37262 159.9098      22.51372 154.8186       21.04125 108.7514 7.688277 107.0285 7.301106 1.722855       10.60263 
1 1 1 18  12 4  o 335.4090 4.469846 1519.693       40.36787 1518.952      56.84871 1520.446       57.33195 335.3311 6.295981 335.4870 6.346550 -0.1558838     8.939692 
1 1 1 18  12 5  o 111.5258 6.625546 167.8387       19.78397 144.3547      27.03981 194.8935       29.02284 103.1398 9.736298 119.9117 8.988658 -16.77190      13.25109 
1 1 1 18  12 6  o 325.4662 4.938509 1433.354       43.26345 1427.887      60.30811 1439.151       62.09869 324.8482 6.894645 326.0843 7.072437 -1.236115      9.877018 
1 1 1 18  12 7  o 140.5079 7.254944 278.2366       26.66269 281.2484      34.06226 273.4715       42.84406 142.2221 8.894531 138.7936 11.46404 3.428436       14.50989 
1 1 1 18  12 8  o 205.0286 7.266174 562.3832       39.54880 527.8156      51.15753 613.7301       62.34932 197.3902 9.624997 212.6670 10.88800 -15.27686      14.53235 
1 1 1 18  12 9  o 176.2865 6.774860 426.7210       31.31398 427.0817      40.01023 426.1508       50.30657 176.7740 8.405613 175.7990 10.62735 0.9750214      13.54972 
1 1 1 18  12 10 o 250.3454 5.743975 864.5557       37.97332 881.8960      49.42420 839.5709       59.32655 253.9342 7.228282 246.7566 8.928881 7.177628       11.48795 
1 1 1 18  12 11 o 134.3929 8.422894 271.4886       28.29482 307.4611      35.79323 211.5593       46.19925 148.5845 8.946314 120.2013 14.27389 28.38319       16.84579 
1 1 1 18  12 12 o 181.0353 6.779572 464.7505       31.64360 465.3369      39.54533 463.7066       52.76109 182.5406 8.045486 179.5300 10.91424 3.010590       13.55914 
1 1 1 18  12 13 f 52.05452 14.13153 48.45995       27.20268 49.26716      33.29795 46.84018       47.16861 52.44819 18.69559 51.66084 21.19612 0.7873497      28.26306 
1 1 1 18  14 0  o 126.8617 3.989412 217.0144       13.53479 217.9305      20.38476 216.2921       18.10038 127.0865 5.956934 126.6369 5.308162 0.4496536      7.978825 
1 1 1 18  14 1  o 92.31795 5.661730 114.6231       13.64448 117.8193      22.35051 112.7242       17.22716 93.28992 8.897526 91.34599 7.003912 1.943932       11.32346 
1 1 1 18  14 2  o 162.6371 4.009703 357.0240       17.55861 359.3178      24.99401 354.7888       24.67236 163.1514 5.689337 162.1228 5.651753 1.028656       8.019405 
1 1 1 18  14 3  o 202.8269 4.128295 555.4271       22.54619 556.5825      31.98579 554.2863       31.78540 203.0353 5.850624 202.6184 5.825931 0.4168549      8.256590 
1 1 1 18  14 4  o 271.4305 4.621967 996.4245       33.72250 1001.079      46.40976 991.2178       49.08418 272.1375 6.333409 270.7234 6.733369 1.414124       9.243935 
1 1 1 18  14 5  o 234.9988 4.954618 743.7155       31.08582 721.8977      41.09718 772.8901       47.52369 231.0534 6.605660 238.9443 7.386354 -7.890823      9.909237 
1 1 1 18  14 6  o 279.9340 5.613776 1074.062       41.44323 1103.105      53.88180 1031.991       64.84956 284.9472 7.022541 274.9207 8.760243 10.02655       11.22755 
1 1 1 18  14 7  o 203.2469 7.545410 577.8064       37.86018 598.2723      45.74828 533.3257       67.44444 209.7926 8.098436 196.7011 12.73374 13.09155       15.09082 
1 1 1 18  14 8  o 160.7918 8.114491 375.4561       31.76198 401.3063      38.43762 319.8078       56.39625 171.1355 8.341288 150.4481 13.92131 20.68735       16.22898 
1 1 1 18  14 9  o 41.30000 13.12756 -23.43569      27.43498 -40.63124     32.18499 22.26675       52.47047 29.50617 14.13990 53.09382 22.12227 -23.58765      26.25513 
1 1 1 18  14 10 o 177.7732 7.076618 439.5840       31.12037 432.9130      37.21435 455.0986       56.75238 176.9973 7.808371 178.5490 11.80438 -1.551712      14.15324 
1 1 1 18  14 11 o 71.21115 13.94982 82.01062       24.86027 77.66447      28.42087 96.16920       51.29732 70.23805 15.44745 72.18426 23.23286 -1.946205      27.89963 
1 1 1 18  14 12 o 107.0949 10.94605 186.7774       27.99289 189.8434      33.96618 180.2859       49.42371 113.0001 11.16309 101.1897 18.83214 11.81047       21.89210 
1 1 1 18  16 0  o 215.9112 5.897999 625.9164       25.64914 623.2003      28.10122 639.4740       62.78266 214.9349 4.855509 216.8875 10.75033 -1.952545      11.79600 
1 1 1 18  16 1  o 63.71715 8.519008 57.62236       14.10644 71.58292      19.61485 42.66664       20.30192 72.61877 10.03120 54.81553 13.77204 17.80324       17.03802 
1 1 1 18  16 2  o 228.2484 4.375181 703.9860       26.76511 703.1899      36.14562 704.9524       39.82438 228.1469 5.883797 228.3499 6.476864 -0.2029572     8.750362 
1 1 1 18  16 3  o 426.4529 5.539738 2446.566       63.08394 2337.079      83.23505 2594.342       96.69975 415.4532 7.440475 437.4525 8.209393 -21.99927      11.07948 
1 1 1 18  16 4  o 140.3458 7.525988 259.6971       26.09705 232.7979      30.64276 330.7257       49.79369 129.1649 8.810490 151.5267 12.20398 -22.36185      15.05198 
1 1 1 18  16 5  o 311.2260 6.426600 1220.659       49.14750 1105.799      57.47710 1533.044       94.78846 286.1128 7.460608 336.3393 10.46633 -50.22656      12.85320 
1 1 1 18  16 6  o 208.4559 7.216309 602.2194       34.37700 601.9666      39.38784 603.0277       70.42873 209.9870 6.966045 206.9248 12.64020 3.062241       14.43262 
1 1 1 18  16 7  o 52.19162 15.05064 24.09828       26.68941 20.49179      29.36663 41.21644       63.97938 43.90744 17.15469 60.47579 24.73466 -16.56835      30.10128 
1 1 1 18  16 8  o 168.3758 8.135870 393.5536       31.01572 389.7947      35.33764 406.1626       64.72164 168.5130 7.787904 168.2385 14.28699 0.2745514      16.27174 
1 1 1 18  16 9  o 152.8556 8.440308 311.5168       29.83447 290.3294      33.90585 384.1875       62.79362 144.3476 8.723314 161.3636 14.45195 -17.01599      16.88062 
1 1 1 18  16 10 f 134.5335 9.782722 266.0135       28.10977 261.9988      31.43022 282.0590       62.83502 136.4504 8.554392 132.6165 17.59628 3.833893       19.56544 
1 1 1 18  16 11 o 78.86195 13.15472 107.8395       25.74588 99.71750      30.72947 126.9679       47.15876 77.55368 15.25881 80.17022 21.43257 -2.616539      26.30943 
1 1 1 18  18 0  o 156.0407 12.76825 338.5077       53.01288 411.1422      77.22278 273.7663       72.90636 172.2366 16.65086 139.8448 19.36135 32.39180       25.53650 
1 1 1 18  18 1  o 225.6189 6.959904 566.4808       26.66608 535.4376      27.99493 870.3795       87.59129 199.1432 5.220723 252.0947 12.90369 -52.95152      13.91981 
1 1 1 18  18 2  o 149.2591 12.09033 309.9957       24.98940 307.0235      25.93893 348.3780       93.21259 150.0269 6.420953 148.4913 23.31257 1.535599       24.18067 
1 1 1 18  18 3  o 143.5941 14.76801 266.0192       27.87501 262.4182      28.82627 317.8950       109.4099 139.3593 7.681909 147.8288 28.51954 -8.469482      29.53601 
1 1 1 18  18 4  o 165.3172 11.13518 357.4791       27.41018 348.8976      28.55356 458.2388       97.84134 159.7006 6.640033 170.9338 21.25744 -11.23318      22.27036 
1 1 1 18  18 5  o 94.64917 15.44158 140.8324       23.98226 141.1656      25.07199 137.2481       82.23967 101.0764 9.212032 88.22190 29.47725 12.85455       30.88317 
1 1 1 18  18 6  o 110.6934 14.31689 175.2234       24.81645 172.2449      26.09755 203.3452       80.19161 111.8684 8.663812 109.5184 27.29161 2.350014       28.63378 
1 1 1 18  18 7  o 83.35342 15.17982 103.2613       25.08086 99.85827      26.65918 129.4748       73.99088 83.67194 11.83269 83.03489 27.95882 0.6370544      30.35965 
1 1 1 18  18 8  o 94.04848 15.64746 145.8559       26.74861 143.9066      28.28130 162.3925       82.37098 100.5331 10.44737 87.56382 29.49957 12.96931       31.29493 
1 1 1 18  18 9  o 103.7838 14.32546 188.5906       26.33287 189.0529      28.28914 185.5903       72.06420 115.1296 9.125346 92.43801 27.15886 22.69161       28.65092 
1 1 1 18  18 10 o 183.6629 7.138366 477.5188       35.30236 477.5188      35.30236 0.000000       0.000000 183.6629 7.138366 ?        ?        ?              ?        
1 1 1 18  20 0  o 181.8499 14.98183 459.5244       72.22752 364.0991      100.8098 560.1788       103.5350 161.8908 23.12581 201.8089 19.05301 -39.91806      29.96365 
1 1 1 18  20 1  o 49.01768 16.57337 -75.30698      61.88450 -62.00221     86.11980 -89.51221      88.98638 49.98060 23.72038 48.05476 23.15275 1.925838       33.14674 
1 1 1 18  20 2  o 164.4728 13.61424 393.4395       60.11755 404.8526      82.84597 380.7451       87.37262 167.5362 18.36451 161.4094 20.10311 6.126801       27.22848 
1 1 1 18  20 3  o 136.8486 10.26931 248.6455       13.13999 247.2679      13.34445 292.5688       75.35130 135.2251 3.664883 138.4722 20.20899 -3.247162      20.53861 
1 1 1 18  20 4  o 172.8899 9.289225 430.0502       25.16889 431.8720      26.51527 413.4661       80.00156 178.2857 5.523266 167.4941 17.73844 10.79160       18.57845 
1 1 1 18  20 5  o 128.4393 12.39690 250.8781       15.39007 250.9012      15.70907 250.3251       76.75723 135.9834 4.290237 120.8952 24.41980 15.08814       24.79381 
1 1 1 18  20 6  o 44.32976 13.86013 5.208035       15.03368 2.546298      15.43344 54.60035       66.48289 27.97476 11.84728 60.68475 25.06102 -32.70999      27.72026 
1 1 1 18  20 7  o 66.43907 13.77312 67.12047       16.35714 66.11176      16.83565 84.11228       69.09833 68.19919 9.167847 64.67896 25.97588 3.520233       27.54625 
1 1 1 18  20 8  o 67.83942 11.08308 112.2434       18.93162 122.4318      19.62221 -24.90674      71.99338 92.72953 7.858624 42.94932 20.72634 49.78021       22.16617 
1 1 1 18  22 0  o 191.2255 11.35720 542.9265       57.14803 455.8498      84.90810 615.0411       77.26984 175.0444 18.01431 207.4066 13.83579 -32.36226      22.71441 
1 1 1 18  22 1  o 140.0090 14.60745 296.6211       54.92484 308.4316      81.17791 286.6497       74.59044 142.1462 21.20895 137.8718 20.09206 4.274429       29.21490 
1 1 1 18  22 2  o 71.51944 19.53607 84.84710       53.46769 98.18169      77.40012 72.67563       73.94746 74.81738 28.19831 68.22150 27.04601 6.595879       39.07214 
1 1 1 18  22 3  o 155.6268 13.22617 371.8364       54.93963 326.5912      72.22287 433.9748       84.63858 144.7897 18.52481 166.4640 18.88272 -21.67432      26.45233 
1 1 1 18  22 4  o 54.22617 17.07684 19.32308       49.93319 -2.265294     65.81139 48.61157       76.65483 48.72895 22.30431 59.72339 25.86487 -10.99444      34.15368 
1 1 1 18  22 5  o 76.02258 12.90884 121.2911       15.04760 124.2638      15.36501 51.56063       74.41528 94.87518 6.014463 57.16998 25.10735 37.70520       25.81768 
1 1 1 18  22 6  o 104.3948 14.00484 174.7785       16.32929 171.9885      16.72977 230.9700       75.07955 111.3831 5.578113 97.40662 27.44863 13.97645       28.00968 
1 1 1 18  24 0  o 105.0221 17.10407 187.7444       47.24500 255.4113      74.71710 142.6657       60.98421 121.3065 23.72452 88.73766 24.64434 32.56882       34.20813 
1 1 1 18  24 1  o 241.6289 9.444566 866.2731       61.43140 888.0754      86.88544 844.4791       86.86880 244.9769 13.17160 238.2809 13.53914 6.695984       18.88913 
1 1 1 18  24 2  o 39.76312 13.70482 -67.46001      47.73269 -49.17578     64.87706 -89.03801      70.47878 40.82384 19.69421 38.70240 19.06376 2.121445       27.40964 
1 1 1 18  24 3  o 44.20897 14.67582 -14.57790      45.99033 33.39711      64.01859 -65.74213      66.11223 50.30550 22.61396 38.11243 18.71169 12.19307       29.35163 
1 1 1 18  24 4  o 44.18171 14.78692 3.142750       46.77422 14.21125      66.40835 -7.754350      65.89215 45.63079 21.40045 42.73262 20.41159 2.898170       29.57384 
1 1 1 18  26 0  o 43.30930 14.73471 -20.89004      52.09779 -75.17665     79.42528 20.10483       69.02035 39.52056 19.60614 47.09804 22.00105 -7.577484      29.46942 
1 1 1 18  26 1  o 55.29789 16.69637 67.68401       46.46869 23.61955      66.72115 109.1913       64.75619 46.83273 21.79457 63.76305 25.29963 -16.93032      33.39273 
1 1 1 19  1  0  o 441.6469 5.102369 2631.877       60.67788 2632.007      85.79785 2631.748       85.82512 441.6579 7.214513 441.6358 7.217167 0.2209473E-01  10.20474 
1 1 1 19  1  1  o 123.0285 4.860405 203.6269       16.07433 188.3866      22.13524 220.6308       23.38095 118.1685 6.956632 127.8884 6.789656 -9.719841      9.720810 
1 1 1 19  1  2  o 212.3021 3.920275 606.8597       22.39608 590.3306      30.99638 624.9149       32.39560 209.2825 5.500407 215.3218 5.587463 -6.039337      7.840549 
1 1 1 19  1  3  f 399.6651 4.816420 2152.087       51.80700 2094.951      71.89458 2213.801       74.71935 394.1555 6.774000 405.1747 6.848688 -11.01923      9.632840 
1 1 1 19  1  4  o 196.4531 4.136568 519.7368       21.87085 540.6260      31.48695 500.2626       30.40168 200.2640 5.839081 192.6422 5.860880 7.621796       8.273136 
1 1 1 19  1  5  o 97.85541 6.665788 129.9087       17.52586 122.1566      25.05504 137.3358       24.52412 94.96923 9.797804 100.7416 9.040684 -5.772354      13.33158 
1 1 1 19  1  6  o 281.3315 4.228888 1067.655       31.99722 1085.142      46.55293 1051.996       44.05234 283.4980 6.098366 279.1649 5.860365 4.333099       8.457775 
1 1 1 19  1  7  o 179.4955 4.722835 435.5630       22.79421 432.2855      33.06018 438.5328       31.47033 178.8326 6.865547 180.1584 6.487290 -1.325821      9.445669 
1 1 1 19  1  8  o 125.3447 7.115736 213.9097       23.99538 217.6004      33.42534 209.9853       34.46786 126.4933 9.813521 124.1962 10.30678 2.297150       14.23147 
1 1 1 19  1  9  o 308.4665 4.868753 1293.808       40.43926 1302.611      57.23176 1285.031       57.14783 309.5225 6.866912 307.4105 6.903952 2.112000       9.737507 
1 1 1 19  1  10 o 195.6903 6.923609 519.4343       36.45019 542.4124      51.41174 496.2103       51.68607 200.0779 9.542887 191.3027 10.03388 8.775177       13.84722 
1 1 1 19  1  11 o 66.45543 13.05319 67.12641       24.59871 80.46360      33.97216 52.42673       35.66524 73.15588 17.48413 59.75499 19.38680 13.40089       26.10638 
1 1 1 19  1  12 o 281.6025 5.151113 1084.180       39.04266 1042.334      54.49762 1128.303       55.96077 275.9940 7.333216 287.2111 7.236008 -11.21713      10.30223 
1 1 1 19  1  13 o 129.6649 8.138468 240.3540       28.39887 251.5014      40.53970 229.6124       39.79480 132.7249 11.34344 126.6050 11.67326 6.119835       16.27694 
1 1 1 19  1  14 o 39.36537 12.26116 5.452150       25.26298 8.655079      36.40637 2.477541       35.08477 40.42205 17.66133 38.30869 17.01238 2.113361       24.52231 
1 1 1 19  1  15 o 55.59850 14.17480 61.91271       27.30294 50.91245      37.37344 74.50269       39.98289 51.26924 19.52884 59.92776 20.55053 -8.658524      28.34960 
1 1 1 19  3  0  o 191.4133 3.826283 494.0500       19.70790 471.9924      27.81472 516.2875       27.92797 187.1167 5.520504 195.7098 5.299603 -8.593170      7.652566 
1 1 1 19  3  1  o 181.2621 4.032157 443.0714       19.67466 433.9740      27.94258 452.0162       27.70724 179.4128 5.784019 183.1115 5.619457 -3.698624      8.064315 
1 1 1 19  3  2  o 268.8843 3.952537 973.9036       28.60680 994.2286      41.13464 954.8666       39.81012 271.5978 5.624682 266.1708 5.554560 5.427032       7.905074 
1 1 1 19  3  3  o 240.9313 3.964247 781.9753       25.71077 765.2692      35.84610 799.6763       36.89775 238.2833 5.586823 243.5792 5.625695 -5.295944      7.928495 
1 1 1 19  3  4  o 217.0252 4.071138 634.9725       23.78665 638.5059      33.38263 631.3284       33.90219 217.6414 5.696337 216.4090 5.817939 1.232391       8.142277 
1 1 1 19  3  5  o 387.1604 4.815962 2023.897       50.20592 2015.913      70.86466 2031.943       71.13991 386.3937 6.811085 387.9271 6.810513 -1.533325      9.631925 
1 1 1 19  3  6  o 103.0895 6.738716 144.1189       18.69018 151.9343      26.59643 136.4940       26.27041 105.8661 9.330029 100.3129 9.725827 5.553185       13.47743 
1 1 1 19  3  7  o 37.11675 10.86241 3.209712       18.33574 15.13901      25.09692 -10.44782      26.85339 41.08958 15.91253 33.14392 14.79051 7.945660       21.72482 
1 1 1 19  3  8  o 167.1824 5.950333 378.1029       26.74775 353.1435      36.80831 406.0303       38.93530 161.3435 8.472490 173.0213 8.357199 -11.67776      11.90067 
1 1 1 19  3  9  o 136.5703 7.456147 265.0181       27.38076 276.6696      38.40577 252.9743       39.04666 139.8531 10.19861 133.2874 10.87956 6.565613       14.91229 
1 1 1 19  3  10 o 124.5072 10.84234 223.5047       32.86650 323.1208      47.46507 131.7475       45.55429 153.6081 11.47563 95.40623 18.39932 58.20189       21.68467 
1 1 1 19  3  11 o 62.54427 18.71474 59.64346       33.97078 0.000000      0.000000 59.64346       33.97078 ?        ?        62.54427 18.71474 ?              ?        
1 1 1 19  3  12 o 110.5558 8.924844 174.6276       26.30919 155.9361      38.40458 191.1564       36.11454 104.4651 13.65301 116.6466 11.49812 -12.18143      17.84969 
1 1 1 19  3  13 o 91.04572 11.58355 129.5489       27.15126 92.47894      38.21650 167.3302       38.58147 75.22205 18.89333 106.8694 13.40732 -31.64732      23.16709 
1 1 1 19  3  14 o 53.79490 14.14392 49.80822       27.37620 46.92116      38.64705 52.71591       38.78490 52.70302 19.91057 54.88678 20.09405 -2.183754      28.28783 
1 1 1 19  3  15 o 45.23047 13.23686 31.29198       26.74411 15.87664      36.70471 48.73816       39.04770 40.16254 17.63580 50.29840 19.74427 -10.13586      26.47372 
1 1 1 19  5  0  f 208.7508 3.850750 586.5144       21.62705 610.9719      31.36807 564.3547       29.85830 212.8911 5.472012 204.6106 5.419428 8.280426       7.701501 
1 1 1 19  5  1  o 550.5114 6.140029 4090.423       90.99712 4147.866      130.3329 4035.789       127.1065 554.2725 8.732675 546.7502 8.633667 7.522217       12.28006 
1 1 1 19  5  2  o 320.1105 4.246234 1380.839       36.59377 1405.737      52.36811 1357.079       51.15599 322.9284 6.022507 317.2925 5.987607 5.635834       8.492469 
1 1 1 19  5  3  o 389.2727 4.768993 2043.298       49.98508 2070.519      71.09211 2016.686       70.29381 391.8370 6.738024 386.7084 6.750720 5.128601       9.537987 
1 1 1 19  5  4  o 112.1183 5.966054 170.6288       17.69981 131.8406      24.53837 212.6983       25.55521 98.73502 9.229774 125.5016 7.562175 -26.76657      11.93211 
1 1 1 19  5  5  o 34.58919 10.15968 -4.636060      17.09095 -26.41823     23.85936 18.31961       24.49363 26.89600 12.68053 42.28238 15.87705 -15.38637      20.31936 
1 1 1 19  5  6  o 65.67034 10.53876 61.24471       18.22115 68.01720      26.37154 55.05802       25.20521 69.20348 14.61078 62.13721 15.19168 7.066265       21.07752 
1 1 1 19  5  7  f 231.4194 4.800934 724.0699       29.90584 729.2016      41.82851 718.7038       42.77382 232.2722 6.687930 230.5667 6.889665 1.705551       9.601869 
1 1 1 19  5  8  o 231.2218 4.912704 722.9802       30.57874 739.0562      43.85802 707.7729       42.65673 233.7184 6.969038 228.7253 6.926121 4.993103       9.825408 
1 1 1 19  5  9  o 39.85085 12.65418 -17.33509      28.26375 -20.69639     41.12895 -14.32738      38.90561 39.78351 17.98204 39.91818 17.80897 -0.1346741     25.30836 
1 1 1 19  5  10 o 322.7338 7.481435 1437.274       65.01488 0.000000      0.000000 1437.274       65.01488 ?        ?        322.7338 7.481435 ?              ?        
1 1 1 19  5  11 o 146.0043 7.062609 296.5166       27.70971 291.7906      40.28687 300.7597       38.17338 144.7369 10.33715 147.2717 9.626270 -2.534775      14.12522 
1 1 1 19  5  12 o 72.43777 13.11381 82.94095       25.59482 79.02314      34.50002 87.73681       38.17078 70.77600 18.04731 74.09953 19.03110 -3.323532      26.22762 
1 1 1 19  5  13 o 88.96803 11.74763 125.0508       27.19061 94.50410      38.13282 156.6465       38.78207 75.47161 18.82670 102.4645 14.05641 -26.99285      23.49526 
1 1 1 19  5  14 o 48.49487 12.97738 27.66621       26.96217 -14.70066     37.46176 73.19814       38.83587 34.84997 16.25576 62.13976 20.23363 -27.28978      25.95476 
1 1 1 19  7  0  o 253.4634 3.919193 863.4345       26.70967 814.3240      36.64220 919.1136       39.01579 245.7955 5.536357 261.1313 5.548788 -15.33574      7.838386 
1 1 1 19  7  1  o 195.2809 3.902305 514.2500       20.50669 502.5860      29.29989 525.4496       28.71077 193.1048 5.634944 197.4570 5.399940 -4.352264      7.804611 
1 1 1 19  7  2  o 442.4830 5.181105 2634.015       61.61366 2532.493      84.04585 2751.966       90.59160 433.3047 7.203431 451.6613 7.448891 -18.35660      10.36221 
1 1 1 19  7  3  o 245.6089 4.056612 812.0887       26.80474 841.0891      38.91609 785.9109       36.97370 249.7720 5.786314 241.4458 5.687087 8.326218       8.113223 
1 1 1 19  7  4  o 178.5801 4.401491 429.9386       21.15287 444.9614      30.54322 416.0917       29.32339 181.5731 6.247123 175.5871 6.202093 5.986023       8.802982 
1 1 1 19  7  5  f 276.5681 4.223524 1032.733       31.45261 1027.868      44.37476 1037.644       44.58743 275.9136 5.972821 277.2227 5.973107 -1.309021      8.447047 
1 1 1 19  7  6  o 339.8235 4.685475 1558.967       42.83910 1528.219      59.18872 1592.795       62.08205 336.3240 6.535783 343.3229 6.715523 -6.998901      9.370951 
1 1 1 19  7  7  o 205.3175 5.134581 571.3204       28.34251 534.9961      40.09639 607.5939       40.06834 198.7514 7.492240 211.8837 7.022965 -13.13228      10.26916 
1 1 1 19  7  8  o 105.7567 8.329208 156.7227       23.71629 155.3712      33.68740 158.0508       33.39431 105.2673 11.88476 106.2459 11.67285 -0.9785995     16.65842 
1 1 1 19  7  9  o 128.5405 9.182878 224.8215       31.65089 253.8223      45.66739 198.0137       43.90676 136.5731 12.41817 120.5079 13.53108 16.06516       18.36576 
1 1 1 19  7  10 o 77.69852 12.66268 90.64294       26.04389 77.79475      36.61086 103.8058       37.05644 71.73303 18.74608 83.66402 17.02817 -11.93098      25.32537 
1 1 1 19  7  11 o 124.5701 8.339844 217.4518       27.96659 211.5534      39.04833 223.6638       40.07302 122.8316 11.80617 126.3085 11.78246 -3.476913      16.67969 
1 1 1 19  7  12 o 82.97331 12.20990 107.9900       26.36018 110.4731      36.36242 105.2397       38.26841 84.44862 16.58287 81.49801 17.92583 2.950607       24.41981 
1 1 1 19  7  13 o 136.5568 7.677007 269.4737       28.16551 261.0927      38.35754 279.2798       41.49081 134.4901 10.59198 138.6236 11.11556 -4.133484      15.35401 
1 1 1 19  7  14 o 39.78662 12.41940 13.29793       26.04317 15.51823      35.30905 10.64893       38.56749 39.94704 17.42507 39.62620 17.70121 0.3208351      24.83880 
1 1 1 19  9  0  o 454.2056 5.276470 2779.756       64.47251 2850.521      93.62954 2715.947       88.90929 459.6848 7.564310 448.7263 7.358380 10.95853       10.55294 
1 1 1 19  9  1  f 555.8332 6.219417 4169.180       93.05126 4241.683      133.7757 4101.220       129.5164 560.5005 8.863753 551.1659 8.726882 9.334595       12.43883 
1 1 1 19  9  2  o 505.0975 5.773372 3444.528       78.51758 3433.315      110.4211 3455.995       111.6707 504.2718 8.132122 505.9231 8.197310 -1.651276      11.54674 
1 1 1 19  9  3  o 624.9139 6.964163 5289.548       117.1822 5268.272      165.0210 5311.188       166.4293 623.6549 9.826786 626.1730 9.870792 -2.518127      13.92833 
1 1 1 19  9  4  o 357.0262 4.637632 1721.365       44.57609 1680.537      62.41356 1763.875       63.68592 352.7040 6.571813 361.3484 6.545366 -8.644318      9.275265 
1 1 1 19  9  5  o 249.1492 4.370033 838.1389       29.30747 828.2030      40.82219 848.7072       42.10143 247.6333 6.122149 250.6650 6.237633 -3.031677      8.740067 
1 1 1 19  9  6  o 397.2208 5.185778 2136.098       55.46587 2127.219      78.46196 2144.969       78.41923 396.3904 7.351106 398.0512 7.316448 -1.660767      10.37156 
1 1 1 19  9  7  o 376.7540 5.192883 1922.295       52.67166 1875.090      73.85639 1971.152       75.13810 372.0394 7.372518 381.4686 7.315063 -9.429199      10.38577 
1 1 1 19  9  8  f 356.4134 7.974495 1716.780       76.53157 0.000000      0.000000 1716.780       76.53157 ?        ?        356.4134 7.974495 ?              ?        
1 1 1 19  9  9  o 124.1472 8.075207 214.7339       26.79344 183.5521      37.53553 247.1277       38.25810 114.6758 12.15590 133.6185 10.63343 -18.94264      16.15041 
1 1 1 19  9  10 o 83.28212 11.54941 104.2823       24.93907 109.6589      34.57594 98.45182       36.00586 85.97540 15.50585 80.58884 17.12088 5.386566       23.09883 
1 1 1 19  9  11 o 44.50833 13.19876 13.09823       26.81490 3.533765      36.87493 23.83179       39.06364 41.10130 17.86964 47.91536 19.42948 -6.814060      26.39751 
1 1 1 19  9  12 o 64.97552 13.19100 65.46626       26.94647 26.86000      36.28485 112.9405       40.23699 46.93275 18.83238 83.01829 18.47570 -36.08554      26.38201 
1 1 1 19  9  13 o 109.9476 9.598852 187.8253       27.84182 191.5327      36.38018 182.5845       43.25471 112.8593 11.97138 107.0359 15.00793 5.823410       19.19770 
1 1 1 19  11 0  o 123.7560 4.965035 203.8696       16.36407 224.3223      25.50113 189.5520       21.33640 128.9532 7.344187 118.5587 6.683504 10.39451       9.930071 
1 1 1 19  11 1  o 166.9795 4.075616 376.0254       18.32236 381.7616      26.17485 370.5141       25.65640 168.2270 5.778366 165.7320 5.749181 2.495071       8.151233 
1 1 1 19  11 2  o 102.0894 5.882219 141.4490       16.10538 133.9290      23.44581 148.1676       22.16131 99.48651 8.752209 104.6923 7.861353 -5.205803      11.76444 
1 1 1 19  11 3  o 324.9576 4.456963 1425.479       38.97902 1449.997      56.19448 1402.743       54.11370 327.6382 6.369654 322.2771 6.235830 5.361023       8.913925 
1 1 1 19  11 4  o 138.8874 5.227894 261.3406       19.48193 254.7653      28.57688 267.0503       26.62933 137.2229 7.734008 140.5518 7.036235 -3.328888      10.45579 
1 1 1 19  11 5  o 41.81142 11.82719 12.11394       20.35805 5.009799      29.20979 18.82444       28.38902 39.41794 16.47181 44.20490 16.97672 -4.786964      23.65438 
1 1 1 19  11 6  o 246.1644 4.947867 820.3168       32.79619 815.8469      46.31804 824.8111       46.44386 245.4901 7.007012 246.8388 6.987656 -1.348694      9.895734 
1 1 1 19  11 7  o 203.3979 6.730921 559.9681       36.85398 554.3176      51.41775 565.9379       52.85058 202.3527 9.436710 204.4430 9.600505 -2.090332      13.46184 
1 1 1 19  11 8  o 64.97381 19.73842 66.88087       37.57930 66.88087      37.57930 0.000000       0.000000 64.97381 19.73842 ?        ?        ?              ?        
1 1 1 19  11 9  o 206.6397 6.061716 586.3787       33.35632 573.7095      43.83320 603.8093       51.41458 204.3273 7.966973 208.9522 9.138103 -4.624832      12.12343 
1 1 1 19  11 10 o 153.3078 7.158015 330.8112       29.28761 351.7290      39.77378 306.0352       43.28674 159.0877 9.284891 147.5278 10.89677 11.55991       14.31603 
1 1 1 19  11 11 o 272.5120 5.347309 1028.109       39.18167 1022.985      53.93995 1033.833       57.00991 271.9881 7.365076 273.0358 7.754386 -1.047638      10.69462 
1 1 1 19  11 12 o 109.6658 9.509843 180.6918       27.85291 165.7133      36.65259 201.1631       42.84929 104.7756 12.99155 114.5559 13.89129 -9.780289      19.01969 
1 1 1 19  11 13 o 88.29909 11.94800 133.9356       27.65194 108.6888      36.57041 167.6396       42.25395 77.02471 17.96272 99.57346 15.75943 -22.54874      23.89600 
1 1 1 19  13 0  o 220.3477 3.831699 655.2842       22.72132 635.6047      32.32244 674.5085       31.94646 217.0669 5.530026 223.6286 5.305325 -6.561737      7.663397 
1 1 1 19  13 1  o 143.9796 4.298972 277.4901       16.50402 296.5106      25.49347 263.7672       21.65411 148.1688 6.389822 139.7903 5.752809 8.378510       8.597943 
1 1 1 19  13 2  o 191.0982 4.142151 492.6306       21.29197 502.8564      30.94463 483.4367       29.34203 192.9704 5.955403 189.2261 5.758718 3.744339       8.284303 
1 1 1 19  13 3  o 185.6185 4.540708 465.7726       22.68083 454.5075      32.38372 476.6187       31.77599 183.4004 6.557574 187.8366 6.282542 -4.436249      9.081415 
1 1 1 19  13 4  o 406.1885 5.276966 2231.122       57.63673 2175.313      79.09220 2294.321       84.16543 400.8226 7.328213 411.5545 7.594917 -10.73187      10.55393 
1 1 1 19  13 5  f 163.7471 5.984460 364.3591       26.29301 340.1791      35.40846 394.0801       39.25641 157.7665 8.335061 169.7276 8.589633 -11.96112      11.96892 
1 1 1 19  13 6  o 236.9768 6.505165 747.0957       40.94473 687.5295      52.92483 835.8952       64.61968 225.4703 8.717397 248.4834 9.657932 -23.01309      13.01033 
1 1 1 19  13 7  o 194.0469 6.202280 506.5815       31.27908 478.2030      38.93741 558.2142       52.52119 186.9791 7.733757 201.1147 9.698562 -14.13556      12.40456 
1 1 1 19  13 8  o 259.8730 5.494319 923.0114       38.23527 890.7181      51.09322 964.1148       57.64299 254.9348 7.443048 264.8112 8.084010 -9.876389      10.98864 
1 1 1 19  13 9  o 148.2479 7.674235 312.8159       29.58010 326.1891      37.81081 291.7200       47.48935 153.2795 9.161120 143.2163 12.31460 10.06319       15.34847 
1 1 1 19  13 10 o 77.46619 13.08288 98.85773       26.27327 103.6891      32.75076 90.13480       44.00658 82.19611 15.36230 72.73627 21.18130 9.459831       26.16577 
1 1 1 19  13 11 o 91.08646 11.44462 126.1719       26.17452 110.7250      31.92378 157.8548       45.71988 85.13859 13.92530 97.03434 18.16598 -11.89575      22.88923 
1 1 1 19  13 12 o 72.60043 11.34048 107.8520       24.95488 151.1128      31.41186 33.83136       41.08875 99.21333 11.75818 45.98752 19.39514 53.22581       22.68097 
1 1 1 19  15 0  o 255.1935 3.968866 877.9077       27.22992 900.1833      39.82214 858.3458       37.31760 258.2155 5.727418 252.1715 5.495842 6.044022       7.937733 
1 1 1 19  15 1  f 95.48872 6.805490 123.9793       16.75092 122.7825      28.00704 124.6459       20.90145 95.02110 10.94621 95.95634 8.089455 -0.9352493     13.61098 
1 1 1 19  15 2  f 184.8206 4.780494 462.2396       23.76423 434.6867      33.43377 490.3733       33.78437 179.2304 6.927720 190.4108 6.589325 -11.18036      9.560988 
1 1 1 19  15 3  o 431.2880 5.475493 2519.857       63.56219 2512.167      88.58028 2528.019       91.26064 430.6459 7.638944 431.9300 7.846695 -1.284027      10.95099 
1 1 1 19  15 4  o 251.9919 5.364914 860.6870       36.24493 860.4360      49.03276 860.9892       53.81675 252.0304 7.225204 251.9534 7.932568 0.7691956E-01  10.72983 
1 1 1 19  15 5  o 113.6308 10.55573 177.8007       30.56462 175.5341      37.51620 182.2747       52.70888 113.0710 12.32208 114.1905 17.14236 -1.119408      21.11147 
1 1 1 19  15 6  o 111.2001 9.830880 167.5063       27.54408 156.6702      33.08181 191.9935       49.73048 106.2727 11.56070 116.1274 15.90393 -9.854668      19.66176 
1 1 1 19  15 7  o 100.8640 10.68326 138.1138       26.83818 125.2452      31.77975 170.1130       50.11364 94.19102 12.53019 107.5370 17.30671 -13.34599      21.36651 
1 1 1 19  15 8  o 180.8653 7.030077 450.4193       32.14178 435.6277      38.97612 481.8591       56.82389 177.4624 8.156593 184.2682 11.45242 -6.805756      14.06015 
1 1 1 19  15 9  o 105.6611 11.11810 170.3310       27.34141 170.2986      32.33119 170.4124       51.22881 109.1162 11.00396 102.2060 19.32257 6.910172       22.23620 
1 1 1 19  15 10 o 46.71545 12.96148 30.32194       26.00706 48.31089      31.13879 -11.16769      47.28991 53.43527 18.13692 39.99563 18.52165 13.43964       25.92295 
1 1 1 19  15 11 o 55.04081 13.30508 58.50704       23.42861 59.43821      29.03749 56.77016       39.65777 56.81108 17.37047 53.27054 20.15856 3.540543       26.61016 
1 1 1 19  17 0  o 179.1348 8.310097 440.5724       26.41193 441.3479      28.24946 435.1868       74.44789 180.7358 5.804737 177.5338 15.57356 3.202026       16.62019 
1 1 1 19  17 1  o 77.92183 9.415661 79.21663       18.62248 52.57941      23.46276 124.5652       30.61375 60.51008 14.57375 95.33359 11.92579 -34.82351      18.83132 
1 1 1 19  17 2  o 124.2535 9.025134 181.1735       27.82996 135.3810      32.58179 304.7217       53.51755 99.48634 12.16265 149.0207 13.33725 -49.53436      18.05027 
1 1 1 19  17 3  o 171.2456 7.780147 385.9094       30.57820 374.6733      34.82140 423.7684       63.91808 166.4032 7.771435 176.0881 13.48063 -9.684906      15.56029 
1 1 1 19  17 4  o 45.71510 13.75431 11.04565       24.80091 14.11530      27.50558 -2.300496      57.35273 41.18837 16.44244 50.24183 22.05380 -9.053463      27.50861 
1 1 1 19  17 5  o 66.08104 13.97494 71.19314       24.58183 77.06509      27.13014 44.26745       58.09579 72.15660 14.46708 60.00547 23.91441 12.15113       27.94987 
1 1 1 19  17 6  o 151.4599 8.133158 305.0526       28.33298 290.1739      32.21159 355.9153       59.55645 145.2350 8.236782 157.6848 14.02670 -12.44978      16.26632 
1 1 1 19  17 7  o 131.4526 9.974882 257.5225       28.35472 261.1514      32.03961 244.4126       60.89791 136.9740 8.686919 125.9313 17.95914 11.04269       19.94976 
1 1 1 19  17 8  o 183.8457 7.733168 493.9097       32.58706 501.6169      37.64684 470.8788       65.07803 190.0399 7.356991 177.6514 13.60449 12.38852       15.46634 
1 1 1 19  17 9  o 59.69612 13.53074 69.00385       25.65470 78.66129      29.86569 41.81697       50.10963 68.23199 16.44805 51.16025 21.48918 17.07175       27.06147 
1 1 1 19  17 10 o 51.26945 14.00229 53.25862       28.07283 61.57990      30.34598 3.875249       73.92593 57.27366 17.79856 45.26525 21.62099 12.00841       28.00457 
1 1 1 19  19 0  o 173.9567 15.61192 419.5368       73.04048 443.3358      103.4408 395.8717       103.1496 179.0161 21.45934 168.8973 22.68095 10.11880       31.22385 
1 1 1 19  19 1  o 98.01740 20.73440 185.3091       60.38817 144.5615      84.55820 227.7243       86.27109 85.90346 29.86121 110.1313 28.77445 -24.22789      41.46879 
1 1 1 19  19 2  o 162.1700 11.18763 369.5987       24.91305 368.9970      25.86396 377.3337       92.72967 164.9361 5.823661 159.4039 21.60410 5.532120       22.37526 
1 1 1 19  19 3  o 117.3518 14.40524 222.9011       21.91142 224.8736      22.74946 197.5983       81.47866 128.3436 6.582846 106.3601 28.04835 21.98345       28.81048 
1 1 1 19  19 4  o 258.8048 7.416645 884.0144       37.48011 862.4357      40.62463 1007.437       97.15707 251.6744 5.994693 265.9352 13.56798 -14.26073      14.83329 
1 1 1 19  19 5  o 197.0255 8.222631 536.0493       30.07365 529.4077      32.38065 577.7399       81.12743 196.6992 6.113635 197.3518 15.26663 -0.6525726     16.44526 
1 1 1 19  19 6  o 55.12762 15.30419 7.759303       23.58401 -7.314774     25.05002 125.3542       69.96600 31.19988 14.07420 79.05537 27.18070 -47.85548      30.60839 
1 1 1 19  19 7  o 49.19328 13.69143 37.67807       24.27250 44.57832      25.80216 -15.39564      71.55886 52.01777 16.44943 46.36880 21.89150 5.648972       27.38286 
1 1 1 19  19 8  o 37.65549 13.40613 -43.23581      25.99190 -53.82954     27.42116 50.51346       81.57276 23.05689 11.45236 52.25410 24.24337 -29.19722      26.81227 
1 1 1 19  21 0  o 109.5060 19.15739 202.7138       55.50982 228.8909      86.82983 184.6207       72.18797 114.4332 28.33024 104.5789 25.79573 9.854218       38.31478 
1 1 1 19  21 1  o 183.9794 12.32352 492.4859       60.58065 532.0042      92.73499 463.0660       80.01374 189.7137 18.15355 178.2450 16.67108 11.46866       24.64703 
1 1 1 19  21 2  o 58.14436 17.73943 19.71260       51.59603 -16.51392     69.55410 64.04035       76.93912 49.73715 22.82599 66.55156 27.16107 -16.81441      35.47886 
1 1 1 19  21 3  o 150.3887 13.64590 354.1156       54.87300 335.3307      72.78759 378.8477       83.51878 146.7845 18.41593 153.9928 20.14189 -7.208313      27.29180 
1 1 1 19  21 4  o 47.82307 13.16295 25.61756       10.80252 25.85471      10.91012 13.77318       77.10452 41.91451 9.835925 53.73164 24.41941 -11.81713      26.32590 
1 1 1 19  21 5  o 184.8504 8.879992 498.2238       20.10218 496.7330      20.71528 522.2964       83.24279 190.9737 4.028412 178.7271 17.29708 12.24654       17.75998 
1 1 1 19  21 6  o 45.40077 13.05612 28.61728       15.68839 28.81569      16.05304 24.39824       74.02615 42.30486 12.91173 48.49669 22.69662 -6.191830      26.11225 
1 1 1 19  23 0  f 109.0106 16.75263 216.4066       51.75003 106.9877      74.18680 320.1118       72.22387 75.18024 27.74883 142.8409 18.77780 -67.66069      33.50527 
1 1 1 19  23 1  f 134.8552 13.89055 296.8680       50.36860 294.4822      69.43169 299.5184       73.17995 134.9162 19.11218 134.7941 20.16219 0.1220856      27.78110 
1 1 1 19  23 2  o 47.35190 15.44759 -10.99618      47.52276 -58.37819     67.72153 34.97364       66.70469 40.88516 19.81983 53.81864 23.69993 -12.93348      30.89518 
1 1 1 19  23 3  o 66.52625 18.36385 97.64036       49.62428 49.56027      66.18320 159.3830       74.99937 53.92843 23.68098 79.12407 28.07374 -25.19564      36.72770 
1 1 1 19  23 4  o 48.32446 15.28144 2.579520       45.91228 -89.61627     63.48016 103.7053       66.48344 34.35640 17.12339 62.29252 25.31560 -27.93612      30.56289 
1 1 1 19  25 0  o 48.47009 15.95709 17.19151       50.45969 56.55438      75.73786 -14.22654      67.66425 53.81046 24.35472 43.12972 20.62431 10.68074       31.91418 
1 1 1 19  25 1  o 40.11195 13.75145 -30.09040      46.25848 -18.64465     64.16144 -42.47993      66.75431 41.06561 19.75364 39.15828 19.13643 1.907333       27.50290 
1 1 1 20  0  0  o 390.8449 6.694421 2063.895       70.35971 2066.354      99.61937 2061.447       99.38834 391.0769 9.472711 390.6129 9.461968 -0.000000      0.000000 
1 1 1 20  0  1  o 261.2951 5.597566 922.6409       39.29645 902.0281      55.30378 943.6608       55.84736 258.3332 7.967599 264.2570 7.864371 -0.000000      0.000000 
1 1 1 20  0  2  o 438.6530 7.309166 2599.783       86.22370 2593.500      121.8839 2606.076       121.9937 438.1205 10.34467 439.1855 10.32877 -0.000000      0.000000 
1 1 1 20  0  3  o 318.4973 6.163737 1370.843       52.77089 1374.473      74.57187 1367.201       74.68687 318.9231 8.698348 318.0714 8.735294 -0.000000      0.000000 
1 1 1 20  0  4  f 117.0917 9.111934 195.9660       26.56316 244.8955      37.40731 146.1973       37.72670 133.4036 10.56619 100.7798 14.84806 -0.000000      0.000000 
1 1 1 20  0  5  o 493.7118 8.138672 3299.055       107.9362 3200.322      148.3492 3410.114       157.3366 485.9089 11.35227 501.5146 11.66524 -0.000000      0.000000 
1 1 1 20  0  6  o 45.04267 15.18506 28.18131       26.63986 -11.30786     36.40935 73.67909       39.08130 27.28054 18.19666 62.80480 24.31512 -0.000000      0.000000 
1 1 1 20  0  7  o 37.14332 15.99070 11.76358       31.01718 -8.790735     42.00031 36.42140       46.00216 30.06237 19.88589 44.22427 25.04718 -0.000000      0.000000 
1 1 1 20  0  8  o 31.79623 14.54746 -5.648223      30.81231 28.25576      44.49323 -36.89154      42.71173 38.97524 23.44206 24.61721 17.23322 -0.000000      0.000000 
1 1 1 20  0  9  o 166.2335 10.32844 384.6757       45.28854 375.5405      65.88850 392.8568       62.35299 164.0956 15.21228 168.3714 13.97475 -0.000000      0.000000 
1 1 1 20  0  10 o 220.1018 7.636678 665.9229       44.95265 693.2800      65.65176 641.7762       61.67932 224.3189 10.92833 215.8846 10.66991 -0.000000      0.000000 
1 1 1 20  0  11 o 50.67234 19.10132 54.06734       36.35520 75.45894      53.48371 35.69383       49.56739 58.26815 28.62623 43.07653 25.29785 -0.000000      0.000000 
1 1 1 20  0  12 o 160.0511 9.672700 367.2415       40.70421 416.4758      58.38330 320.6758       56.77912 171.2790 12.82434 148.8232 14.48381 -0.000000      0.000000 
1 1 1 20  0  13 o 33.65684 15.56127 -11.72965      38.66643 41.70173      52.44906 -75.34183      57.22815 42.44174 25.48947 24.87193 17.85777 -0.000000      0.000000 
1 1 1 20  0  14 o 28.41109 14.07960 -29.70392      40.39193 -37.92654     55.41408 -20.38267      59.00004 26.96535 19.03097 29.85684 20.75482 -0.000000      0.000000 
1 1 1 20  2  0  o 620.7222 6.842092 5204.959       114.3439 5151.861      160.1459 5260.179       163.3139 617.5036 9.631478 623.9409 9.720674 -6.437256      13.68418 
1 1 1 20  2  1  o 442.5553 5.173256 2639.980       61.61667 2590.407      85.52304 2693.486       88.85045 438.2457 7.247397 446.8648 7.384142 -8.619141      10.34651 
1 1 1 20  2  2  o 258.2408 3.976047 897.7063       27.62183 924.6087      40.13160 873.4896       38.07576 261.9089 5.690533 254.5728 5.554605 7.336121       7.952095 
1 1 1 20  2  3  o 383.7209 4.761219 1986.185       49.19448 1982.303      69.57142 1990.067       69.57159 383.3452 6.739962 384.0966 6.726793 -0.7513733     9.522438 
1 1 1 20  2  4  o 229.0077 4.119588 707.2638       25.39659 686.7913      35.50093 728.7231       36.34639 225.6135 5.843745 232.4019 5.808156 -6.788376      8.239177 
1 1 1 20  2  5  o 369.1097 4.730994 1840.189       47.00723 1870.306      67.47462 1811.787       65.52475 372.0340 6.735571 366.1854 6.645398 5.848633       9.461988 
1 1 1 20  2  6  o 215.9182 4.598738 629.8340       26.73647 634.9390      37.87356 624.7626       37.74891 216.7921 6.487975 215.0443 6.519183 1.747879       9.197475 
1 1 1 20  2  7  o 292.6161 4.789669 1158.240       37.72979 1193.726      53.67545 1123.581       53.04609 297.0590 6.710419 288.1732 6.836226 8.885773       9.579337 
1 1 1 20  2  8  o 97.62068 10.26541 140.6161       26.97383 135.6863      37.66970 145.8038       38.64240 95.81641 14.60054 99.42496 14.43395 -3.608551      20.53082 
1 1 1 20  2  9  f 104.9938 11.63134 157.1523       31.80445 136.2023      45.56398 177.0587       44.41461 96.99017 18.11269 112.9974 14.59735 -16.00722      23.26268 
1 1 1 20  2  10 o 277.5746 5.115083 1051.363       38.17539 1092.855      55.84996 1014.977       52.30093 282.6419 7.338428 272.5073 7.127676 10.13461       10.23017 
1 1 1 20  2  11 f 132.3612 10.46525 244.1725       37.29871 0.000000      0.000000 244.1725       37.29871 ?        ?        132.3612 10.46525 ?              ?        
1 1 1 20  2  12 o 128.5901 7.856267 236.8992       27.03971 212.1746      38.67197 260.5490       37.82204 121.5208 11.81849 135.6595 10.35408 -14.13862      15.71253 
1 1 1 20  2  13 o 102.3013 10.34772 162.6132       28.38810 175.2980      39.85422 149.5488       40.44601 107.0886 13.82126 97.51407 15.40370 9.574562       20.69544 
1 1 1 20  2  14 o 49.99973 13.84449 46.92930       27.17467 37.92845      37.21627 57.20909       39.77253 46.71754 18.95725 53.28192 20.18172 -6.564377      27.68897 
1 1 1 20  4  0  o 541.2830 6.068695 3954.107       88.43748 3998.493      126.4157 3911.562       123.7654 544.2501 8.626192 538.3157 8.538445 5.934387       12.13739 
1 1 1 20  4  1  o 495.5753 5.672013 3311.800       75.65224 3377.216      109.0472 3251.102       105.0420 500.2802 8.095022 490.8704 7.947172 9.409729       11.34403 
1 1 1 20  4  2  o 449.7429 5.284116 2728.734       63.99036 2725.943      90.24914 2731.555       90.74496 449.5136 7.456187 449.9721 7.489512 -0.4584351     10.56823 
1 1 1 20  4  3  o 546.2344 6.183284 4033.804       90.92541 3987.855      126.9976 4082.129       130.2396 543.0601 8.684886 549.4088 8.803679 -6.348694      12.36657 
1 1 1 20  4  4  o 285.7093 4.258292 1101.044       32.74463 1078.288      45.46846 1125.562       47.19561 282.6504 5.974166 288.7682 6.069723 -6.117828      8.516583 
1 1 1 20  4  5  o 114.4950 6.320372 177.7458       19.44696 192.3883      27.71969 163.5541       27.28967 119.1653 8.638835 109.8246 9.228160 9.340691       12.64074 
1 1 1 20  4  6  o 179.3442 5.176920 435.2780       24.98806 426.2358      35.64512 444.0156       35.03957 177.4960 7.458097 181.1923 7.181840 -3.696243      10.35384 
1 1 1 20  4  7  o 170.5173 5.835217 394.3069       26.75239 422.2424      38.07898 367.0802       37.59288 176.5167 8.011541 164.5178 8.486121 11.99887       11.67043 
1 1 1 20  4  8  f 158.0177 7.815220 343.1897       32.97099 307.0064      48.02633 375.4458       45.34514 149.9190 11.89705 166.1163 10.13760 -16.19730      15.63044 
1 1 1 20  4  9  f 189.4380 8.557294 500.9969       43.65026 0.000000      0.000000 500.9969       43.65026 ?        ?        189.4380 8.557294 ?              ?        
1 1 1 20  4  10 o 157.1471 6.816576 342.1853       28.82551 331.8301      39.90042 353.4898       41.68925 154.6923 9.579114 159.6019 9.700692 -4.909546      13.63315 
1 1 1 20  4  11 o 78.33565 11.96987 94.12193       25.91062 144.4081      37.60261 48.65965       35.75356 99.89046 13.98011 56.78085 19.43366 43.10961       23.93973 
1 1 1 20  4  12 o 144.5443 7.231144 296.4921       28.12619 299.0648      40.57465 294.1123       39.02357 145.0275 10.39013 144.0612 10.05997 0.9662628      14.46229 
1 1 1 20  4  13 o 44.63367 13.18415 21.37261       26.88646 4.941170      36.40263 41.09465       39.88145 38.95342 17.31238 50.31392 19.88891 -11.36050      26.36830 
1 1 1 20  6  0  o 597.4961 6.628856 4818.723       106.6149 4902.886      153.1493 4739.582       148.5102 602.5436 9.439371 592.4485 9.309414 10.09509       13.25771 
1 1 1 20  6  1  o 522.0219 5.912697 3677.912       83.10820 3703.859      118.1110 3652.468       116.9629 523.8435 8.373466 520.2003 8.350150 3.643188       11.82539 
1 1 1 20  6  2  o 519.9780 5.927307 3650.194       82.97505 3604.091      116.0125 3698.476       118.7234 516.6255 8.339605 523.3305 8.425132 -6.705017      11.85461 
1 1 1 20  6  3  f 330.5026 4.429774 1474.284       39.42006 1476.161      55.48550 1472.372       56.01503 330.7193 6.230696 330.2859 6.298414 0.4334717      8.859548 
1 1 1 20  6  4  o 43.98433 11.10025 22.01179       16.90201 30.62476      24.11580 13.69619       23.69583 48.27749 15.95535 39.69117 15.43662 8.586327       22.20051 
1 1 1 20  6  5  o 152.9377 5.170159 316.3509       21.28694 309.5732      30.14359 323.0933       30.06511 151.2953 7.399225 154.5801 7.223134 -3.284851      10.34032 
1 1 1 20  6  6  o 297.9910 4.811248 1201.126       38.59965 1214.749      55.15197 1188.047       54.04126 299.6401 6.835617 296.3419 6.772501 3.298279       9.622496 
1 1 1 20  6  7  o 191.5631 5.421759 498.9662       27.92408 493.0030      40.48090 504.3795       38.56963 190.4171 7.895158 192.7092 7.432924 -2.292068      10.84352 
1 1 1 20  6  8  f 160.0208 8.114216 347.4199       34.89667 348.7783      50.98435 346.2226       47.86583 160.2771 11.81359 159.7644 11.12659 0.5127258      16.22843 
1 1 1 20  6  9  o 220.1991 5.567553 660.6953       32.96138 672.7260      48.13010 650.0691       45.23347 222.0203 8.050831 218.3778 7.692510 3.642517       11.13511 
1 1 1 20  6  10 o 73.72380 12.72142 82.99613       24.94282 85.00515      37.15168 81.34742       33.65578 74.29212 18.61090 73.15549 17.34856 1.136635       25.44284 
1 1 1 20  6  11 o 158.3197 6.636473 350.4400       28.28032 344.7473      40.33255 355.9457       39.66463 156.9559 9.543216 159.6835 9.224865 -2.727615      13.27295 
1 1 1 20  6  12 o 44.83173 12.59340 20.11014       25.09941 44.70029      33.01617 -13.56028      38.63406 52.84679 18.63989 36.81668 16.93898 16.03010       25.18679 
1 1 1 20  6  13 o 58.77107 14.18503 67.51491       26.94751 68.59324      37.90169 66.41261       38.32084 59.27877 20.01030 58.26337 20.11089 1.015392       28.37006 
1 1 1 20  8  0  o 189.0664 4.141627 481.8053       21.04551 482.7556      30.72854 480.9657       28.88284 189.2350 6.030553 188.8979 5.678443 0.3370514      8.283254 
1 1 1 20  8  1  o 612.5500 6.813951 5070.929       112.3836 5097.767      159.8768 5044.715       158.0084 614.1443 9.667890 610.9557 9.604772 3.188599       13.62790 
1 1 1 20  8  2  o 297.7027 4.229517 1195.568       33.89472 1208.483      48.62096 1183.359       47.27607 299.2604 6.033800 296.1450 5.928620 3.115448       8.459035 
1 1 1 20  8  3  o 553.9202 6.295141 4156.125       93.89174 4138.321      132.2772 4174.203       133.2946 552.7303 8.887678 555.1100 8.917645 -2.379700      12.59028 
1 1 1 20  8  4  o 358.9754 4.713957 1740.629       45.55240 1705.244      63.50585 1778.130       65.37653 355.2249 6.639371 362.7259 6.693602 -7.501038      9.427914 
1 1 1 20  8  5  o 197.4462 4.854962 527.2579       25.81021 529.1757      36.73172 525.3876       36.27488 197.7968 6.896658 197.0956 6.835111 0.7011414      9.709925 
1 1 1 20  8  6  o 52.76735 12.82461 34.36658       22.58700 48.23005      32.21862 20.96783       31.67401 58.90768 18.34496 46.62701 17.92609 12.28067       25.64921 
1 1 1 20  8  7  o 173.7461 6.751988 408.0005       31.48680 364.2208      43.38645 456.7161       45.76698 163.8920 9.831347 183.6003 9.257537 -19.70831      13.50398 
1 1 1 20  8  8  o 129.1002 7.771446 235.5689       26.87166 265.2636      40.56490 212.3488       35.87106 136.2278 11.05863 121.9725 10.92191 14.25527       15.54289 
1 1 1 20  8  9  o 73.12833 12.10353 81.50037       23.41436 77.49401      32.67669 85.72804       33.56708 71.20236 17.22984 75.05428 17.00338 -3.851921      24.20707 
1 1 1 20  8  10 o 96.41542 10.53167 135.8777       26.53854 115.6615      36.36583 158.9100       38.81621 87.69725 15.98926 105.1336 13.71160 -17.43635      21.06334 
1 1 1 20  8  11 o 42.14100 12.45387 7.425058       25.23347 33.19041      35.37942 -19.25164      35.99968 49.39564 18.95629 34.88636 16.15719 14.50928       24.90774 
1 1 1 20  8  12 o 104.4745 9.993203 165.4645       27.84704 138.9958      37.07641 199.7188       42.17837 94.64371 14.54864 114.3053 13.70377 -19.66156      19.98641 
1 1 1 20  8  13 o 59.50953 14.62058 73.21735       28.70883 62.49359      38.95527 85.96549       42.47331 55.38581 20.15915 63.63324 21.18145 -8.247429      29.24116 
1 1 1 20  10 0  o 421.5659 5.028619 2398.761       57.07557 2370.490      79.99711 2428.074       81.45678 419.0398 7.089827 424.0919 7.133190 -5.052155      10.05724 
1 1 1 20  10 1  o 332.6176 4.391833 1492.709       39.32148 1510.336      56.46857 1476.117       54.78747 334.5156 6.269127 330.7197 6.152305 3.795868       8.783667 
1 1 1 20  10 2  o 39.44799 10.78712 12.93050       16.38840 20.48591      24.36193 6.685275       22.14915 43.18665 15.90804 35.70934 14.57334 7.477306       21.57425 
1 1 1 20  10 3  o 79.41527 8.458149 85.78245       18.00535 87.58102      26.88367 84.31938       24.24681 80.12822 12.46005 78.70231 11.44152 1.425911       16.91630 
1 1 1 20  10 4  o 197.3114 4.872436 525.3167       25.85530 494.0507      35.62851 560.1002       37.57925 191.1196 6.923234 203.5031 6.857939 -12.38356      9.744871 
1 1 1 20  10 5  o 222.3389 4.960582 668.9291       29.69490 660.1625      42.10809 677.6023       41.88267 220.8794 7.079896 223.7984 6.950149 -2.918930      9.921165 
1 1 1 20  10 6  o 211.5821 5.900057 606.5494       33.50315 634.5685      49.83955 583.4500       45.25306 215.9664 8.570465 207.1978 8.111094 8.768631       11.80011 
1 1 1 20  10 7  o 112.2007 10.54785 186.8127       29.78048 138.0947      43.65028 229.2361       40.73283 96.27070 17.48266 128.1307 11.80615 -31.85996      21.09570 
1 1 1 20  10 8  o 98.42829 10.66783 144.7363       26.38552 100.3384      37.73517 187.2092       36.90808 81.31765 17.73330 115.5389 11.86342 -34.22128      21.33566 
1 1 1 20  10 9  o 197.7252 5.850836 534.5041       30.92987 514.6810      41.05146 560.5332       47.04054 193.6996 7.870755 201.7508 8.659119 -8.051147      11.70167 
1 1 1 20  10 10 f 51.82668 12.68320 28.99672       25.61058 74.36444      36.80386 -13.59681      35.66085 67.55664 19.28138 36.09671 16.48281 31.45993       25.36641 
1 1 1 20  10 11 o 138.3755 7.872856 281.5731       28.81725 306.1522      38.64774 250.7966       43.24639 146.3991 9.803977 130.3518 12.32110 16.04730       15.74571 
1 1 1 20  10 12 o 65.06667 13.93287 82.70813       26.99253 99.29932      38.58959 66.81422       37.77000 72.10475 19.43500 58.02858 19.96947 14.07617       27.86573 
1 1 1 20  12 0  o 184.0006 4.181504 453.9004       20.56181 481.2880      31.40062 433.3412       27.20596 188.8052 6.176478 179.1960 5.638354 9.609192       8.363008 
1 1 1 20  12 1  o 272.3709 4.121437 1001.551       30.22178 1004.995      43.16978 998.2402       42.32289 272.8238 5.876440 271.9180 5.780348 0.9057617      8.242873 
1 1 1 20  12 2  o 64.11005 10.03607 58.90194       16.77975 53.71966      25.36055 62.93715       22.37852 61.39467 15.37459 66.82543 12.90398 -5.430763      20.07213 
1 1 1 20  12 3  o 69.62758 11.64144 70.28709       21.55775 59.82584      31.42926 79.58183       29.62518 64.55857 17.59767 74.69659 15.24514 -10.13802      23.28288 
1 1 1 20  12 4  o 123.6037 7.185490 207.8899       23.91451 209.1574      33.96067 206.6432       33.68149 123.9760 10.17315 123.2315 10.15047 0.7444763      14.37098 
1 1 1 20  12 5  f 263.2504 5.585105 936.9102       39.56839 912.2701      54.86358 963.6196       57.12097 259.6553 7.846998 266.8454 7.949731 -7.190094      11.17021 
1 1 1 20  12 6  o 60.24953 14.58021 51.32530       29.35770 29.58687      39.48943 78.18510       43.89532 50.59708 19.85752 69.90197 21.35436 -19.30489      29.16041 
1 1 1 20  12 7  o 153.2637 6.884518 325.5805       28.34899 302.9460      40.24699 347.8687       39.93785 147.8047 10.11258 158.7227 9.344629 -10.91809      13.76904 
1 1 1 20  12 8  o 304.0308 5.197739 1264.462       42.42611 1262.404      57.81500 1266.865       62.45211 303.9479 7.064119 304.1137 7.626544 -0.1658020     10.39548 
1 1 1 20  12 9  o 40.60783 12.40228 1.867219       25.72739 20.10246      35.16300 -19.14076      37.74178 45.13385 18.38431 36.08183 16.65183 9.052021       24.80456 
1 1 1 20  12 10 o 172.8795 6.311611 423.3705       29.19686 442.2050      39.76773 401.3468       43.00299 177.5883 8.316359 168.1708 9.496522 9.417419       12.62322 
1 1 1 20  12 11 o 56.47805 13.45611 60.74070       25.80323 76.54401      33.48084 37.62364       40.49380 64.81054 18.35317 48.14557 19.68322 16.66497       26.91222 
1 1 1 20  14 0  o 201.5223 4.231033 547.0520       22.85314 561.6287      34.18584 535.2747       30.72838 203.9191 6.225941 199.1255 5.730988 4.793610       8.462067 
1 1 1 20  14 1  o 177.3696 4.907094 426.7066       23.17200 417.5197      35.32585 433.6447       30.69937 175.6235 7.470102 179.1157 6.365205 -3.492157      9.814187 
1 1 1 20  14 2  o 214.8308 4.756616 624.9165       27.48743 602.0107      39.25015 646.9627       38.50669 210.9358 6.910472 218.7259 6.538116 -7.790146      9.513232 
1 1 1 20  14 3  o 181.5035 5.578598 454.9436       27.25348 439.0130      38.42586 471.0687       38.65968 178.2381 8.006444 184.7689 7.770449 -6.530777      11.15720 
1 1 1 20  14 4  o 159.4882 7.820269 341.0073       33.10543 267.9459      44.49582 431.5970       49.54671 140.4958 11.76177 178.4805 10.30957 -37.98477      15.64054 
1 1 1 20  14 5  o 117.5529 8.725974 195.3764       27.33715 197.6624      36.33550 192.3946       41.49794 118.7590 11.36269 116.3468 13.24612 2.412201       17.45195 
1 1 1 20  14 6  o 223.9750 5.786686 690.4890       34.47138 692.3095      45.40401 688.0118       52.96441 224.7055 7.504075 223.2446 8.810891 1.460938       11.57337 
1 1 1 20  14 7  o 130.3259 7.941711 238.1464       27.62367 240.4530      36.84935 235.1874       41.73718 131.3986 10.41492 129.2532 11.99219 2.145386       15.88342 
1 1 1 20  14 8  o 130.5502 7.791472 241.1772       26.54002 238.2540      33.58978 246.0347       43.29886 130.3404 9.570724 130.7600 12.29754 -0.4196320     15.58294 
1 1 1 20  14 9  o 131.0129 7.931983 249.3231       27.65923 252.6405      36.68373 244.9522       42.10672 132.7886 10.25957 129.2372 12.09986 3.551376       15.86397 
1 1 1 20  14 10 o 89.75211 11.36258 134.9032       25.62504 137.7977      32.36435 130.0399       41.95170 94.59196 12.70660 84.91225 18.84078 9.679710       22.72515 
1 1 1 20  16 0  o 82.12455 8.287885 96.85531       17.07018 77.16258      26.43093 110.9473       22.35863 73.85899 13.79739 90.39011 9.186305 -16.53111      16.57577 
1 1 1 20  16 1  o 55.40745 12.08165 44.63973       19.68208 59.13428      31.09456 34.95021       25.42338 61.73256 17.75531 49.08234 16.38945 12.65022       24.16330 
1 1 1 20  16 2  o 157.8669 6.736767 337.8075       28.48479 383.2509      40.75020 294.3875       39.83262 168.3096 8.991611 147.4242 10.03429 20.88541       13.47353 
1 1 1 20  16 3  f 78.58867 12.29949 93.99821       25.12540 81.04218      32.81162 112.3648       39.06664 72.17339 17.13891 85.00395 17.64560 -12.83057      24.59897 
1 1 1 20  16 4  o 255.9694 5.267283 881.1960       35.63534 828.4365      45.63555 963.6324       57.04428 246.5670 6.873613 265.3719 7.983140 -18.80496      10.53457 
1 1 1 20  16 5  o 76.06531 12.84828 89.93594       25.44671 94.48248      32.10487 82.25292       41.73465 79.75409 15.50821 72.37653 20.48923 7.377556       25.69656 
1 1 1 20  16 6  o 48.07923 11.95000 23.03971       25.16302 61.04071      30.73249 -54.25137      43.82933 62.48749 17.54481 33.67097 16.22928 28.81652       23.89999 
1 1 1 20  16 7  o 51.22134 13.55334 38.29594       25.60701 48.64642      30.24725 12.10923       48.11120 55.49963 17.83776 46.94304 20.41044 8.556583       27.10668 
1 1 1 20  16 8  o 139.3046 8.645431 286.3147       29.32511 285.2319      34.89348 288.9186       54.11146 141.6439 9.148775 136.9652 14.67221 4.678696       17.29086 
1 1 1 20  16 9  o 38.25993 12.26814 3.536161       26.16325 -1.365231     32.58089 12.43560       43.90202 34.90510 15.86730 41.61475 18.71518 -6.709656      24.53628 
1 1 1 20  18 0  o 72.30745 30.12192 24.49189       97.25193 0.000000      0.000000 24.49189       97.25193 ?        ?        72.30745 30.12192 ?              ?        
1 1 1 20  18 1  o 80.79706 12.05227 78.36476       21.26013 61.36110      23.51341 154.5439       49.76941 63.65911 14.08994 97.93501 19.55766 -34.27589      24.10454 
1 1 1 20  18 2  o 71.86600 13.60406 78.78959       23.41982 81.18484      25.85024 67.81841       55.32434 76.04118 12.62503 67.69081 24.10168 8.350365       27.20813 
1 1 1 20  18 3  o 256.2964 5.691917 824.8950       34.09038 754.9741      38.75582 1063.991       71.66699 235.4345 6.113409 277.1584 9.603016 -41.72398      11.38383 
1 1 1 20  18 4  o 193.1631 6.588433 502.3525       29.33148 487.7968      33.50639 550.0869       60.67740 188.8491 6.589149 197.4770 11.41109 -8.627884      13.17687 
1 1 1 20  18 5  o 86.14235 11.71164 82.17400       23.21343 54.37213      25.89661 195.8667       52.36875 59.11826 15.91530 113.1664 17.18585 -54.04818      23.42328 
1 1 1 20  18 6  o 158.8419 7.849619 366.2201       29.01840 368.6605      33.68831 359.2024       57.12700 162.6681 7.691190 155.0157 13.68619 7.652435       15.69924 
1 1 1 20  18 7  o 58.85881 13.80284 52.12715       24.32283 32.24448      28.85834 100.8934       45.19534 45.57287 17.20807 72.14474 21.58602 -26.57187      27.60569 
1 1 1 20  18 8  o 47.84470 14.58544 34.02577       25.85853 31.24975      27.50041 55.21338       75.97465 43.51985 16.71004 52.16954 23.91057 -8.649689      29.17089 
1 1 1 20  20 0  o 107.0391 20.24267 201.7203       59.66413 225.6261      86.21688 179.7507       82.65166 113.6605 28.28418 100.4177 28.96667 13.24285       40.48534 
1 1 1 20  20 1  o 194.0532 11.88040 550.4846       61.50344 542.1636      92.84362 556.9914       82.10160 191.6389 17.99223 196.4675 15.51950 -4.828583      23.76079 
1 1 1 20  20 2  o 112.9750 13.48930 154.9207       10.89141 153.2267      10.98454 253.5565       83.81789 106.3624 3.835400 119.5876 26.70457 -13.22525      26.97859 
1 1 1 20  20 3  o 87.23534 14.01386 154.7685       14.47410 157.5203      14.71642 73.26544       80.09013 107.5146 5.083367 66.95611 27.56288 40.55846       28.02772 
1 1 1 20  20 4  o 60.89013 14.25821 59.90665       19.85633 61.15880      20.51196 41.25341       79.16927 63.72534 12.40021 58.05493 25.67920 5.670410       28.51643 
1 1 1 20  20 5  o 84.58263 15.38599 110.3024       24.00499 103.2632      25.23790 177.1138       77.75300 83.68607 11.19996 85.47919 28.66140 -1.793121      30.77198 
1 1 1 20  20 6  o 46.61546 14.74921 18.95896       25.16509 10.21655      26.75503 86.02660       74.10480 35.57957 15.34476 57.65134 25.19315 -22.07177      29.49841 
1 1 1 20  22 0  o 156.0846 12.90894 376.5491       54.09738 409.4124      80.25779 349.1860       73.23421 162.1456 18.38225 150.0237 18.12888 12.12196       25.81788 
1 1 1 20  22 1  o 102.8360 17.54687 194.8618       48.05052 203.8232      68.51067 186.1860       67.41008 105.6086 24.55689 100.0634 25.07050 5.545105       35.09374 
1 1 1 20  22 2  o 66.02962 18.03531 87.25338       46.76898 113.0580      65.34296 60.14795       66.96969 73.03214 26.17298 59.02710 24.82067 14.00504       36.07063 
1 1 1 20  22 3  o 70.12672 19.33502 125.9488       53.54705 152.7533      76.16811 99.75644       75.29340 76.48979 28.13563 63.76364 26.52844 12.72615       38.67003 
1 1 1 20  22 4  o 40.45950 13.32773 8.318861       14.07822 6.384321      14.34032 59.79385       73.97214 28.01917 11.61064 52.89981 23.99390 -24.88064      26.65547 
1 1 1 20  24 0  o 40.64145 13.90347 -43.28666      46.90880 -80.94888     66.14356 -5.175866      66.53629 36.65763 18.13348 44.62526 21.08086 -7.967636      27.80694 
1 1 1 20  24 1  o 74.88275 17.86147 138.8329       46.24563 83.26247      62.93914 204.0370       68.17681 58.05508 24.21247 91.71043 26.26566 -33.65535      35.72294 
1 1 1 21  1  0  o 183.1373 4.459966 448.4347       21.89916 400.8358      29.52997 506.6010       32.64381 172.4260 6.360287 193.8486 6.253954 -21.42256      8.919932 
1 1 1 21  1  1  o 559.3582 6.277001 4223.525       94.52881 4167.133      132.3285 4282.289       135.0818 555.5519 8.845970 563.1644 8.907963 -7.612549      12.55400 
1 1 1 21  1  2  f 361.6916 4.626025 1765.680       45.05275 1765.869      63.91454 1765.494       63.51575 361.7080 6.562332 361.6751 6.521979 0.3283691E-01  9.252049 
1 1 1 21  1  3  o 290.6251 4.301438 1140.153       33.65817 1132.857      47.82894 1147.312       47.37400 289.6980 6.131432 291.5522 6.034486 -1.854218      8.602876 
1 1 1 21  1  4  o 130.6608 5.618574 231.1692       19.75860 225.5981      28.12687 236.5968       27.76245 129.0932 8.091605 132.2284 7.797399 -3.135162      11.23715 
1 1 1 21  1  5  o 222.3661 4.661006 667.9704       27.90294 685.8401      39.83458 650.7562       39.09719 225.2881 6.566569 219.4441 6.616652 5.844055       9.322013 
1 1 1 21  1  6  o 42.57952 11.78928 -1.340390      23.09062 -40.59244     32.35494 39.40264       32.96371 30.26196 14.41274 54.89708 18.66068 -24.63512      23.57855 
1 1 1 21  1  7  o 199.8559 5.723757 546.2643       30.80135 551.8840      43.65874 540.6953       43.46131 200.8883 8.071111 198.8235 8.118050 2.064758       11.44751 
1 1 1 21  1  8  o 38.04865 12.23518 -19.02139      27.70950 -5.886305     39.15373 -32.20143      39.22066 40.79200 18.05033 35.30529 16.52224 5.486706       24.47037 
1 1 1 21  1  9  o 76.02437 12.06830 88.96647       25.15873 55.21087      36.33395 120.0581       34.87077 60.44275 19.56331 91.60598 14.13690 -31.16323      24.13659 
1 1 1 21  1  10 o 260.9885 5.298205 933.8685       37.21981 937.9565      53.41298 930.0098       51.89343 261.4844 7.586082 260.4926 7.398327 0.9918213      10.59641 
1 1 1 21  1  11 o 54.42563 13.95578 45.06056       26.36314 47.20507      35.78392 42.51482       38.98803 55.15900 19.41084 53.69226 20.05678 1.466740       27.91156 
1 1 1 21  1  12 o 96.69923 10.61453 146.8958       26.80971 166.5899      38.30181 127.9782       37.53899 104.6151 13.59696 88.78340 16.30325 15.83166       21.22906 
1 1 1 21  1  13 o 37.66655 11.69234 -4.207144      25.53434 38.60719      35.98713 -47.61616      36.23619 46.90437 18.77828 28.42873 13.93625 18.47564       23.38467 
1 1 1 21  3  0  o 299.5167 4.226082 1209.119       34.07951 1222.408      48.64365 1196.308       47.75991 301.1313 5.999110 297.9020 5.953970 3.229309       8.452165 
1 1 1 21  3  1  o 345.6272 4.526312 1610.770       42.12392 1602.899      59.63388 1618.608       59.51075 344.7827 6.423388 346.4717 6.378878 -1.688965      9.052624 
1 1 1 21  3  2  o 109.0009 6.460814 161.4365       18.88632 149.1069      27.19584 172.9216       26.24794 104.9339 9.625058 113.0679 8.621295 -8.134026      12.92163 
1 1 1 21  3  3  o 449.5352 5.343263 2732.154       64.67587 2746.355      91.87366 2718.202       91.06270 450.6897 7.570594 448.3808 7.542410 2.308960       10.68653 
1 1 1 21  3  4  f 202.9245 4.548537 556.3875       24.85079 546.4087      35.12768 566.3851       35.16099 201.0968 6.487252 204.7521 6.377484 -3.655258      9.097074 
1 1 1 21  3  5  o 311.1740 4.618556 1308.799       38.69834 1306.744      54.73674 1310.854       54.71869 310.9285 6.537851 311.4193 6.525393 -0.4908142     9.237113 
1 1 1 21  3  6  o 72.60777 12.06389 75.87508       23.18712 77.65670      32.62231 74.05600       32.96342 73.50468 16.84318 71.71086 17.27591 1.793816       24.12778 
1 1 1 21  3  7  o 33.68492 11.42151 -61.16038      29.67255 -41.74284     43.78564 -77.65118      40.35111 37.27683 17.44884 30.09302 14.74253 7.183811       22.84303 
1 1 1 21  3  8  o 195.8268 8.203451 533.9058       43.25658 0.000000      0.000000 533.9058       43.25658 ?        ?        195.8268 8.203451 ?              ?        
1 1 1 21  3  9  o 270.5098 5.248132 1003.171       38.17390 998.1107      55.37915 1007.751       52.69307 269.7270 7.624976 271.2925 7.213272 -1.565460      10.49626 
1 1 1 21  3  10 o 57.63779 12.54950 46.33871       25.00002 4.824021      35.99217 85.03999       34.75120 41.31237 17.80745 73.96321 17.68770 -32.65084      25.09900 
1 1 1 21  3  11 o 112.4911 8.529538 182.3033       25.63951 154.2740      35.23150 213.8616       37.38362 102.8986 12.71564 122.0836 11.37209 -19.18504      17.05908 
1 1 1 21  3  12 o 71.44218 13.07820 90.58003       26.59777 59.68742      37.76895 120.9738       37.46278 57.56369 19.96007 85.32066 16.90424 -27.75696      26.15640 
1 1 1 21  3  13 o 101.3757 10.67793 172.4914       27.31537 126.5472      38.37811 219.6608       38.88643 83.80400 17.56887 118.9475 12.14114 -35.14349      21.35586 
1 1 1 21  5  0  f 678.5845 7.441614 6224.533       135.9736 6224.457      192.2688 6224.610       192.3226 678.5807 10.52262 678.5883 10.52544 -0.7568359E-02 14.88323 
1 1 1 21  5  1  o 323.1815 4.392536 1408.858       38.22389 1416.171      54.28541 1401.667       53.83094 324.0122 6.222119 322.3507 6.201831 1.661499       8.785071 
1 1 1 21  5  2  o 572.6714 6.455092 4437.825       99.51583 4490.062      142.5644 4388.185       138.9774 575.9357 9.192926 569.4070 9.064378 6.528625       12.91018 
1 1 1 21  5  3  o 478.4756 5.614280 3097.843       72.33197 3076.149      101.9744 3119.810       102.6143 476.7888 7.942946 480.1624 7.936634 -3.373596      11.22856 
1 1 1 21  5  4  o 154.0627 5.367698 320.8890       22.19826 287.7104      30.90668 356.2416       31.90319 145.8143 7.871707 162.3112 7.299655 -16.49692      10.73540 
1 1 1 21  5  5  o 257.9547 4.847457 900.1078       33.62051 903.8432      48.93314 896.7678       46.27158 258.4283 7.032012 257.4811 6.673991 0.9471741      9.694914 
1 1 1 21  5  6  o 214.8747 5.229745 626.6512       30.24008 630.8511      43.59857 622.7576       41.97923 215.5403 7.512084 214.2092 7.278018 1.331100       10.45949 
1 1 1 21  5  7  o 127.8342 10.21443 223.1542       34.69532 220.1945      53.38026 225.3190       45.65391 126.9666 15.61377 128.7017 13.17377 -1.735115      20.42886 
1 1 1 21  5  8  o 155.0463 6.791664 326.7386       28.20679 373.0770      42.33661 289.7511       37.82449 164.8519 9.537596 145.2408 9.671663 19.61108       13.58333 
1 1 1 21  5  9  o 55.01558 13.68118 42.91947       25.19748 38.10888      37.41700 46.91142       34.08488 53.48005 19.71264 56.55111 18.97658 -3.071060      27.36236 
1 1 1 21  5  10 f 58.70806 13.08694 49.32001       25.81256 86.62250      37.23428 14.80522       35.81597 73.58372 18.74101 43.83241 18.27147 29.75131       26.17389 
1 1 1 21  5  11 o 56.28758 13.00193 45.49905       26.34460 87.38538      37.46617 4.535704       37.05107 72.14841 19.01660 40.42675 17.73611 31.72166       26.00386 
1 1 1 21  5  12 o 103.4480 9.998087 169.5412       27.59980 154.1828      40.13817 183.3161       38.01254 97.74568 15.25024 109.1503 12.93357 -11.40466      19.99617 
1 1 1 21  7  0  o 242.3631 4.084349 792.0308       26.65396 794.5969      37.59870 789.4384       37.79082 242.7592 5.751931 241.9670 5.800251 0.7922821      8.168698 
1 1 1 21  7  1  o 318.7251 4.385526 1369.256       37.61275 1421.084      54.39793 1321.780       52.06374 324.4937 6.225764 312.9565 6.178286 11.53723       8.771052 
1 1 1 21  7  2  o 155.2283 4.898462 324.8976       20.43119 336.1546      30.07363 315.2484       27.84322 157.7069 7.081930 152.7496 6.769489 4.957291       9.796924 
1 1 1 21  7  3  o 161.6255 4.938883 353.2356       21.46407 377.9066      30.57097 329.2503       30.14311 167.2108 6.789871 156.0402 7.174115 11.17065       9.877767 
1 1 1 21  7  4  o 349.7676 4.877685 1653.648       45.92508 1617.723      64.01225 1691.753       65.92577 345.8607 6.873507 353.6745 6.922581 -7.813751      9.755369 
1 1 1 21  7  5  o 202.5035 5.065017 555.1671       27.60489 546.6008      39.46695 563.3718       38.62510 200.9543 7.293782 204.0526 7.029817 -3.098251      10.13003 
1 1 1 21  7  6  o 54.75331 14.10783 35.73013       26.99245 39.04906      38.83415 32.62794       37.54468 56.20821 20.17364 53.29841 19.72682 2.909801       28.21565 
1 1 1 21  7  7  o 117.3090 8.816559 192.4465       27.61427 229.4732      42.01122 164.2794       36.64202 127.1859 12.26713 107.4320 12.66666 19.75387       17.63312 
1 1 1 21  7  8  f 39.98069 12.09013 -9.461641      25.91509 -51.37563     38.05439 26.78753       35.38949 31.34318 15.11110 48.61819 18.87696 -17.27501      24.18026 
1 1 1 21  7  9  o 115.8036 8.871473 189.6398       27.62933 189.0717      40.01727 190.1573       38.19400 115.4940 12.86780 116.1131 12.21605 -0.6190338     17.74295 
1 1 1 21  7  10 o 113.9036 11.71993 185.9399       35.94563 0.000000      0.000000 185.9399       35.94563 ?        ?        113.9036 11.71993 ?              ?        
1 1 1 21  7  11 o 45.81002 13.11423 24.50474       25.70506 41.82140      37.29087 8.827751       35.48149 51.34711 19.51953 40.27293 17.51915 11.07417       26.22847 
1 1 1 21  7  12 o 58.01635 13.74926 66.32549       26.15836 83.45021      36.73161 48.70350       37.26109 65.37083 19.43769 50.66188 19.45110 14.70895       27.49853 
1 1 1 21  9  0  o 495.4945 5.714568 3318.758       76.23218 3341.010      108.9165 3297.388       106.7338 497.1084 8.136901 493.8805 8.025956 3.227905       11.42914 
1 1 1 21  9  1  o 149.6709 4.877508 302.2469       19.55749 307.3136      29.27356 298.1622       26.28424 150.7764 7.210391 148.5655 6.570434 2.210907       9.755016 
1 1 1 21  9  2  o 309.3948 4.459920 1291.113       37.12580 1238.372      51.29885 1349.117       53.79789 302.7731 6.292264 316.0164 6.322258 -13.24332      8.919840 
1 1 1 21  9  3  o 265.5361 4.710665 952.2767       33.65597 973.4761      48.74013 932.9563       46.53020 268.3449 6.745433 262.7273 6.577279 5.617615       9.421330 
1 1 1 21  9  4  o 165.5699 5.794661 371.6329       25.81943 371.2006      35.90630 372.0957       37.15404 165.4892 8.057817 165.6506 8.329704 -0.1613922     11.58932 
1 1 1 21  9  5  o 290.1878 5.200187 1156.425       40.58894 1188.245      59.07245 1127.968       55.86464 293.8722 7.465228 286.5034 7.241420 7.368774       10.40037 
1 1 1 21  9  6  f 38.49173 12.50199 -29.12274      29.66722 -37.46497     43.16930 -21.65677      40.83917 37.63273 17.51907 39.35073 17.84044 -1.717995      25.00398 
1 1 1 21  9  7  o 73.37486 12.49789 82.17117       25.01149 55.77599      36.28276 106.0719       34.52578 61.54317 19.51097 85.20657 15.62407 -23.66340      24.99579 
1 1 1 21  9  8  o 128.3772 7.642310 232.1272       26.10134 201.1213      37.98980 259.8505       35.92262 119.7595 11.78077 136.9949 9.738233 -17.23536      15.28462 
1 1 1 21  9  9  o 118.8138 8.421915 201.7202       26.93762 200.9421      38.45833 202.4697       37.74284 118.5067 12.05214 119.1209 11.76693 -0.6142044     16.84383 
1 1 1 21  9  10 o 85.46239 11.66003 113.7892       26.14062 87.71584      35.24944 145.6510       38.96619 72.89897 18.05242 98.02582 14.76264 -25.12685      23.32006 
1 1 1 21  9  11 o 69.75225 13.36334 89.14642       26.37099 110.4485      37.49702 68.29903       37.09465 79.33371 17.96995 60.17079 19.78373 19.16292       26.72668 
1 1 1 21  11 0  o 150.4607 4.837120 304.7418       19.43424 315.1139      29.66139 296.9398       25.72529 152.6627 7.215646 148.2587 6.444019 4.404022       9.674240 
1 1 1 21  11 1  o 225.0661 4.338251 684.7719       26.23675 672.9941      38.16764 695.3229       36.12526 223.2046 6.350513 226.9276 5.912079 -3.723053      8.676502 
1 1 1 21  11 2  o 243.7433 4.629336 801.9753       30.34056 826.3612      44.33278 780.4904       41.61237 247.2052 6.660151 240.2815 6.431595 6.923630       9.258673 
1 1 1 21  11 3  o 284.8124 4.809713 1096.390       36.86056 1119.467      53.32402 1075.271       51.01032 287.6641 6.884204 281.9607 6.718713 5.703430       9.619427 
1 1 1 21  11 4  o 37.02316 11.85808 -16.48234      25.50614 -1.264316     38.12720 -28.80962      34.31543 41.14996 18.02412 32.89635 15.41387 8.253613       23.71616 
1 1 1 21  11 5  o 243.0539 6.046186 799.4722       39.53810 817.9696      57.30953 782.6714       54.61814 245.7148 8.661880 240.3929 8.437850 5.321838       12.09237 
1 1 1 21  11 6  f 187.7732 5.682794 480.1172       28.69511 507.6659      41.88338 455.7472       39.39304 192.8268 8.066606 182.7197 8.006651 10.10718       11.36559 
1 1 1 21  11 7  o 111.7441 9.119992 179.6217       26.77392 160.0237      41.15475 194.0030       35.25441 105.6689 14.46403 117.8193 11.11255 -12.15041      18.23998 
1 1 1 21  11 8  o 190.4457 6.017746 502.9494       30.85337 516.3526      44.08018 490.0764       43.19966 192.9494 8.484311 187.9420 8.536366 5.007385       12.03549 
1 1 1 21  11 9  o 83.98596 11.40503 118.8428       25.25155 180.2300      34.85213 51.00750       36.63685 111.7342 11.58403 56.23771 19.64966 55.49652       22.81007 
1 1 1 21  11 10 o 153.0888 7.195144 341.6654       29.48100 355.4260      40.18134 325.6209       43.38792 157.1645 9.494818 149.0132 10.81336 8.151321       14.39029 
1 1 1 21  11 11 o 58.91023 13.56125 66.04037       26.69844 35.14949      36.44076 101.8369       39.22769 45.72724 18.68081 72.09322 19.66360 -26.36597      27.12249 
1 1 1 21  13 0  o 160.5997 5.129862 348.1179       21.68024 352.3121      34.62768 345.4138       27.80424 161.3170 7.971861 159.8823 6.458435 1.434769       10.25972 
1 1 1 21  13 1  o 172.7467 5.363971 403.8069       24.80409 407.9755      37.23059 400.4799       33.26072 173.4931 7.969557 172.0002 7.181568 1.492950       10.72794 
1 1 1 21  13 2  o 155.2676 5.943874 327.9277       24.66987 278.7539      34.39967 379.9992       35.39872 143.1787 8.922618 167.3564 7.855282 -24.17766      11.88775 
1 1 1 21  13 3  o 92.50865 12.39827 120.5819       30.09711 108.2564      43.66988 131.7332       41.53762 86.94254 19.16942 98.07476 15.72900 -11.13222      24.79653 
1 1 1 21  13 4  f 153.5472 7.617717 329.4389       31.32891 359.9920      43.75290 297.2911       44.88016 161.1940 10.08033 145.9004 11.42390 15.29355       15.23543 
1 1 1 21  13 5  o 55.59180 12.93425 37.95629       25.01417 5.665666      34.51110 73.69710       36.30804 41.59729 17.67134 69.58630 18.89187 -27.98902      25.86849 
1 1 1 21  13 6  o 223.0759 5.363094 681.6973       32.20718 694.4656      45.39511 668.7557       45.70210 225.2290 7.485166 220.9228 7.682670 4.306168       10.72619 
1 1 1 21  13 7  o 44.08191 12.13541 10.41666       24.39228 47.13360      33.15029 -32.93206      36.01988 55.50013 18.71416 32.66370 15.45488 22.83643       24.27083 
1 1 1 21  13 8  o 156.8936 6.367064 345.7321       26.89354 354.3902      38.42514 337.4184       37.65302 158.8329 8.984451 154.9543 9.024282 3.878555       12.73413 
1 1 1 21  13 9  o 101.8357 10.62240 169.2547       26.86815 198.1018      35.59858 131.0696       40.95702 115.7919 11.41750 87.87956 17.91597 27.91235       21.24480 
1 1 1 21  13 10 o 63.69441 13.62959 78.63599       25.21399 71.41937      33.48540 88.08537       38.31693 60.93665 18.65708 66.45217 19.87402 -5.515518      27.25919 
1 1 1 21  15 0  o 323.8105 4.763372 1419.282       41.51023 1410.078      59.58177 1427.963       57.86454 322.7603 6.855669 324.8607 6.615032 -2.100372      9.526744 
1 1 1 21  15 1  o 156.8762 7.216840 359.8553       28.37024 247.1122      44.15265 439.1359       37.02504 133.9525 12.24116 179.7999 7.647557 -45.84740      14.43368 
1 1 1 21  15 2  o 162.9648 6.915146 359.9111       30.33728 369.0489      43.45278 351.2213       42.37434 164.9817 9.781343 160.9479 9.777644 4.033768       13.83029 
1 1 1 21  15 3  o 165.1754 6.119448 373.4690       27.20107 355.9841      37.98508 391.8725       38.97007 161.1776 8.752357 169.1731 8.554930 -7.995514      12.23890 
1 1 1 21  15 4  o 61.59543 13.31893 58.07377       24.17072 53.95590      33.83414 62.36573       34.54197 59.60762 18.83511 63.58324 18.83650 -3.975613      26.63785 
1 1 1 21  15 5  o 119.5650 8.170865 198.8037       26.13299 186.2950      34.64598 215.3139       39.80379 115.4053 11.14920 123.7248 11.94770 -8.319458      16.34173 
1 1 1 21  15 6  o 124.4150 7.500002 219.0520       25.06505 222.9529      34.49009 214.6857       36.48899 125.8234 10.18004 123.0065 11.01667 2.816917       15.00000 
1 1 1 21  15 7  o 102.4796 9.747160 159.5879       26.21277 178.1635      35.08473 136.1182       39.43664 110.7238 11.76776 94.23551 15.54182 16.48824       19.49432 
1 1 1 21  15 8  o 45.23421 13.17198 26.92539       26.54808 38.31423      34.35027 10.03174       41.83619 48.61386 18.67325 41.85455 18.58262 6.759315       26.34396 
1 1 1 21  15 9  o 46.23157 13.23160 32.52096       26.02561 13.45277      34.39634 58.05698       39.80466 38.92099 17.08187 53.54214 20.21164 -14.62115      26.46320 
1 1 1 21  17 0  f 63.06114 16.07968 52.45420       29.15235 -13.74154     87.94527 60.62575       30.89936 61.23980 27.07766 64.88248 17.35007 -3.642673      32.15937 
1 1 1 21  17 1  o 196.4108 4.796580 524.8258       25.36501 523.8840      36.11502 525.7427       35.63292 196.2213 6.835311 196.6004 6.731064 -0.3790588     9.593160 
1 1 1 21  17 2  o 139.5323 6.550540 269.4295       24.52528 269.7169      33.34696 269.0910       36.19591 139.7741 8.860252 139.2905 9.650609 0.4836426      13.10108 
1 1 1 21  17 3  o 175.8591 5.589817 411.7474       25.83725 371.1877      32.56211 480.6913       42.45346 164.7289 7.341067 186.9892 8.431664 -22.26024      11.17963 
1 1 1 21  17 4  o 54.64977 12.91621 45.78246       22.27714 49.76192      28.42521 39.44702       35.86573 56.68486 17.15489 52.61468 19.31383 4.070187       25.83243 
1 1 1 21  17 5  o 47.92242 11.94842 29.09822       23.32273 57.52462      29.01175 -22.83623      39.21397 60.03632 17.11345 35.80853 16.67899 24.22779       23.89684 
1 1 1 21  17 6  o 108.6029 10.62137 191.8942       27.19633 211.3360      33.59295 154.9130       46.33077 121.1141 10.30078 96.09161 18.57816 25.02251       21.24274 
1 1 1 21  17 7  o 49.67627 13.55068 43.31263       24.71632 41.87605      29.98213 46.35954       43.66430 48.81529 17.69813 50.53725 20.52461 -1.721954      27.10135 
1 1 1 21  19 0  o 50.29557 15.22969 18.08813       17.00474 17.58776      17.35196 30.21699       85.43035 37.50652 13.48252 63.08463 27.31292 -25.57811      30.45938 
1 1 1 21  19 1  o 335.2601 5.331727 1546.348       47.37489 1578.027      62.15041 1502.413       73.19202 339.9267 6.790087 330.5935 8.222163 9.333191       10.66345 
1 1 1 21  19 2  o 69.50044 12.97297 75.68214       21.31277 76.69364      23.51608 71.03040       50.42992 73.29663 11.91510 65.70425 23.04825 7.592384       25.94593 
1 1 1 21  19 3  o 63.87434 11.23917 81.11496       21.47885 100.1353      23.65328 -8.300155      51.28460 83.99279 10.45842 43.75590 19.89717 40.23689       22.47835 
1 1 1 21  19 4  o 38.54097 12.90154 -4.514896      23.86438 2.506196      24.90696 -83.15269      83.35545 33.74847 14.67956 43.33347 21.22050 -9.585003      25.80308 
1 1 1 21  19 5  o 43.83913 13.98054 16.45427       24.95608 17.52905      26.32544 6.922086       78.39919 38.81745 15.87014 48.86081 23.02087 -10.04336      27.96108 
1 1 1 21  19 6  o 47.64795 14.67079 33.75969       28.81236 29.54620      31.51855 55.18372       71.07160 43.28852 17.48774 52.00738 23.56071 -8.718853      29.34158 
1 1 1 21  21 0  o 59.89217 17.79037 46.26262       48.56026 45.45201      67.67734 47.12283       69.71725 59.54698 24.99076 60.23737 25.32689 -0.6903915     35.58075 
1 1 1 21  21 1  o 53.46464 16.48923 16.09367       46.32069 66.33836      68.49698 -26.24553      62.87785 62.65860 25.60628 44.27068 20.78214 18.38791       32.97846 
1 1 1 21  21 2  o 71.34244 11.90429 109.6437       10.07146 111.4890      10.18222 26.20538       68.46954 90.45981 4.180261 52.22507 23.43872 38.23473       23.80858 
1 1 1 21  21 3  o 53.52134 12.45084 46.07578       13.35266 46.74044      13.56472 25.31435       75.81248 56.97031 8.842576 50.07238 23.27879 6.897930       24.90167 
1 1 1 21  21 4  o 46.67132 13.87673 23.75965       15.99366 20.43017      16.45602 80.52436       67.94779 36.66721 13.13522 56.67544 24.44833 -20.00823      27.75347 
1 1 1 21  23 0  o 69.92552 18.70246 121.4021       48.38274 111.7431      68.12109 131.2345       68.73002 67.33271 26.17701 72.51834 26.71875 -5.185631      37.40491 
1 1 1 21  23 1  o 51.74882 16.14319 47.34417       45.76023 89.01085      64.86857 6.070409       64.56199 59.17736 24.62220 44.32029 20.88439 14.85707       32.28638 
1 1 1 22  0  0  o 42.50804 15.92532 35.21233       24.59568 30.53658      34.48079 40.05600       35.09444 40.18491 22.08445 44.83117 22.95083 -0.000000      0.000000 
1 1 1 22  0  1  o 477.0347 7.857242 3080.512       100.8013 3073.202      142.1569 3087.904       142.9556 476.4688 11.09385 477.6005 11.12976 -0.000000      0.000000 
1 1 1 22  0  2  o 64.23993 16.33175 74.53500       25.88349 71.74039      36.54402 77.34827       36.66584 62.54385 23.31063 65.93601 22.88054 -0.000000      0.000000 
1 1 1 22  0  3  o 194.6468 6.796658 516.2970       35.35976 551.8610      50.08795 480.9641       49.92496 201.4572 9.278340 187.8364 9.934315 -0.000000      0.000000 
1 1 1 22  0  4  o 60.42780 16.09494 67.88398       29.56932 106.4256      41.28279 27.27947       42.37320 80.61977 21.99733 40.23582 23.50119 -0.000000      0.000000 
1 1 1 22  0  5  o 74.88326 15.82634 101.4505       30.74944 141.7159      42.23322 56.02483       44.85793 97.45883 17.86690 52.30767 26.12788 -0.000000      0.000000 
1 1 1 22  0  6  o 35.56947 16.26125 -17.26625      39.24126 -64.39838     55.80416 28.83741       55.19195 27.18733 19.16975 43.95161 26.27231 -0.000000      0.000000 
1 1 1 22  0  7  o 122.8623 12.43325 229.3055       38.64025 225.1133      55.31245 233.3014       54.00223 121.3099 18.12548 124.4147 17.02379 -0.000000      0.000000 
1 1 1 22  0  8  o 27.40033 13.50621 -52.15695      36.12136 -95.39281     50.56081 -7.086504      51.62236 21.90144 15.87324 32.89923 21.85660 -0.000000      0.000000 
1 1 1 22  0  9  o 92.83778 17.66613 154.2336       38.33910 179.5835      51.21467 121.9182       57.82439 107.6690 19.58497 78.00652 29.40743 -0.000000      0.000000 
1 1 1 22  0  10 o 268.4025 7.849260 1005.800       56.26318 1020.780      76.51509 988.1666       83.01849 271.0611 10.51924 265.7439 11.65286 -0.000000      0.000000 
1 1 1 22  0  11 o 177.7011 9.283978 456.8423       43.80824 437.2680      60.10829 479.0205       63.98136 173.6996 13.01962 181.7026 13.23853 -0.000000      0.000000 
1 1 1 22  0  12 f 66.08943 20.27166 111.9812       41.55774 69.93175      56.55761 161.3258       61.26759 48.05250 27.54713 84.12637 29.74754 -0.000000      0.000000 
1 1 1 22  2  0  o 483.1756 5.601346 3152.337       72.87355 3164.745      103.4980 3140.138       102.6250 484.1153 7.939625 482.2360 7.903335 1.879303       11.20269 
1 1 1 22  2  1  o 291.5675 4.307787 1146.621       33.81073 1173.806      48.51819 1120.956       47.14266 294.9235 6.109587 288.2115 6.074625 6.712036       8.615574 
1 1 1 22  2  2  o 175.6102 4.607046 416.7729       21.76970 410.9388      31.24677 422.2758       30.34695 174.4028 6.653774 176.8176 6.373915 -2.414734      9.214092 
1 1 1 22  2  3  o 202.5416 4.481802 554.2684       24.43676 568.2795      34.55341 540.2486       34.56419 205.1115 6.256298 199.9716 6.419107 5.139923       8.963605 
1 1 1 22  2  4  o 48.16998 12.72384 24.92261       22.23372 21.05303      31.18710 28.92198       31.70578 46.43341 17.80293 49.90654 18.18352 -3.473122      25.44769 
1 1 1 22  2  5  o 300.5963 6.878190 1222.582       55.67255 0.000000      0.000000 1222.582       55.67255 ?        ?        300.5963 6.878190 ?              ?        
1 1 1 22  2  6  o 96.16847 12.82375 131.0608       31.98149 124.5478      45.10225 137.6473       45.35614 93.61396 18.54840 98.72298 17.71302 -5.109024      25.64750 
1 1 1 22  2  7  f 58.45897 13.81183 50.71520       25.88536 67.33955      38.32809 36.77362       35.09948 65.12800 19.96403 51.78995 19.09199 13.33805       27.62366 
1 1 1 22  2  8  o 238.5945 5.356078 779.0182       34.30262 801.4848      50.84299 760.2475       46.47341 241.6042 7.815258 235.5848 7.326118 6.019424       10.71216 
1 1 1 22  2  9  o 146.1511 7.021102 297.5885       27.58460 321.5613      40.20010 276.2572       37.92065 151.7455 9.838476 140.5567 10.01937 11.18878       14.04220 
1 1 1 22  2  10 o 66.60338 13.51494 71.73140       26.31893 98.69154      38.89367 48.95800       35.74636 77.59321 18.81067 55.61356 19.41064 21.97965       27.02987 
1 1 1 22  2  11 o 40.08328 12.60961 5.325027       27.38635 4.375758      38.69587 6.277667       38.76453 39.84454 17.76962 40.32202 17.89553 -0.4774818     25.21923 
1 1 1 22  2  12 o 61.19195 13.92398 75.09562       26.05743 75.48595      36.68907 74.69833       37.01462 61.43200 19.63525 60.95190 19.74755 0.4800987      27.84796 
1 1 1 22  4  0  o 272.5469 4.252559 1001.894       31.19749 988.1805      43.43355 1016.511       44.83987 270.6263 5.960352 274.4675 6.067225 -3.841156      8.505117 
1 1 1 22  4  1  o 350.8450 4.649608 1660.210       43.89354 1611.864      60.67800 1713.279       63.57282 345.5019 6.522249 356.1881 6.628399 -10.68619      9.299215 
1 1 1 22  4  2  o 38.81123 11.13816 7.608433       18.52601 -2.074610     26.68785 16.61410       25.73746 35.55679 15.33023 42.06567 16.16226 -6.508888      22.27633 
1 1 1 22  4  3  o 431.9283 5.288323 2522.662       61.49336 2551.159      88.01200 2495.482       85.95401 434.2985 7.526103 429.5581 7.431233 4.740417       10.57665 
1 1 1 22  4  4  o 168.5049 5.753670 384.2454       25.98335 392.1690      38.84008 377.8265       34.95778 170.0232 8.483763 166.9866 7.774614 3.036636       11.50734 
1 1 1 22  4  5  o 285.6154 4.867775 1105.373       37.35520 1164.414      55.09140 1055.126       50.82285 292.6074 6.992221 278.6234 6.774199 13.98395       9.735550 
1 1 1 22  4  6  o 109.8510 11.85886 165.6777       34.97596 154.1578      50.04976 176.6732       48.89731 106.0233 17.53142 113.6786 15.97434 -7.655251      23.71772 
1 1 1 22  4  7  o 192.4866 5.960518 505.9164       30.66902 510.4818      46.32372 502.3535       40.92192 193.0903 8.909627 191.8829 7.920205 1.207397       11.92104 
1 1 1 22  4  8  o 257.0449 5.178182 905.8245       35.77234 875.0170      51.62402 934.2811       49.61520 252.6786 7.587523 261.4112 7.048670 -8.732574      10.35636 
1 1 1 22  4  9  o 90.55457 11.05460 123.2356       26.31092 114.3099      37.25175 132.1207       37.16693 86.19022 16.65385 94.91891 14.54188 -8.728683      22.10921 
1 1 1 22  4  10 o 49.31861 12.98142 27.64376       25.63887 62.84162      37.03179 -4.761463      35.53236 61.12634 19.74672 37.51088 16.85633 23.61546       25.96284 
1 1 1 22  4  11 o 98.07162 9.848796 150.9152       25.77666 162.3930      35.40598 137.9706       37.60032 103.1584 12.74643 92.98483 15.01744 10.17359       19.69759 
1 1 1 22  6  0  o 471.3154 5.527516 2998.906       70.08712 3082.357      101.7471 2923.555       96.68304 477.5248 7.913025 465.1059 7.719960 12.41888       11.05503 
1 1 1 22  6  1  o 114.6484 6.314727 177.2945       19.44906 193.8959      28.56166 162.9409       26.55777 119.6357 8.866234 109.6611 8.994054 9.974609       12.62945 
1 1 1 22  6  2  o 291.8615 4.424681 1150.738       34.76701 1124.345      49.10280 1177.271       49.23340 288.4955 6.320972 295.2275 6.193264 -6.732056      8.849361 
1 1 1 22  6  3  o 110.9889 7.658520 166.9581       22.78618 175.7159      34.18348 159.9549       30.56785 113.5551 11.17960 108.4227 10.47035 5.132347       15.31704 
1 1 1 22  6  4  o 58.70493 12.98084 47.17961       22.96243 57.27833      33.32062 38.04604       31.68838 63.43895 18.41877 53.97090 18.29639 9.468044       25.96168 
1 1 1 22  6  5  o 167.9290 6.775836 385.8169       30.49762 364.0773      44.50010 405.0714       41.87941 163.3341 10.11814 172.5239 9.015044 -9.189850      13.55167 
1 1 1 22  6  6  f 199.7252 8.670817 548.5884       46.63116 0.000000      0.000000 548.5884       46.63116 ?        ?        199.7252 8.670817 ?              ?        
1 1 1 22  6  7  o 28.04222 9.776918 -77.47435      26.74698 -104.3659     39.80349 -55.33388      36.11658 26.39039 13.21440 29.69405 14.41292 -3.303654      19.55384 
1 1 1 22  6  8  o 124.9440 8.197542 220.0618       27.35792 206.3907      40.49221 231.5436       37.10872 120.9839 12.42970 128.9041 10.69118 -7.920280      16.39508 
1 1 1 22  6  9  o 58.06995 13.68477 53.37979       25.11839 57.03009      35.28209 49.62815       35.76844 59.69770 19.27346 56.44219 19.43259 3.255512       27.36954 
1 1 1 22  6  10 o 135.2595 7.516313 264.2793       27.34089 275.0857      38.37184 253.1353       38.96672 138.3475 10.30049 132.1714 10.94896 6.176102       15.03263 
1 1 1 22  6  11 o 76.23607 12.92850 107.0188       26.42091 90.58635      37.52187 123.1789       37.20971 68.64725 19.42556 83.82489 17.06552 -15.17764      25.85699 
1 1 1 22  8  0  o 332.7143 4.544358 1495.164       40.70193 1497.801      58.25099 1492.648       56.89539 332.9891 6.496656 332.4395 6.355959 0.5496521      9.088716 
1 1 1 22  8  1  o 103.9199 7.045485 149.3216       19.16639 133.5930      29.94870 160.2320       24.94335 99.08227 11.22532 108.7576 8.517493 -9.675339      14.09097 
1 1 1 22  8  2  o 381.7038 5.016529 1970.542       51.55328 1963.284      73.42680 1977.597       72.39879 380.9954 7.157338 382.4122 7.030985 -1.416840      10.03306 
1 1 1 22  8  3  o 195.4089 7.408683 517.0399       38.98241 0.000000      0.000000 517.0399       38.98241 ?        ?        195.4089 7.408683 ?              ?        
1 1 1 22  8  4  o 171.6346 6.001213 410.4091       27.73211 403.5974      39.19866 417.2350       39.23963 170.1623 8.555089 173.1069 8.418353 -2.944641      12.00243 
1 1 1 22  8  5  o 128.7300 8.882251 224.0678       30.68048 244.3277      45.76890 207.5351       41.34507 133.9655 12.68803 123.4945 12.43348 10.47092       17.76450 
1 1 1 22  8  6  f 57.49660 12.76732 44.47353       24.42410 12.43803      35.18294 74.27282       33.93277 44.38039 18.26882 70.61282 17.84007 -26.23243      25.53464 
1 1 1 22  8  7  o 47.26193 13.06447 21.27922       25.32772 -0.2271487    37.22819 39.81141       34.55825 40.97748 17.88297 53.54639 19.05047 -12.56891      26.12893 
1 1 1 22  8  8  o 123.5950 8.136830 217.1642       26.94533 191.0605      37.65641 244.5542       38.57302 115.6397 12.09341 131.5503 10.88951 -15.91062      16.27366 
1 1 1 22  8  9  o 96.59241 10.29869 141.0605       25.74253 113.2823      35.58883 171.5431       37.28096 85.00647 16.13839 108.1784 12.79862 -23.17188      20.59739 
1 1 1 22  8  10 o 54.43160 13.72347 50.91581       26.26077 32.21328      36.51801 70.94540       37.79139 46.86020 18.86118 62.00301 19.93968 -15.14281      27.44695 
1 1 1 22  8  11 o 56.51265 13.83460 64.02372       26.28457 77.39420      36.58632 49.76147       37.78675 62.30862 19.57266 50.71668 19.55750 11.59193       27.66920 
1 1 1 22  10 0  o 97.22502 7.219478 123.8959       18.56700 158.4373      29.59439 101.4750       23.84323 108.0128 10.17538 86.43722 10.24427 21.57560       14.43896 
1 1 1 22  10 1  o 205.7431 4.879118 573.7350       26.90814 558.2291      39.68593 586.9288       36.60788 203.1154 7.256219 208.3708 6.524605 -5.255478      9.758237 
1 1 1 22  10 2  o 249.2493 4.990680 840.2668       33.44992 849.5961      48.69711 831.9328       46.02644 250.5289 7.218751 247.9697 6.893270 2.559128       9.981359 
1 1 1 22  10 3  o 461.4098 5.977114 2964.164       74.21246 3018.778      107.2615 2914.012       102.7860 465.2836 8.561361 457.5359 8.343061 7.747681       11.95423 
1 1 1 22  10 4  o 143.4891 8.639853 275.9143       33.12051 312.1594      50.87036 249.2446       43.63636 151.5272 12.46783 135.4510 11.96418 16.07613       17.27971 
1 1 1 22  10 5  o 221.5208 5.489442 663.1931       32.47101 716.9100      49.90015 623.7427       42.76339 229.1024 8.088890 213.9391 7.423325 15.16321       10.97888 
1 1 1 22  10 6  o 65.26176 13.49175 65.90667       25.20879 64.29210      35.99823 67.46034       35.31287 64.49857 19.25732 66.02497 18.90145 -1.526405      26.98351 
1 1 1 22  10 7  o 76.65574 12.43347 92.55652       25.36852 71.40455      36.61596 112.0821       35.18013 67.06646 19.26089 86.24502 15.72840 -19.17856      24.86693 
1 1 1 22  10 8  o 236.3465 5.266356 772.5186       33.48483 729.7893      46.99453 816.5835       47.72329 229.5770 7.602137 243.1160 7.290099 -13.53905      10.53271 
1 1 1 22  10 9  o 127.1231 8.157928 237.3884       27.90442 225.4833      38.88674 250.0259       40.06525 123.7127 11.67357 130.5334 11.39890 -6.820663      16.31586 
1 1 1 22  10 10 o 154.8697 7.192609 356.3500       29.97783 372.1624      43.11117 341.5464       41.71348 158.2736 10.11575 151.4657 10.22772 6.807892       14.38522 
1 1 1 22  12 0  o 127.1820 7.121589 210.0155       23.62606 261.6628      39.92953 182.1931       29.30680 138.5741 10.70111 115.7900 9.399703 22.78413       14.24318 
1 1 1 22  12 1  o 172.3790 5.658902 402.9539       26.24742 390.0593      37.39443 415.4761       36.85046 169.6328 8.186790 175.1252 7.814676 -5.492340      11.31780 
1 1 1 22  12 2  o 85.55704 12.96323 108.0296       28.97864 118.3248      41.57355 98.30031       40.41498 89.77721 17.82631 81.33686 18.82562 8.440353       25.92646 
1 1 1 22  12 3  o 69.74507 14.57656 66.18928       31.85230 104.0001      44.53333 26.58599       45.57670 84.88594 19.83981 54.60420 21.36085 30.28174       29.15311 
1 1 1 22  12 4  o 225.0665 5.484130 690.4232       33.22961 673.5557      46.55564 707.9409       47.44450 222.2566 7.779188 227.8764 7.732202 -5.619827      10.96826 
1 1 1 22  12 5  o 141.5751 6.998094 278.2257       26.64797 279.4358      38.63695 277.1279       36.80182 141.7703 10.12125 141.3799 9.667142 0.3903961      13.99619 
1 1 1 22  12 6  o 131.1461 7.293607 241.8718       25.61849 229.1673      37.55158 252.9330       35.03883 127.5986 10.92946 134.6936 9.660936 -7.094940      14.58721 
1 1 1 22  12 7  o 30.49743 10.34016 -45.73781      24.90399 -72.02796     35.30019 -19.68651      35.13948 26.59355 13.17145 34.40130 15.94328 -7.807751      20.68031 
1 1 1 22  12 8  o 248.8325 5.460598 866.5599       36.58119 860.2834      51.19647 873.1068       52.28803 247.9797 7.667266 249.6854 7.777246 -1.705658      10.92120 
1 1 1 22  12 9  o 131.0882 7.916896 261.8599       27.62867 287.0808      37.92632 233.3407       40.33004 139.1870 10.11950 122.9894 12.17804 16.19753       15.83379 
1 1 1 22  14 0  o 170.6096 6.214932 414.5659       27.91612 345.4041      41.51241 471.6637       37.71846 156.5765 9.846182 184.6426 7.586451 -28.06606      12.42986 
1 1 1 22  14 1  o 164.0343 7.886055 344.9724       33.45581 522.0079      54.16648 235.7794       42.54004 196.2952 10.24796 131.7734 11.98911 64.52180       15.77211 
1 1 1 22  14 2  o 108.2128 9.264234 172.8112       26.55643 140.7250      37.72929 204.3161       37.38598 97.25922 14.40670 119.1664 11.65123 -21.90713      18.52847 
1 1 1 22  14 3  o 192.1180 5.790409 506.8742       29.92393 489.9626      42.77993 523.0757       41.87232 188.8783 8.411522 195.3577 7.960001 -6.479370      11.58082 
1 1 1 22  14 4  o 154.4072 6.435357 328.9327       26.74892 339.4721      38.04662 318.6313       37.61446 156.8915 9.006024 151.9228 9.194932 4.968750       12.87071 
1 1 1 22  14 5  f 54.63991 13.29681 44.30451       24.26314 30.59140      34.72538 57.38542       33.91549 48.95114 18.78155 60.32867 18.82748 -11.37753      26.59362 
1 1 1 22  14 6  o 126.8054 7.490751 228.5819       25.43699 260.7997      36.69598 198.7826       35.29176 135.7473 10.03931 117.8635 11.12014 17.88376       14.98150 
1 1 1 22  14 7  o 100.3782 9.659871 153.4329       25.97184 137.7504      36.80906 168.9809       36.65090 94.57344 14.45447 106.1830 12.81876 -11.60958      19.31974 
1 1 1 22  14 8  o 113.4643 8.913262 200.2269       27.20164 190.2700      37.44261 211.3556       39.58456 110.5114 12.58276 116.4173 12.62772 -5.905952      17.82652 
1 1 1 22  16 0  o 175.8260 5.520870 431.6720       25.63490 414.1875      39.87401 443.9898       33.46801 172.2136 8.598823 179.4383 6.926781 -7.224655      11.04174 
1 1 1 22  16 1  o 289.3059 4.809576 1139.201       37.43365 1154.534      54.23986 1125.257       51.72780 291.1060 6.919649 287.5059 6.681807 3.600159       9.619152 
1 1 1 22  16 2  o 48.89367 12.51196 31.48779       21.12231 34.65318      31.26618 28.83031       28.64814 50.53659 18.10537 47.25076 17.27405 3.285828       25.02393 
1 1 1 22  16 3  o 36.16465 11.23718 -3.969064      21.36826 -13.88076     30.44650 5.652168       29.99707 33.57619 15.29235 38.75312 16.46939 -5.176929      22.47436 
1 1 1 22  16 4  o 72.07121 10.53498 77.93275       22.30725 146.4415      32.88814 19.55959       30.35797 101.0088 12.09196 43.13359 17.25479 57.87524       21.06996 
1 1 1 22  16 5  o 78.25572 11.26658 95.49623       23.54368 55.82986      31.87152 143.1403       34.92981 58.19883 18.26582 98.31261 13.19483 -40.11377      22.53317 
1 1 1 22  16 6  o 65.28516 13.27060 71.82024       24.91890 49.48654      32.12015 105.5830       39.49264 53.44931 18.41418 77.12102 19.11420 -23.67171      26.54119 
1 1 1 22  16 7  o 47.03410 13.30229 38.49103       25.39075 34.02964      34.08036 44.05666       38.06506 45.22283 18.21423 48.84536 19.39190 -3.622528      26.60459 
1 1 1 22  18 0  o 136.3844 5.303687 254.4404       19.29519 252.5363      25.56308 256.9616       29.41575 135.9459 6.983347 136.8230 7.984313 -0.8770447     10.60737 
1 1 1 22  18 1  o 221.6759 4.589878 672.0450       27.33650 678.9362      37.55113 664.2754       39.87252 223.0043 6.253548 220.3476 6.720198 2.656693       9.179756 
1 1 1 22  18 2  o 141.2071 5.930077 277.4049       22.47857 268.6044      32.75993 285.2348       30.90049 138.8913 8.759607 143.5229 7.995780 -4.631607      11.86015 
1 1 1 22  18 3  o 57.78693 12.02031 54.24172       19.94804 58.30702      25.75667 48.14836       31.53352 60.76409 15.64752 54.80977 18.25119 5.954319       24.04061 
1 1 1 22  18 4  f 64.12304 12.91870 69.71729       22.83965 65.94576      28.75686 76.16133       37.58913 62.92156 16.69667 65.32452 19.71782 -2.402966      25.83739 
1 1 1 22  18 5  o 33.05869 10.74018 -6.443672      21.89876 -1.713456     29.66917 -12.10471      32.45734 33.59569 15.22097 32.52170 15.15678 1.073994       21.48036 
1 1 1 22  20 0  o 69.23083 13.69129 78.59558       17.69571 79.86000      18.28178 59.81749       70.45285 75.56672 8.984718 62.89495 25.86659 12.67177       27.38258 
1 1 1 22  20 1  o 41.08427 13.27709 2.190113       18.91031 0.3879342     19.77875 21.37098       64.52589 30.05247 13.07664 52.11607 23.11116 -22.06360      26.55417 
1 1 1 22  20 2  o 69.17209 13.62962 88.82664       22.07513 91.53959      23.34289 65.86617       67.90866 79.09312 10.96056 59.25106 24.95861 19.84206       27.25924 
1 1 1 22  20 3  o 79.32626 14.51303 120.3538       25.97271 118.1981      28.09894 133.0026       68.06395 87.89516 11.87248 70.75736 26.48691 17.13779       29.02607 
1 1 1 22  22 0  o 45.74520 15.02547 -11.66041      47.02423 -78.52945     66.18877 56.49088       66.82035 36.91007 18.23625 54.58034 23.88511 -17.67027      30.05095 
1 1 1 22  22 1  o 56.11626 16.66042 66.02638       46.43545 8.317616      66.11228 122.2151       65.23577 44.80667 21.11970 67.42585 25.77280 -22.61917      33.32085 
1 1 1 23  1  0  o 71.25011 9.793988 73.74459       18.25757 37.69608      25.82413 109.7707       25.81610 52.57296 16.43236 89.92728 10.66144 -37.35432      19.58798 
1 1 1 23  1  1  o 171.2330 4.871899 397.5717       22.36309 380.7989      32.79657 412.1471       30.57277 167.8099 7.258176 174.6562 6.500807 -6.846375      9.743798 
1 1 1 23  1  2  o 213.4612 4.606129 614.4878       26.44786 640.5714      38.48561 591.1459       36.40675 217.7399 6.564125 209.1824 6.463586 8.557587       9.212257 
1 1 1 23  1  3  o 211.8804 5.107171 607.5969       29.13374 619.3593      41.59582 596.2703       40.81786 213.8928 7.222210 209.8680 7.223050 4.024811       10.21434 
1 1 1 23  1  4  o 63.20584 12.83002 58.66634       23.28050 46.76038      32.90515 70.59905       32.94209 57.39034 18.62165 69.02134 17.65424 -11.63100      25.66005 
1 1 1 23  1  5  o 163.1219 7.918584 361.1883       34.75322 346.8174      49.35963 375.3159       48.93999 159.8726 11.46607 166.3712 10.92452 -6.498657      15.83717 
1 1 1 23  1  6  o 118.5071 8.576509 195.3688       27.34991 194.3646      39.32651 196.3095       38.06173 118.1383 12.36264 118.8760 11.89080 -0.7376404     17.15302 
1 1 1 23  1  7  o 142.0737 7.173967 280.8135       27.42231 269.1841      38.88353 292.3211       38.67928 139.0375 10.38605 145.1099 9.899150 -6.072418      14.34793 
1 1 1 23  1  8  o 115.8635 8.774151 192.1146       27.37364 191.2290      38.67370 193.0037       38.75077 115.5863 12.42584 116.1407 12.39118 -0.5543365     17.54830 
1 1 1 23  1  9  o 34.63783 11.44748 -24.42036      26.59255 -15.39284     37.52549 -33.52727      37.69016 36.26812 16.68941 33.00755 15.67299 3.260571       22.89495 
1 1 1 23  1  10 o 84.63654 12.43700 121.4213       27.36478 120.0746      37.42315 122.9688       40.11635 84.70954 16.99787 84.56352 18.16009 0.1460190      24.87401 
1 1 1 23  1  11 o 56.09950 14.14196 64.16183       27.10826 58.05363      39.36561 69.67078       37.38478 53.57144 20.12572 58.62756 19.87297 -5.056114      28.28391 
1 1 1 23  3  0  o 236.7496 4.354252 756.8799       27.75543 749.9224      39.38970 763.7411       39.11596 235.6634 6.207364 237.8358 6.107919 -2.172485      8.708504 
1 1 1 23  3  1  o 116.4762 6.654734 184.7695       20.78320 199.8894      29.00416 168.8133       29.79559 121.4421 8.869672 111.5102 9.923248 9.931908       13.30947 
1 1 1 23  3  2  o 147.1906 5.950965 294.2574       23.51454 280.3526      34.08012 306.8919       32.48628 143.8210 8.800257 150.5603 8.013204 -6.739258      11.90193 
1 1 1 23  3  3  o 282.9771 4.776716 1083.507       36.38551 1071.637      51.93494 1094.949       50.99178 281.4349 6.853277 284.5193 6.655873 -3.084351      9.553432 
1 1 1 23  3  4  o 140.6529 7.387802 283.1615       27.66684 251.1837      40.52494 311.0779       37.86409 132.4970 11.35881 148.8087 9.449653 -16.31166      14.77560 
1 1 1 23  3  5  o 177.4333 7.613903 428.1038       36.29776 411.4829      52.42661 443.4066       50.30468 174.0627 11.18569 180.8038 10.33279 -6.741135      15.22781 
1 1 1 23  3  6  o 162.1086 6.516494 358.6049       28.38023 387.6583      41.82528 333.8139       38.63562 168.1595 9.237063 156.0577 9.194316 12.10187       13.03299 
1 1 1 23  3  7  o 149.3564 7.050169 309.5198       28.34638 306.3535      40.40530 312.5885       39.77773 148.5457 10.10171 150.1672 9.837429 -1.621429      14.10034 
1 1 1 23  3  8  o 152.5842 6.814172 326.6255       27.91773 308.5289      40.18663 343.5058       38.81249 148.2234 10.06888 156.9449 9.184191 -8.721481      13.62834 
1 1 1 23  3  9  o 41.52072 12.61322 10.05611       25.37714 12.86490      36.43428 7.409483       35.36690 42.50023 18.10832 40.54120 17.56308 1.959030       25.22643 
1 1 1 23  3  10 o 80.63117 12.72862 113.1034       26.93564 115.5466      38.41909 110.7414       37.77459 81.54095 17.98134 79.72139 18.02061 1.819565       25.45724 
1 1 1 23  5  0  o 474.9224 5.605644 3048.035       71.60060 3135.627      104.3422 2970.083       98.43305 481.3238 8.050803 468.5209 7.802407 12.80289       11.21129 
1 1 1 23  5  1  o 353.3278 4.750155 1687.163       45.18583 1677.307      64.35874 1696.745       63.45565 352.2970 6.784458 354.3586 6.650341 -2.061615      9.500311 
1 1 1 23  5  2  o 360.2197 5.026288 1754.471       48.68226 1784.365      71.02651 1727.984       66.85677 363.0695 7.265197 357.3699 6.947748 5.699615       10.05258 
1 1 1 23  5  3  o 76.57122 11.68382 81.38297       24.05977 113.8289      35.88651 54.89088       32.42717 90.96400 14.65137 62.17844 18.20395 28.78555       23.36764 
1 1 1 23  5  4  o 137.8955 8.787848 263.6313       32.02831 212.4016      46.23369 310.9013       44.41099 124.5963 13.78066 151.1947 10.90864 -26.59846      17.57570 
1 1 1 23  5  5  o 34.24543 11.38932 -39.65336      28.03031 -74.07726     41.55611 -10.91723      37.96811 30.14031 14.80526 38.35056 17.31101 -8.210241      22.77865 
1 1 1 23  5  6  o 88.87280 11.61052 115.5270       26.93003 148.0478      40.04305 88.67164       36.38834 101.6097 14.63554 76.13591 18.02824 25.47377       23.22103 
1 1 1 23  5  7  o 89.55075 11.33595 122.9489       25.79495 84.67819      37.95913 155.7845       35.16055 73.98245 18.96600 105.1190 12.42198 -31.13660      22.67189 
1 1 1 23  5  8  o 115.4973 8.488997 191.5220       26.34770 194.9664      36.37467 187.7202       38.21603 116.8483 11.56095 114.1463 12.43370 2.701965       16.97799 
1 1 1 23  5  9  o 63.30230 13.58200 68.75085       25.31946 77.23927      35.99426 60.43670       35.62287 67.14781 19.03467 59.45679 19.37947 7.691021       27.16400 
1 1 1 23  5  10 o 51.40054 13.40520 45.20423       26.59067 16.02253      37.31132 75.32277       37.90551 40.92536 17.88041 61.87571 19.97721 -20.95036      26.81041 
1 1 1 23  7  0  o 352.6941 4.714419 1679.107       44.74228 1733.527      64.74347 1629.359       61.90239 358.1487 6.713503 347.2394 6.620564 10.90927       9.428838 
1 1 1 23  7  1  o 81.26713 10.50206 92.78411       22.00970 133.0338      32.39678 58.28193       29.99465 98.71615 12.18794 63.81811 17.10636 34.89804       21.00413 
1 1 1 23  7  2  o 304.5720 4.781759 1245.136       39.05256 1366.415      58.56401 1148.025       52.40513 317.8064 6.843601 291.3376 6.680268 26.46884       9.563518 
1 1 1 23  7  3  o 130.9625 7.345076 241.6802       25.51647 247.3839      39.78807 237.6956       33.25565 131.7515 11.21538 130.1735 9.487671 1.578079       14.69015 
1 1 1 23  7  4  o 224.7122 6.082052 684.8598       36.71331 650.2333      52.85186 717.1486       51.03663 219.1629 8.955914 230.2616 8.231466 -11.09868      12.16410 
1 1 1 23  7  5  o 118.8142 8.092426 191.5081       25.63564 227.3401      39.63144 165.7291       33.61538 128.1730 11.48312 109.4554 11.40559 18.71761       16.18485 
1 1 1 23  7  6  o 164.6729 6.397285 373.7859       28.30496 384.9230      41.64552 364.2243       38.58766 166.8452 9.269819 162.5006 8.818813 4.344620       12.79457 
1 1 1 23  7  7  o 39.20602 12.11247 -2.563108      24.82018 14.70856      35.38004 -19.30051      34.82854 43.74646 18.19139 34.66558 15.99754 9.080883       24.22495 
1 1 1 23  7  8  o 67.82642 12.82045 75.89626       24.59196 54.72239      35.41935 95.60368       34.17080 58.01105 19.34430 77.64179 16.83015 -19.63074      25.64091 
1 1 1 23  7  9  o 82.13902 11.62704 110.7641       24.80855 101.8621      34.38712 120.4268       35.82629 78.26770 16.81767 86.01035 16.05983 -7.742645      23.25407 
1 1 1 23  7  10 f 41.51015 12.36304 15.41644       25.24865 -13.37802     34.82489 47.32497       36.65968 33.04988 15.49922 49.97042 19.26533 -16.92054      24.72607 
1 1 1 23  9  0  f 177.0196 5.385809 424.3416       25.66130 420.3210      36.71588 428.1810       35.87970 176.1837 7.739354 177.8555 7.492006 -1.671738      10.77162 
1 1 1 23  9  1  o 173.1398 5.752852 408.7933       26.64732 362.9844      38.20965 452.1700       37.18139 163.5587 8.675929 182.7208 7.557083 -19.16208      11.50570 
1 1 1 23  9  2  o 234.7069 5.392309 759.6511       33.93413 778.0627      50.60919 744.6121       45.73964 237.0406 7.929088 232.3732 7.310101 4.667435       10.78462 
1 1 1 23  9  3  o 314.5472 5.847657 1336.751       49.50527 1363.158      71.33089 1312.212       68.76181 317.5309 8.342732 311.5635 8.196291 5.967407       11.69531 
1 1 1 23  9  4  o 101.1624 10.69040 155.0966       26.70816 108.6033      40.26467 191.6251       35.68985 84.93233 18.15651 117.3925 11.29070 -32.46016      21.38081 
1 1 1 23  9  5  o 170.7175 6.190691 399.2710       28.35482 442.4806      42.22827 363.7938       38.26376 179.0664 8.758018 162.3686 8.751898 16.69781       12.38138 
1 1 1 23  9  6  o 100.8185 9.407512 145.0554       25.44545 129.3964      35.36411 161.8650       36.64042 94.94704 13.83241 106.6900 12.75420 -11.74300      18.81502 
1 1 1 23  9  7  o 51.71589 13.14499 36.79938       24.29794 18.11762      33.54918 57.40926       35.23795 43.69471 17.89585 59.73707 19.25881 -16.04236      26.28998 
1 1 1 23  9  8  o 46.47289 12.82502 24.11373       25.38224 -5.639727     36.31961 52.51817       35.48670 37.17105 16.84078 55.77474 19.34717 -18.60369      25.65004 
1 1 1 23  9  9  o 112.7642 9.269350 199.9630       28.08007 209.5210      39.27469 189.9680       40.16263 116.1930 12.55306 109.3354 13.64200 6.857605       18.53870 
1 1 1 23  11 0  o 381.0729 5.216247 1964.691       53.46906 1988.360      77.59170 1943.288       73.78517 383.2169 7.519469 378.9288 7.231495 4.288116       10.43249 
1 1 1 23  11 1  o 51.14791 13.15381 32.59748       26.00880 -3.429909     41.28304 56.30857       33.49123 41.83104 18.52116 60.46479 18.68307 -18.63375      26.30761 
1 1 1 23  11 2  o 238.2201 6.351553 769.0369       40.68495 729.8932      57.93469 807.1244       57.14780 232.1916 9.266353 244.2487 8.689281 -12.05713      12.70311 
1 1 1 23  11 3  o 226.4221 5.567722 701.3196       33.87078 683.6301      49.17825 717.2831       46.71748 223.5770 8.168879 229.2671 7.567531 -5.690094      11.13544 
1 1 1 23  11 4  o 46.68386 13.08429 22.52498       24.48393 17.12951      37.04419 26.71021       32.62610 45.81087 18.78862 47.55685 18.21488 -1.745983      26.16858 
1 1 1 23  11 5  o 177.9450 5.935415 435.4494       28.37103 445.5329      41.78178 426.8223       38.64676 179.7378 8.633046 176.1521 8.147829 3.585754       11.87083 
1 1 1 23  11 6  o 112.6807 9.069972 183.5536       26.98188 231.8297      39.37668 140.8229       37.04615 127.4278 11.47602 97.93364 14.04843 29.49419       18.13994 
1 1 1 23  11 7  o 55.35825 13.56239 49.92354       24.90508 39.05565      34.33240 61.99435       36.18259 50.48425 18.82854 60.23225 19.52537 -9.747997      27.12478 
1 1 1 23  11 8  o 93.99568 11.08219 145.4229       27.40384 155.0883      39.00854 136.0048       38.50611 98.32375 14.73391 89.66761 16.55814 8.656143       22.16438 
1 1 1 23  13 0  o 106.8385 12.29390 143.7207       32.23962 288.5439      54.33963 65.05028       40.05008 145.5278 13.86716 68.14926 20.30424 77.37851       24.58780 
1 1 1 23  13 1  o 85.72955 13.18519 112.8471       29.47467 96.89819      44.18649 125.6329       39.56270 79.17985 20.54718 92.27925 16.52908 -13.09940      26.37038 
1 1 1 23  13 2  o 122.7822 8.033444 213.6767       25.86859 167.0856      37.76883 254.8466       35.50358 109.4052 12.82071 136.1591 9.683714 -26.75392      16.06689 
1 1 1 23  13 3  o 64.07468 13.51448 62.01632       25.33304 78.47520      37.54942 48.26630       34.32058 71.02368 19.18291 57.12567 19.04155 13.89801       27.02896 
1 1 1 23  13 4  o 149.6728 6.799368 309.1241       27.28078 348.0811      40.81489 277.6647       36.67760 158.1366 9.585235 141.2089 9.646185 16.92778       13.59874 
1 1 1 23  13 5  o 58.58728 11.39705 49.36304       23.52520 -5.587753     34.29100 98.22206       32.33445 37.18565 16.64522 79.98890 15.57266 -42.80325      22.79411 
1 1 1 23  13 6  o 115.5033 7.910914 193.5485       24.59108 192.2947      34.19351 194.8917       35.39150 115.2405 11.01933 115.7661 11.35362 -0.5256119     15.82183 
1 1 1 23  13 7  o 46.07889 13.07712 32.91297       24.74581 35.35682      35.47665 30.59725       34.53409 46.96331 18.69689 45.19446 18.28854 1.768856       26.15424 
1 1 1 23  15 0  o 92.61070 10.84584 132.4715       24.16973 93.96551      39.68979 155.1677       30.47132 79.14307 18.88714 106.0783 10.66795 -26.93526      21.69169 
1 1 1 23  15 1  o 347.5596 5.209256 1652.721       48.59847 1685.925      71.92109 1624.821       65.92672 350.5560 7.619308 344.5631 7.105739 5.992828       10.41851 
1 1 1 23  15 2  o 47.85491 12.52792 26.44275       21.89444 42.04290      32.39180 13.31995       29.70872 54.21036 18.49775 41.49947 16.90055 12.71089       25.05585 
1 1 1 23  15 3  o 35.89922 11.30261 -5.059686      21.91096 -2.690669     32.87541 -6.953040      29.39024 37.42900 16.55218 34.36945 15.39548 3.059547       22.60521 
1 1 1 23  15 4  o 127.3820 7.383058 230.3344       25.29654 216.2784      35.08978 245.5441       36.50138 123.2563 10.57275 131.5077 10.30801 -8.251358      14.76612 
1 1 1 23  15 5  o 46.02301 12.50072 24.91179       24.01238 52.67226      33.52398 -4.336590      34.41066 55.61311 18.81901 36.43291 16.45955 19.18021       25.00144 
1 1 1 23  15 6  o 39.64462 17.58807 11.15757       37.40876 0.000000      0.000000 11.15757       37.40876 ?        ?        39.64462 17.58807 ?              ?        
1 1 1 23  17 0  o 124.6185 6.127476 216.1819       20.14840 200.3216      31.09427 227.6610       26.45331 120.3222 9.597345 128.9148 7.620684 -8.592567      12.25495 
1 1 1 23  17 1  o 131.5315 6.272331 247.9561       21.47746 196.4960      32.33209 288.5969       28.73291 118.2883 10.15099 144.7747 7.370614 -26.48633      12.54466 
1 1 1 23  17 2  o 74.76080 10.66903 85.43583       20.75218 80.69070      32.20527 88.80502       27.13725 71.38569 16.99844 78.13591 12.89828 -6.750221      21.33805 
1 1 1 23  17 3  o 59.34196 11.31361 55.97010       19.61447 81.84102      28.40735 32.39817       27.11580 72.10882 15.11385 46.57509 16.83933 25.53373       22.62723 
1 1 1 23  17 4  o 62.67921 11.82287 68.67992       21.13624 48.02628      31.01266 86.59451       28.88313 52.54763 18.09449 72.81078 15.22203 -20.26314      23.64573 
1 1 1 23  17 5  o 58.31448 12.34023 62.56028       22.66503 35.06091      31.76147 91.09369       32.35312 45.38768 17.81015 71.24128 17.08579 -25.85360      24.68047 
1 1 1 23  19 0  o 154.8155 4.720869 328.8936       19.64374 356.1866      28.71121 304.8736       26.93471 160.8577 6.628671 148.7734 6.723625 12.08423       9.441738 
1 1 1 23  19 1  o 43.04020 11.02244 25.39809       17.18886 37.97586      23.98448 12.11641       24.64648 49.04544 15.89677 37.03497 15.27315 12.01047       22.04487 
1 1 1 23  19 2  o 111.9595 7.013728 182.5118       20.95782 210.7201      29.87539 155.1796       29.40779 121.1028 9.161704 102.8162 10.62227 18.28654       14.02746 
1 1 1 23  19 3  o 37.26389 11.10597 9.209152       20.83737 -17.98442     30.70565 32.42264       28.36974 30.34709 14.33127 44.18070 16.97012 -13.83362      22.21194 
1 1 1 23  21 0  o 53.83825 16.92872 54.87462       50.16790 29.87900      73.02468 77.21632       69.03921 49.84877 23.06039 57.82772 24.79000 -7.978943      33.85744 
1 1 1 23  21 1  o 47.24084 12.08197 42.69608       21.40262 52.63563      22.69300 -37.32231      64.38776 55.40454 14.89117 39.07715 19.03022 16.32739       24.16394 
1 1 1 24  0  0  o 40.72033 14.63974 7.915264       28.14573 67.88792      39.38790 -54.66074      40.23371 59.32426 24.70019 22.11640 15.72224 -0.000000      0.000000 
1 1 1 24  0  1  o 466.5145 8.072907 2947.637       101.1230 2842.455      138.5033 3067.717       147.9863 457.6584 11.25457 475.3707 11.57679 -0.000000      0.000000 
1 1 1 24  0  2  o 25.84567 12.65287 -58.44259      30.99141 -118.7284     43.61644 3.029936       44.04363 18.13997 13.31935 33.55138 21.51687 -0.000000      0.000000 
1 1 1 24  0  3  o 79.02502 18.85326 116.4283       36.13733 124.4840      47.66312 105.5366       55.42171 85.57743 23.90531 72.47260 29.16020 -0.000000      0.000000 
1 1 1 24  0  4  o 35.67542 16.72684 -14.96432      42.30420 -29.06523     57.49795 1.677827       62.46452 32.19232 21.87932 39.15853 25.30700 -0.000000      0.000000 
1 1 1 24  0  5  o 199.3893 7.921371 548.9799       42.09879 596.6911      59.73583 501.8997       59.33951 208.2868 10.71573 190.4919 11.66900 -0.000000      0.000000 
1 1 1 24  0  6  o 47.66623 19.10730 47.40335       38.37602 56.80197      52.39693 36.52780       56.36371 50.83226 27.46116 44.50019 26.57519 -0.000000      0.000000 
1 1 1 24  0  7  f 98.86035 16.21972 169.6943       36.44722 202.0980      48.61605 128.1098       55.07425 116.2678 16.48543 81.45290 27.93828 -0.000000      0.000000 
1 1 1 24  0  8  o 159.5099 10.13974 373.0919       42.21211 409.2858      57.98650 332.2886       61.56825 169.0932 12.90853 149.9266 15.64055 -0.000000      0.000000 
1 1 1 24  0  9  o 41.11719 17.92765 38.93042       38.64133 30.85714      52.02935 48.86091       57.70438 38.55412 24.17052 43.68026 26.48375 -0.000000      0.000000 
1 1 1 24  2  0  o 171.5179 5.140643 397.8094       23.73713 396.9732      33.88082 398.6154       33.26635 171.3333 7.343936 171.7025 7.195237 -0.3692474     10.28129 
1 1 1 24  2  1  o 60.22181 12.81588 50.87210       22.38874 48.97990      30.11314 53.21085       33.47851 58.96820 17.61456 61.47542 18.62025 -2.507217      25.63175 
1 1 1 24  2  2  o 71.71355 11.39778 70.79798       23.34532 119.2721      34.41239 29.46783       31.77556 93.24949 13.70519 50.17760 18.21552 43.07188       22.79555 
1 1 1 24  2  3  f 175.2568 6.428862 417.9260       30.31512 431.8607      43.93830 405.2663       41.87984 178.0244 9.166007 172.4892 9.016951 5.535248       12.85772 
1 1 1 24  2  4  o 45.83201 13.68924 6.606565       29.30165 -8.109015     44.88559 17.53493       38.68082 43.82245 19.36208 47.84157 19.35694 -4.019119      27.37848 
1 1 1 24  2  5  o 110.8353 9.046243 172.5413       26.94624 172.6200      39.32019 172.4717       37.00094 110.7145 13.18947 110.9560 12.38450 -0.2414856     18.09249 
1 1 1 24  2  6  o 49.88175 13.56116 28.97932       25.70054 33.00707      35.97853 24.78269       36.72508 51.27286 19.24468 48.49065 19.11183 2.782207       27.12231 
1 1 1 24  2  7  o 118.7851 8.173949 200.4895       26.08324 208.8042      38.48441 193.4248       35.47379 120.9075 11.82083 116.6627 11.29255 4.244827       16.34790 
1 1 1 24  2  8  o 79.99767 12.12122 102.2647       26.03191 72.89454      35.74851 135.4200       37.98232 65.64718 19.08323 94.34814 14.95081 -28.70097      24.24245 
1 1 1 24  2  9  f 47.02209 12.82885 24.42093       26.29258 -14.86960     36.24347 68.06870       38.20030 34.18492 15.96019 59.85928 20.08955 -25.67436      25.65771 
1 1 1 24  4  0  o 314.2348 4.703542 1334.427       39.79079 1328.861      56.75387 1339.808       55.80353 313.5782 6.721501 314.8915 6.581386 -1.313324      9.407084 
1 1 1 24  4  1  o 222.8974 5.161816 672.8156       30.97054 652.6620      43.77871 693.0065       43.81923 219.5370 7.405797 226.2578 7.192464 -6.720764      10.32363 
1 1 1 24  4  2  o 192.0428 7.368392 500.1955       38.10256 0.000000      0.000000 500.1955       38.10256 ?        ?        192.0428 7.368392 ?              ?        
1 1 1 24  4  3  o 96.26345 13.13482 130.2339       32.65929 144.6527      49.28406 118.9444       43.60923 101.0272 18.80909 91.49971 18.33883 9.527481       26.26964 
1 1 1 24  4  4  o 284.9936 5.296749 1124.499       40.61282 1091.255      58.01035 1156.457       56.87683 280.6679 7.675901 289.3192 7.300871 -8.651367      10.59350 
1 1 1 24  4  5  o 74.36387 13.01498 86.22738       26.04384 74.32497      38.28815 96.47643       35.52947 68.97333 19.65963 79.75441 17.06042 -10.78108      26.02997 
1 1 1 24  4  6  f 85.42659 11.47860 110.7165       25.44595 158.2911      36.44394 65.46022       35.54492 105.7288 12.80114 65.12435 19.05687 40.60447       22.95721 
1 1 1 24  4  7  o 41.59072 12.47228 10.36336       24.24131 10.93133      33.72449 9.756180       34.86891 41.52431 17.54520 41.65714 17.73124 -0.1328278     24.94456 
1 1 1 24  4  8  o 38.87220 12.19825 0.8512881      25.58965 -7.390096     35.83121 9.430489       36.55820 36.64177 16.65028 41.10263 17.83135 -4.460861      24.39649 
1 1 1 24  4  9  o 72.62820 13.52573 99.01692       26.81315 97.60723      37.49516 100.4923       38.35862 72.20316 19.02056 73.05323 19.23536 -0.8500671     27.05145 
1 1 1 24  6  0  o 162.6046 6.054311 359.6608       26.41243 343.6706      38.48686 373.8961       36.31344 159.1179 8.982767 166.0913 8.119644 -6.973450      12.10862 
1 1 1 24  6  1  f 242.3465 4.929051 793.0624       31.95125 807.5987      48.23246 781.6951       42.65215 244.2587 7.333410 240.4343 6.588116 3.824417       9.858102 
1 1 1 24  6  2  o 110.9921 8.883661 169.0501       26.07142 196.3492      41.96473 151.8899       33.27148 117.8481 13.22448 104.1361 11.86553 13.71192       17.76732 
1 1 1 24  6  3  o 198.1173 6.349587 529.3434       33.73224 558.8884      50.52871 505.5898       45.30657 203.0421 9.242056 193.1925 8.709388 9.849686       12.69917 
1 1 1 24  6  4  f 46.54654 13.30240 14.97799       25.91178 29.19298      39.16179 3.908668       34.55807 51.67612 19.91501 41.41696 17.64107 10.25916       26.60479 
1 1 1 24  6  5  o 92.85380 10.55978 124.0808       26.39128 128.4930      37.93706 119.9431       36.73763 94.45950 14.91539 91.24809 14.95216 3.211411       21.11956 
1 1 1 24  6  6  o 120.6717 8.393502 210.3286       26.80514 179.3859      39.46473 236.8294       36.52240 111.5719 13.13624 129.7715 10.45193 -18.19965      16.78700 
1 1 1 24  6  7  o 38.74149 12.12525 -1.134763      25.10463 -8.554188     35.16449 6.577669       35.85212 36.67179 16.59663 40.81120 17.68159 -4.139408      24.25051 
1 1 1 24  6  8  o 118.0520 8.410336 206.7659       26.69512 193.2903      37.45567 220.6775       38.05671 113.8398 12.21912 122.2641 11.55976 -8.424232      16.82067 
1 1 1 24  6  9  o 79.77657 12.84433 117.5315       27.07748 103.2091      38.71635 131.2446       37.88388 73.18368 19.35132 86.36947 16.89479 -13.18579      25.68867 
1 1 1 24  8  0  o 290.7474 4.914060 1144.073       38.44670 1133.647      55.23042 1153.875       53.55212 289.4334 7.086737 292.0614 6.809560 -2.628021      9.828120 
1 1 1 24  8  1  o 299.9750 5.182319 1244.201       41.81664 1194.953      59.57946 1292.015       58.70555 293.9092 7.528353 306.0409 7.123876 -12.13168      10.36464 
1 1 1 24  8  2  o 257.6514 6.122734 891.8727       42.26375 955.6055      63.75514 841.9093       56.44939 265.7736 8.908815 249.5291 8.401457 16.24451       12.24547 
1 1 1 24  8  3  o 79.11719 12.30288 92.90561       25.50982 111.6951      37.90063 77.34345       34.49241 86.71458 16.83900 71.51980 17.94133 15.19479       24.60575 
1 1 1 24  8  4  o 86.33806 11.48730 110.7580       25.62397 122.6463      38.45375 101.2632       34.36545 90.49448 16.38416 82.18163 16.10563 8.312851       22.97459 
1 1 1 24  8  5  o 64.84502 13.09236 65.60310       25.02216 42.73195      36.84218 85.18607       34.09108 55.02068 19.65979 74.66936 17.29543 -19.64868      26.18471 
1 1 1 24  8  6  o 46.23169 12.84543 19.54020       25.15855 46.13822      35.73160 -6.609884      35.42944 54.91745 19.38901 37.54593 16.85486 17.37152       25.69085 
1 1 1 24  8  7  o 58.56432 13.77345 58.37359       25.62757 66.90344      36.02485 49.63410       36.46486 62.33677 19.39595 54.79187 19.56090 7.544907       27.54689 
1 1 1 24  8  8  o 65.42313 13.87184 81.97070       26.49605 74.96087      37.76902 88.76360       37.18007 62.16965 19.92754 68.67660 19.30299 -6.506943      27.74369 
1 1 1 24  10 0  o 76.78937 11.21095 106.5204       27.61514 -6.814581     45.30708 173.5125       34.83339 42.77943 19.14221 110.7993 11.67550 -68.01988      22.42189 
1 1 1 24  10 1  o 138.5086 9.142329 261.6040       33.54826 257.5598      52.10960 264.4669       43.84293 137.4584 14.07871 139.5589 11.66699 -2.100418      18.28466 
1 1 1 24  10 2  o 165.8324 6.630998 367.1551       29.09005 448.1483      46.77017 316.0531       37.15041 180.1631 9.640950 151.5017 9.106735 28.66133       13.26200 
1 1 1 24  10 3  o 154.2314 6.943138 330.4346       28.37815 329.7846      44.14853 330.8922       37.04508 153.6767 10.66902 154.7861 8.888227 -1.109375      13.88628 
1 1 1 24  10 4  o 75.99608 12.04526 83.33531       25.47252 133.4626      38.72255 45.09695       33.82022 96.28371 14.93577 55.70845 18.90174 40.57526       24.09052 
1 1 1 24  10 5  o 185.5374 5.970631 478.0276       29.78255 480.0873      43.36883 476.1892       40.97115 185.7607 8.670427 185.3141 8.210813 0.4465485      11.94126 
1 1 1 24  10 6  o 53.01769 12.87567 37.15528       25.13172 77.10205      36.89267 2.567628       34.32890 67.37033 19.32928 38.66506 17.01501 28.70527       25.75134 
1 1 1 24  10 7  o 55.53708 13.74806 55.47599       26.01782 69.87885      36.52322 40.63671       37.07243 61.49961 19.58385 49.57455 19.30050 11.92506       27.49611 
1 1 1 24  10 8  f 64.26741 14.53424 85.83726       28.58838 79.82343      42.18212 90.94629       38.87964 61.20395 21.10127 67.33088 19.99283 -6.126934      29.06848 
1 1 1 24  12 0  o 37.96863 12.28236 -45.67869      31.21931 -108.4857     47.06479 3.670063       41.71863 30.39623 15.08175 45.54104 19.38985 -15.14481      24.56472 
1 1 1 24  12 1  o 45.14539 13.12812 13.21915       25.65068 9.182608      38.12724 16.55681       34.66982 44.76619 18.77098 45.52459 18.35865 -0.7583923     26.25624 
1 1 1 24  12 2  o 138.6018 7.295053 265.3770       27.11466 296.8198      40.48645 239.8037       36.51255 145.9939 10.29892 131.2098 10.33457 14.78410       14.59011 
1 1 1 24  12 3  o 105.0833 9.395226 154.1998       26.20645 195.5639      39.88832 122.7854       34.76142 117.5371 12.60339 92.62959 13.93684 24.90750       18.79045 
1 1 1 24  12 4  o 198.3782 5.676116 545.2604       30.26858 542.7078      44.03346 547.5471       41.67620 197.7679 8.268821 198.9885 7.778160 -1.220551      11.35223 
1 1 1 24  12 5  o 67.89032 12.74876 76.36785       24.51027 53.13411      34.36364 100.4285       34.96981 56.75729 19.05398 79.02335 16.94311 -22.26606      25.49751 
1 1 1 24  12 6  o 74.32179 12.70837 96.47072       25.20174 88.86166      36.64111 103.3020       34.71790 70.44445 18.91718 78.19914 16.97500 -7.754692      25.41673 
1 1 1 24  12 7  o 37.51273 11.76967 4.130606       24.80483 26.75884      34.58910 -19.82750      35.59100 42.82610 17.91268 32.19935 15.27208 10.62675       23.53934 
1 1 1 24  14 0  o 178.7332 6.233655 446.0477       29.46254 404.5675      44.81247 477.6291       39.10159 170.8565 9.740561 186.6100 7.781729 -15.75351      12.46731 
1 1 1 24  14 1  o 183.0928 6.037645 460.9548       29.50913 463.2615      44.79094 459.1857       39.22514 183.2415 9.077849 182.9441 7.962744 0.2973938      12.07529 
1 1 1 24  14 2  o 141.9351 6.678188 279.8978       25.47824 300.6977      37.31945 261.7401       34.86863 146.8603 9.437291 137.0099 9.451471 9.850372       13.35638 
1 1 1 24  14 3  o 92.95838 9.439853 125.6390       23.54570 133.0473      35.11145 119.5849       31.74044 95.24949 13.68998 90.66727 13.00107 4.582214       18.87971 
1 1 1 24  14 4  o 50.76901 12.77103 34.77459       24.58222 67.68253      35.04327 2.893344       34.49228 62.94019 19.04742 38.59783 17.01742 24.34235       25.54206 
1 1 1 24  14 5  o 52.41897 19.15768 48.91316       35.23279 48.91316      35.23279 0.000000       0.000000 52.41897 19.15768 ?        ?        ?              ?        
1 1 1 24  14 6  f 76.40099 13.18293 109.6938       26.89267 113.0313      37.85107 106.2917       38.21550 78.07006 18.32070 74.73191 18.96076 3.338150       26.36586 
1 1 1 24  16 0  o 75.58263 10.84191 90.62108       21.06481 61.62153      33.11816 110.3242       27.29848 62.80233 18.39982 88.36295 11.47321 -25.56062      21.68382 
1 1 1 24  16 1  o 50.02628 12.45291 37.07565       21.15006 23.08015      35.62050 44.69655       26.28508 46.23690 18.62175 53.81564 16.53876 -7.578739      24.90583 
1 1 1 24  16 2  o 134.3933 6.401659 255.0421       22.97923 246.9294      34.39191 261.5847       30.88526 132.0424 9.672966 136.7443 8.388007 -4.701889      12.80332 
1 1 1 24  16 3  o 39.25424 11.52794 7.271811       22.16434 34.30429      30.52695 -22.86621      32.23279 47.23875 17.72754 31.26973 14.74138 15.96902       23.05589 
1 1 1 24  16 4  o 34.68156 11.24488 -4.365476      23.68258 -8.894480     32.05088 1.080897       35.14732 32.95078 15.25531 36.41233 16.52467 -3.461552      22.48975 
1 1 1 24  18 0  o 91.72591 7.409511 119.3949       18.23166 133.6205      27.09363 107.6229       24.64667 96.72099 10.40311 86.73083 10.55362 9.990166       14.81902 
1 1 1 24  18 1  o 116.9702 6.520007 193.4893       20.44699 216.0728      30.62550 175.3268       27.46482 123.0599 9.242370 110.8805 9.198944 12.17933       13.04001 
1 1 1 24  18 2  o 91.95017 8.836673 126.2429       21.45939 152.7760      34.74684 109.8824       27.28473 99.00031 13.03453 84.90003 11.93516 14.10028       17.67335 
1 1 1 24  18 3  o 34.24622 10.91360 1.060856       20.83720 7.423894      32.73647 -3.272969      27.01689 36.79483 16.38162 31.69761 14.42459 5.097219       21.82719 
1 1 1 24  20 0  o 50.19048 10.53719 35.05573       16.67331 76.06849      27.72544 11.82056       20.86853 66.48671 15.73208 33.89425 14.02253 32.59246       21.07439 
1 1 1 25  1  0  o 96.94305 10.13340 130.5685       25.40650 102.0549      34.75587 163.2901       37.23226 84.67733 15.82513 109.2088 12.66130 -24.53145      20.26680 
1 1 1 25  1  1  o 153.5506 6.432935 320.5230       26.49960 352.9991      39.55138 294.0689       35.69657 160.5425 9.149306 146.5586 9.045486 13.98398       12.86587 
1 1 1 25  1  2  o 157.2969 8.121235 332.9778       34.25097 375.9586      51.04879 297.7878       46.19107 166.4631 11.38896 148.1306 11.58056 18.33247       16.24247 
1 1 1 25  1  3  o 190.2301 5.742314 501.8493       29.30874 459.3221      41.76919 543.0964       41.13571 182.0136 8.522537 198.4466 7.698249 -16.43303      11.48463 
1 1 1 25  1  4  o 111.6020 8.671838 177.1487       25.83654 161.1552      37.83481 191.1236       35.36670 106.4343 13.20160 116.7697 11.24815 -10.33541      17.34368 
1 1 1 25  1  5  o 123.7807 8.237258 215.8838       27.26405 207.6893      40.51488 222.6660       36.85837 121.2847 12.40581 126.2768 10.84000 -4.992149      16.47452 
1 1 1 25  1  6  o 121.0079 8.213274 209.5200       26.72971 201.3032      38.14265 217.4492       37.46936 118.4639 11.95753 123.5519 11.26272 -5.088066      16.42655 
1 1 1 25  1  7  o 55.36467 13.72484 50.91129       25.30688 53.46040      35.92584 48.40057       35.65437 56.42809 19.47259 54.30124 19.34691 2.126850       27.44967 
1 1 1 25  1  8  o 49.28215 13.65930 42.41072       26.48501 36.83612      37.28477 48.08858       37.62851 47.31266 19.05293 51.25163 19.57783 -3.938972      27.31859 
1 1 1 25  3  0  o 201.0212 5.340430 548.0735       28.85771 528.7125      41.55984 566.0993       40.10117 197.5466 7.813056 204.4958 7.282646 -6.949234      10.68086 
1 1 1 25  3  1  o 270.3762 5.107469 1009.483       37.17407 993.9805      52.90187 1024.605       52.24836 268.2302 7.324533 272.5221 7.120123 -4.291901      10.21494 
1 1 1 25  3  2  o 229.5680 6.548980 711.7045       40.28671 729.0177      60.31481 697.7582       54.13319 232.0308 9.653725 227.1052 8.852241 4.925629       13.09796 
1 1 1 25  3  3  o 140.4678 7.660992 283.0215       27.79417 204.3911      40.84175 350.8507       37.93300 120.9731 12.53811 159.9625 8.806752 -38.98937      15.32198 
1 1 1 25  3  4  o 116.5009 8.152239 190.2899       25.55107 198.6895      37.08398 182.6987       35.25471 118.9226 11.58080 114.0791 11.47698 4.843422       16.30448 
1 1 1 25  3  5  o 56.69612 13.82964 47.44760       25.87959 38.44706      37.31615 55.78824       35.92217 53.15438 19.66805 60.23787 19.44746 -7.083488      27.65928 
1 1 1 25  3  6  o 57.69047 12.51782 50.62676       23.93365 16.76712      34.54049 81.89835       33.19421 43.58989 18.03758 71.79105 17.36170 -28.20116      25.03563 
1 1 1 25  3  7  o 88.93272 11.08353 124.9474       25.87225 132.5962      36.07242 116.8443       37.12817 93.13568 14.38387 84.72975 16.86662 8.405930       22.16706 
1 1 1 25  3  8  o 40.75304 12.35374 15.20348       25.23051 35.50735      35.50296 -5.513619      35.86242 46.23482 18.60152 35.27127 16.26171 10.96355       24.70748 
1 1 1 25  5  0  o 194.7282 5.592414 508.9552       29.15314 563.6057      44.23627 466.9948       38.76157 203.8492 8.059094 185.6073 7.755733 18.24181       11.18483 
1 1 1 25  5  1  o 131.1490 9.788423 244.7664       32.86498 163.7007      47.50515 319.1818       45.51491 109.0948 16.17161 153.2033 11.03322 -44.10847      19.57685 
1 1 1 25  5  2  o 233.3049 5.933973 742.5212       37.16760 751.4083      54.84781 734.9748       50.54170 234.4785 8.687062 232.1313 8.085982 2.347198       11.86795 
1 1 1 25  5  3  o 50.88377 13.57339 30.86240       25.35316 28.53859      37.53736 32.81173       34.37992 50.57127 19.49526 51.19628 18.89134 -0.6250153     27.14678 
1 1 1 25  5  4  o 64.78648 13.23427 62.27752       26.35745 95.89133      37.66518 30.02115       36.89682 79.21622 18.05929 50.35673 19.35059 28.85950       26.46854 
1 1 1 25  5  5  o 92.56181 10.60697 130.2097       25.09090 107.8068      37.45640 148.4452       33.79343 83.30318 17.26577 101.8204 12.32577 -18.51726      21.21395 
1 1 1 25  5  6  f 106.2084 9.101260 164.4876       25.66962 201.6739      37.52287 131.7746       35.19362 118.1397 11.79551 94.27715 13.86354 23.86258       18.20252 
1 1 1 25  5  7  o 104.7240 9.589248 166.6393       26.92362 147.3129      36.81289 188.8653       39.47816 97.84623 13.97245 111.6019 13.13718 -13.75562      19.17850 
1 1 1 25  5  8  o 146.8985 7.584899 324.3915       29.97026 333.7890      43.59516 315.9700       41.26913 148.6758 10.88967 145.1211 10.56115 3.554657       15.16980 
1 1 1 25  7  0  o 95.30676 10.81268 124.6897       26.46897 166.6731      43.94229 100.7822       33.15974 107.8964 15.12490 82.71712 15.45619 25.17928       21.62536 
1 1 1 25  7  1  o 186.7009 7.000118 474.6934       34.35923 461.9812      54.46786 483.0953       44.28123 184.4720 10.96545 188.9299 8.704337 -4.457855      14.00024 
1 1 1 25  7  2  o 82.87749 11.57437 101.7177       24.56916 90.86047      39.33068 108.6659       31.46345 77.63811 18.97421 88.11687 13.26062 -10.47876      23.14875 
1 1 1 25  7  3  o 67.16460 13.23660 69.89865       24.69016 68.97588      37.81899 70.58411       32.59485 66.52915 19.70990 67.80006 17.67343 -1.270905      26.47320 
1 1 1 25  7  4  o 125.6808 8.060981 220.0564       27.14088 240.9964      40.99166 203.7109       36.21638 130.8499 11.63426 120.5118 11.16072 10.33806       16.12196 
1 1 1 25  7  5  o 54.77640 13.68905 45.05044       25.76040 31.23152      36.76096 58.38368       36.10919 49.31726 19.21400 60.23554 19.50338 -10.91827      27.37809 
1 1 1 25  7  6  o 43.58041 13.03279 17.02135       26.37795 19.75091      36.59087 14.06811       38.06063 44.16623 18.44421 42.99459 18.41809 1.171635       26.06559 
1 1 1 25  7  7  o 156.9649 7.070021 361.4096       29.87828 369.0141      42.48664 353.9692       42.02566 158.6680 9.944427 155.2619 10.05232 3.406082       14.14004 
1 1 1 25  9  0  o 161.2359 8.315398 355.9725       35.48132 337.2380      54.70026 369.5805       46.61928 157.3941 12.90676 165.0776 10.48803 -7.683441      16.63080 
1 1 1 25  9  1  o 37.41909 12.00264 -16.17126      26.22958 -28.67011     40.47947 -7.125260      34.43721 36.76137 17.06347 38.07682 16.88464 -1.315453      24.00527 
1 1 1 25  9  2  o 65.99179 12.95011 68.59024       26.15824 30.25002      39.28599 99.12610       35.06028 50.95120 19.85951 81.03238 16.62592 -30.08118      25.90022 
1 1 1 25  9  3  o 190.7612 6.056894 500.8992       30.97954 501.5404      45.96852 500.3657       41.93248 190.6789 8.953122 190.8435 8.159992 -0.1646576     12.11379 
1 1 1 25  9  4  o 125.2681 7.892293 222.5870       26.60576 232.0230      38.36968 213.8486       36.92438 127.8305 11.14732 122.7058 11.17544 5.124657       15.78459 
1 1 1 25  9  5  o 35.04551 11.29773 -21.15944      24.69660 10.99467      35.85939 -50.17169      34.06240 41.72126 17.87522 28.36975 13.82141 13.35151       22.59546 
1 1 1 25  9  6  o 90.04705 11.80006 139.3174       27.41800 72.04974      38.46386 208.8057       39.09364 62.33563 20.12361 117.7585 12.32907 -55.42284      23.60012 
1 1 1 25  9  7  o 49.61256 13.90842 46.59650       27.73701 42.36657      40.66766 50.27563       37.92762 48.28100 19.73050 50.94413 19.60828 -2.663128      27.81685 
1 1 1 25  11 0  o 230.0067 5.757312 724.8841       35.30912 702.2056      53.32014 742.5963       47.12165 226.5476 8.740745 233.4658 7.495729 -6.918198      11.51462 
1 1 1 25  11 1  o 51.53225 13.39540 35.48492       24.36118 27.35753      39.24754 40.57872       31.07120 49.96266 19.73650 53.10184 18.11677 -3.139179      26.79080 
1 1 1 25  11 2  o 157.7970 6.648377 347.1442       28.00888 313.8926      40.95605 376.3590       38.38948 150.3073 10.11940 165.2867 8.625631 -14.97946      13.29675 
1 1 1 25  11 3  o 100.7693 9.798252 148.9131       26.37937 140.7819      39.02412 155.7550       35.79662 97.64764 14.84185 103.8910 12.79619 -6.243332      19.59650 
1 1 1 25  11 4  o 89.22235 11.48937 130.8535       25.95748 77.56124      37.82981 178.2689       35.68302 67.67744 19.61865 110.7673 11.96373 -43.08984      22.97874 
1 1 1 25  11 5  o 36.85705 11.79071 -3.801536      25.17705 4.357005      35.86591 -11.72756      35.35114 38.80223 17.21761 34.91187 16.11327 3.890362       23.58142 
1 1 1 25  11 6  o 55.19976 13.74735 59.42741       26.04220 43.50116      36.41623 76.09721       37.25662 48.70910 19.08309 61.69042 19.79379 -12.98132      27.49470 
1 1 1 25  13 0  o 107.2292 9.745474 165.3426       27.27184 157.2014      43.58458 170.5811       34.96184 104.2385 15.52821 110.2200 11.78014 -5.981544      19.49095 
1 1 1 25  13 1  o 153.1892 6.761343 327.6415       27.52719 320.0284      42.15103 333.3029       36.34887 151.1999 10.35317 155.1785 8.699129 -3.978683      13.52269 
1 1 1 25  13 2  o 111.8803 8.223809 176.3464       24.58518 207.8458      37.34407 152.2507       32.66185 120.6437 11.49565 103.1169 11.76326 17.52689       16.44762 
1 1 1 25  13 3  o 71.30537 12.39414 84.87150       24.17089 62.27369      35.16946 105.1001       33.27477 60.80108 19.20223 81.80967 15.67587 -21.00859      24.78828 
1 1 1 25  13 4  o 72.19315 11.91828 85.31313       25.11195 140.1795      37.70866 41.59032       33.66215 94.32974 14.84599 50.05655 18.64881 44.27319       23.83655 
1 1 1 25  13 5  o 67.93826 13.40380 88.90585       25.62046 79.94025      36.71519 97.41528       35.76895 63.58629 19.54745 72.29022 18.34516 -8.703934      26.80761 
1 1 1 25  15 0  o 43.71812 12.50100 17.77386       22.31182 26.48060      35.90093 12.29467       28.47976 47.64229 18.85839 39.79394 16.41528 7.848354       25.00201 
1 1 1 25  15 1  o 141.8440 7.234440 293.0930       26.75206 240.6203      40.62465 333.2702       35.54784 129.2313 11.67451 154.4567 8.547184 -25.22543      14.46888 
1 1 1 25  15 2  o 34.01162 11.05774 -12.55012      23.28049 -6.812355     33.00548 -18.23130      32.84231 35.30005 16.01734 32.72319 15.24926 2.576859       22.11549 
1 1 1 25  15 3  o 32.72671 10.82421 -19.87124      24.12909 -39.25560     33.47290 1.097481       34.81397 28.63758 13.89444 36.81584 16.60117 -8.178259      21.64842 
1 1 1 25  15 4  f 58.98365 13.17354 65.45174       24.26170 44.15957      32.68204 91.59061       36.21117 48.88323 18.34302 69.08408 18.91303 -20.20084      26.34709 
1 1 1 25  17 0  o 132.9131 6.173776 255.0272       21.34840 222.1616      33.41558 277.6931       27.75006 124.5827 9.961114 141.2436 7.296454 -16.66087      12.34755 
1 1 1 25  17 1  o 81.64763 10.01369 104.9052       21.11282 106.6832      32.99763 103.6727       27.47212 80.49438 15.78827 82.80087 12.32179 -2.306496      20.02738 
1 1 1 25  17 2  o 30.04332 10.01661 -16.89173      20.99597 -29.91326     33.79532 -8.706430      26.79432 29.77421 14.32574 30.31243 14.00369 -0.5382214     20.03323 
1 1 1 25  19 0  o 50.93510 12.01724 45.24137       19.28965 60.35992      30.09788 34.70268       25.12894 56.84747 17.73543 45.02273 16.22069 11.82474       24.03448 
1 1 1 26  0  0  o 122.1802 13.19363 217.8249       40.18803 217.9504      54.49130 217.6753       59.50846 122.7703 17.51567 121.5901 19.73547 -0.000000      0.000000 
1 1 1 26  0  1  o 28.18595 14.02714 -64.45093      41.56527 -53.14425     59.44130 -75.26964      58.14448 29.60365 20.63597 26.76825 19.00525 -0.000000      0.000000 
1 1 1 26  0  2  o 50.92943 19.13377 53.42034       34.50232 47.07891      43.61984 64.01855       56.39063 47.35892 25.22381 54.49994 28.77784 -0.000000      0.000000 
1 1 1 26  0  3  o 42.27288 17.81930 32.59693       34.79507 33.68229      43.25614 30.60715       58.56837 41.38379 23.92938 43.16197 26.41013 -0.000000      0.000000 
1 1 1 26  0  4  o 149.1806 11.06276 326.3307       41.67923 339.0372      53.66963 307.0237       66.15667 154.5546 13.11343 143.8065 17.82069 -0.000000      0.000000 
1 1 1 26  0  5  o 78.92709 19.50718 127.0999       38.24277 136.7959      48.30863 110.8232       62.59098 88.89716 23.35806 68.95702 31.24934 -0.000000      0.000000 
1 1 1 26  0  6  o 41.31935 17.68781 37.71515       36.13083 34.11855      48.77128 42.09003       53.79001 39.92735 24.27544 42.71135 25.73203 -0.000000      0.000000 
1 1 1 26  0  7  o 71.57315 20.04170 122.0054       37.55340 125.9715      49.81094 116.7824       57.16171 76.45650 26.72946 66.68981 29.86997 -0.000000      0.000000 
1 1 1 26  2  0  o 38.64297 12.56512 -37.08546      31.18475 -72.89696     47.35635 -9.666104      41.43769 34.75902 16.78287 42.52692 18.70466 -7.767902      25.13024 
1 1 1 26  2  1  o 48.68230 13.89813 15.33806       29.06748 -4.731734     40.63937 36.36025       41.59245 42.29593 18.56518 55.06867 20.68733 -12.77274      27.79625 
1 1 1 26  2  2  o 181.7443 5.990555 451.8470       29.25366 459.9159      42.95218 444.8659       39.95236 183.1689 8.708633 180.3197 8.228407 2.849213       11.98111 
1 1 1 26  2  3  o 45.23692 12.70009 13.28270       24.74494 40.06117      35.53050 -11.93906      34.48230 53.86905 19.30045 36.60478 16.51248 17.26427       25.40018 
1 1 1 26  2  4  o 104.9346 9.553488 159.5585       26.83116 139.4383      37.64008 180.3441       38.25744 97.75908 14.29914 112.1101 12.67324 -14.35105      19.10698 
1 1 1 26  2  5  o 105.6430 9.504657 163.9070       27.02357 170.9662      38.82077 157.2704       37.64074 107.9007 13.36154 103.3853 13.52122 4.515404       19.00931 
1 1 1 26  2  6  o 74.21909 12.99829 94.84406       26.13590 77.41119      36.75481 112.6751       37.17222 66.12667 19.38658 82.31150 17.32002 -16.18483      25.99659 
1 1 1 26  2  7  o 37.51116 11.99477 3.534813       25.91970 12.15326      37.79122 -4.120611      35.61730 39.70869 17.64418 35.31363 16.25365 4.395069       23.98954 
1 1 1 26  4  0  o 265.3611 6.221912 949.3412       44.27681 985.0192      66.13479 920.3594       59.60654 269.8223 9.102669 260.8999 8.484702 8.922363       12.44382 
1 1 1 26  4  1  o 300.0362 5.403918 1244.968       43.61566 1253.142      63.16991 1237.521       60.29423 300.8109 7.798900 299.2614 7.482411 1.549469       10.80784 
1 1 1 26  4  2  o 120.2665 8.329061 198.4570       26.47014 226.9402      42.63570 180.5924       33.76579 126.8245 12.48495 113.7085 11.02810 13.11601       16.65812 
1 1 1 26  4  3  o 80.93778 12.11034 99.11890       25.51563 94.04611      37.41897 103.5275       34.88343 78.49842 18.07642 83.37714 16.12093 -4.878723      24.22068 
1 1 1 26  4  4  o 74.79443 12.51845 88.27142       24.81052 87.25431      35.75394 89.21605       34.45676 74.15395 18.07146 75.43492 17.32827 -1.280975      25.03691 
1 1 1 26  4  5  o 58.12923 13.61226 55.48778       24.70520 58.25114      37.07647 53.28109       33.13216 59.15521 19.79213 57.10325 18.69347 2.051960       27.22452 
1 1 1 26  4  6  o 74.64111 13.25275 99.08844       26.66381 89.50462      40.11640 106.6730       35.68758 69.69285 20.20287 79.58939 17.15767 -9.896538      26.50550 
1 1 1 26  4  7  o 78.97581 13.24614 117.3209       27.75897 111.2586      40.45821 122.7131       38.15701 75.62675 19.67881 82.32489 17.73654 -6.698143      26.49228 
1 1 1 26  6  0  o 75.34575 14.26623 81.81936       28.88293 95.17364      46.96158 73.69456       36.63016 79.88443 21.40108 70.80707 18.87048 9.077362       28.53246 
1 1 1 26  6  1  o 81.46762 12.33914 97.02314       26.22585 117.1976      39.26482 80.77367       35.23885 89.34874 16.94038 73.58649 17.94550 15.76225       24.67827 
1 1 1 26  6  2  o 209.0182 5.521001 597.9000       30.96768 619.6775      46.03753 579.9031       41.85103 212.3584 8.051171 205.6780 7.556748 6.680450       11.04200 
1 1 1 26  6  3  o 135.9631 7.455000 261.5140       27.00208 228.3393      39.18383 291.5144       37.26203 127.1977 11.44048 144.7285 9.561567 -17.53078      14.91000 
1 1 1 26  6  4  o 62.39382 12.12618 58.44092       25.35748 7.173413      36.17302 107.9763       35.55670 41.39884 17.84841 83.38880 16.41984 -41.98996      24.25235 
1 1 1 26  6  5  o 58.91161 13.52530 58.64471       25.99946 34.88698      37.58381 80.44786       36.00459 49.24773 19.35823 68.57550 18.89427 -19.32777      27.05059 
1 1 1 26  6  6  o 39.35967 12.45371 7.158904       27.14246 2.975664      38.11444 11.46318       38.66188 38.28482 17.30704 40.43453 17.91217 -2.149712      24.90742 
1 1 1 26  8  0  o 159.4620 6.659184 347.7842       28.17163 355.5154      43.95248 342.3932       36.70202 160.7165 10.15639 158.2074 8.615483 2.509033       13.31837 
1 1 1 26  8  1  o 169.1522 6.344883 389.4639       28.58133 434.5754      44.59710 358.0211       37.23262 177.1556 9.349068 161.1488 8.580507 16.00677       12.68977 
1 1 1 26  8  2  o 49.28342 13.24422 25.52094       25.15892 47.15971      37.07359 7.048791       34.25366 57.03376 19.77552 41.53308 17.62289 15.50068       26.48844 
1 1 1 26  8  3  o 134.5977 7.713730 259.3684       27.62336 229.2953      40.52853 285.4594       37.74996 126.6028 11.88869 142.5927 9.831863 -15.98988      15.42746 
1 1 1 26  8  4  o 130.6836 7.766023 245.4341       27.26265 248.0821      40.01755 243.1408       37.24230 131.0660 11.33906 130.3012 10.61463 0.7648315      15.53205 
1 1 1 26  8  5  o 127.8830 8.269195 243.0065       28.44913 234.2870      39.22865 252.6800       41.31899 125.5623 11.60275 130.2038 11.78535 -4.641563      16.53839 
1 1 1 26  8  6  o 55.39705 14.42715 63.37984       28.64851 55.42192      43.38337 69.53349       38.14959 52.35901 20.72902 58.43508 20.07184 -6.076065      28.85431 
1 1 1 26  10 0  f 195.1007 5.973707 520.2009       30.67773 543.9621      49.28414 505.1706       39.19743 198.2804 9.230898 191.9209 7.584935 6.359482       11.94741 
1 1 1 26  10 1  o 146.1716 7.019420 300.1154       27.14903 272.8024      41.21664 321.0479       36.08258 139.7501 10.95310 152.5931 8.781714 -12.84305      14.03884 
1 1 1 26  10 2  o 114.8172 8.652630 193.5830       25.98750 158.0396      38.90715 222.2135       34.91919 104.0526 13.88650 125.5818 10.32652 -21.52919      17.30526 
1 1 1 26  10 3  o 125.5236 8.031917 227.4247       27.04933 206.5448      38.24703 248.3188       38.26003 119.3454 11.90169 131.7019 10.78872 -12.35644      16.06383 
1 1 1 26  10 4  o 73.86658 12.51941 94.23043       26.78476 134.2593      37.65306 53.22450       38.10981 92.52277 15.11361 55.21039 19.96300 37.31239       25.03882 
1 1 1 26  10 5  o 35.91698 11.63405 -6.047246      26.07014 15.07486      36.75492 -27.43303      36.98362 40.16842 17.64289 31.66553 15.17013 8.502888       23.26810 
1 1 1 26  12 0  o 77.63529 12.81786 93.86905       26.03565 91.09777      40.56639 95.81011       33.95057 75.79638 19.69643 79.47421 16.40856 -3.677826      25.63573 
1 1 1 26  12 1  f 49.76904 12.94322 34.88346       22.91008 28.34539      34.85135 39.85873       30.40200 47.86980 18.69217 51.66827 17.90839 -3.798473      25.88644 
1 1 1 26  12 2  o 57.73231 11.17637 48.53503       23.57555 -12.64931     34.89194 99.93248       31.97980 35.38085 16.21147 80.08377 15.38939 -44.70292      22.35274 
1 1 1 26  12 3  o 53.87600 13.23677 47.26865       24.65652 71.57434      36.02871 25.85728       33.81559 63.24718 19.35067 44.50482 18.06654 18.74236       26.47354 
1 1 1 26  12 4  o 49.69676 12.45014 36.90750       25.21885 80.87816      35.39599 -8.424860      35.93989 64.82144 19.03081 34.57208 16.05778 30.24936       24.90028 
1 1 1 26  14 0  f 106.9989 9.015108 168.2301       25.51196 154.1283      38.73275 179.0362       33.90585 102.1196 14.08594 111.8783 11.25500 -9.758705      18.03022 
1 1 1 26  14 1  o 172.6355 6.380515 425.4711       29.34267 373.9121      42.69101 471.6391       40.39751 161.8868 9.793580 183.3842 8.181057 -21.49731      12.76103 
1 1 1 26  14 2  o 136.4538 7.368000 273.5280       26.94160 246.0385      38.20884 300.7099       37.99443 128.9805 11.00162 143.9272 9.803780 -14.94678      14.73600 
1 1 1 26  14 3  o 35.21996 11.40162 -2.826653      24.42586 -11.27021     34.12857 6.040257       34.97369 33.17522 15.48837 37.26469 16.73614 -4.089466      22.80324 
1 1 1 26  16 0  o 43.82415 12.15479 26.52935       21.51853 11.31335      34.83535 35.91795       27.36342 40.24639 17.43298 47.40191 16.94246 -7.155521      24.30958 
1 1 1 26  16 1  o 79.73183 11.71010 110.0985       24.10803 113.1317      36.87815 107.8349       31.85794 79.38675 17.70289 80.07690 15.33339 -0.6901474     23.42019 
1 1 1 27  1  0  o 59.11866 13.80457 44.67518       26.82058 78.69846      41.21285 19.67975       35.32441 71.66504 20.38621 46.57229 18.61900 25.09275       27.60914 
1 1 1 27  1  1  f 48.32835 13.68216 23.00660       26.84191 29.22730      40.71305 18.22363       35.69952 51.03701 20.12043 45.61968 18.54653 5.417336       27.36431 
1 1 1 27  1  2  f 175.1537 6.398867 424.2460       30.11431 403.9284      43.27818 443.3175       41.92994 170.9084 9.404204 179.3988 8.680030 -8.490402      12.79773 
1 1 1 27  1  3  o 52.02593 13.40691 33.29705       26.63696 3.138592      37.47976 64.07685       37.86388 41.09922 17.93950 62.95264 19.92876 -21.85342      26.81382 
1 1 1 27  1  4  o 52.91211 13.86145 43.27908       26.24738 45.43572      36.89708 41.06966       37.34579 53.73170 19.60987 52.09253 19.59624 1.639175       27.72291 
1 1 1 27  1  5  o 137.1576 7.813661 277.7798       28.76145 254.1797      40.70697 301.3056       40.64278 130.7673 11.56075 143.5479 10.51485 -12.78061      15.62732 
1 1 1 27  1  6  o 51.16975 13.11433 42.78995       27.39775 -1.877606     39.01888 86.23064       38.47929 36.84963 16.97969 65.48988 19.99082 -28.64025      26.22867 
1 1 1 27  3  0  o 83.60066 12.04671 103.3781       27.33399 166.6120      39.75781 46.69781       37.64119 109.1534 13.52701 58.04792 19.93772 51.10549       24.09342 
1 1 1 27  3  1  o 78.87799 12.09783 96.17197       25.79169 60.61455      37.18249 129.1460       35.80632 62.77913 19.73328 94.97685 14.00098 -32.19773      24.19566 
1 1 1 27  3  2  o 90.82091 10.85677 121.0548       25.87647 134.9587      37.20269 108.0239       36.01587 96.89476 14.25905 84.74705 16.37552 12.14771       21.71355 
1 1 1 27  3  3  o 48.36177 12.38117 23.02185       24.73855 -20.54231     36.15939 61.35522       33.91914 34.91315 16.17785 61.81038 18.74702 -26.89723      24.76234 
1 1 1 27  3  4  o 69.28203 13.59539 81.82650       26.24755 80.24229      38.43609 83.21085       35.92982 68.23762 19.77356 70.32643 18.66399 -2.088814      27.19078 
1 1 1 27  3  5  o 151.3884 7.231037 334.0573       29.42368 357.4438      43.17169 313.7706       40.20884 156.2799 10.25918 146.4969 10.19318 9.782974       14.46207 
1 1 1 27  3  6  o 43.30132 13.09838 25.56591       27.65091 12.08562      41.35142 36.46820       37.18773 40.41669 18.17111 46.18595 18.87010 -5.769257      26.19675 
1 1 1 27  5  0  o 48.05896 13.51863 19.40791       26.50336 38.30574      40.30626 5.013149       35.17780 54.53736 20.38898 41.58055 17.75676 12.95681       27.03726 
1 1 1 27  5  1  o 35.84650 11.59227 -19.59307      25.39808 -33.80726     37.07660 -7.026060      34.86221 33.64470 15.84553 38.04831 16.92461 -4.403614      23.18455 
1 1 1 27  5  2  f 53.03201 13.55822 40.30152       25.21443 29.98360      37.13058 49.13137       34.34885 49.44969 19.29796 56.61432 19.04966 -7.164623      27.11643 
1 1 1 27  5  3  o 74.44975 12.09849 89.20172       25.36342 50.29711      36.15977 126.8808       35.58570 56.37602 19.53125 92.52347 14.28368 -36.14745      24.19697 
1 1 1 27  5  4  o 51.17963 13.82671 41.15512       26.51535 39.26960      39.50122 42.70145       35.77223 50.75902 19.87806 51.60024 19.22431 -0.8412247     27.65342 
1 1 1 27  5  5  o 55.69646 13.68632 59.95181       25.93650 44.27063      38.06571 73.54041       35.43493 49.51646 19.47618 61.87645 19.23382 -12.36000      27.37264 
1 1 1 27  7  0  o 145.4397 7.075921 295.2602       27.27763 285.3153      42.02391 302.5010       35.85835 142.8826 10.92279 147.9968 8.998177 -5.114227      14.15184 
1 1 1 27  7  1  o 214.7709 5.687869 633.7824       32.70304 645.4854      49.13556 624.4754       43.81802 216.3127 8.435884 213.2291 7.631730 3.083633       11.37574 
1 1 1 27  7  2  o 80.59698 11.92865 102.4615       25.56990 72.06817      36.62753 131.3552       35.71245 66.54693 19.30826 94.64704 14.01294 -28.10011      23.85731 
1 1 1 27  7  3  o 41.00342 12.47001 8.799985       25.06386 18.79479      35.79092 -0.8182331     35.11018 43.88373 18.27663 38.12310 16.96965 5.760628       24.94001 
1 1 1 27  7  4  o 42.46064 12.56471 16.66935       25.44514 -7.109984     37.02899 37.94371       35.02436 36.35655 16.67398 48.56472 18.80069 -12.20817      25.12942 
1 1 1 27  7  5  f 67.63107 13.92062 89.13679       27.41211 115.9699      40.98183 67.41138       36.87563 77.37740 19.63670 57.88473 19.73662 19.49268       27.84123 
1 1 1 27  9  0  o 103.4703 10.49913 160.6908       27.39992 127.8714      41.41389 186.2409       36.54070 91.90548 17.37133 115.0352 11.79676 -23.12969      20.99825 
1 1 1 27  9  1  o 145.0905 6.983595 295.5852       27.27807 287.4685      38.30418 303.9374       38.85576 143.0275 9.945880 147.1535 9.806217 -4.125977      13.96719 
1 1 1 27  9  2  o 101.0939 9.544442 151.4642       25.94563 142.5509      36.57040 160.4977       36.81617 97.83134 13.88252 104.3565 13.10195 -6.525108      19.08888 
1 1 1 27  9  3  o 93.03672 10.85178 137.3344       26.59248 144.6723      37.80279 130.1463       37.41509 96.52001 14.54531 89.55343 16.10833 6.966583       21.70356 
1 1 1 27  9  4  o 52.35594 13.03129 48.36890       26.20474 10.23615      38.05216 82.76540       36.13993 39.34851 17.57947 65.36337 19.24111 -26.01487      26.06258 
1 1 1 27  11 0  o 152.9110 7.138759 335.8494       28.32980 300.0433      45.03008 359.3059       36.44643 145.0040 11.53292 160.8180 8.416606 -15.81401      14.27752 
1 1 1 27  11 1  o 95.89515 9.567615 136.9454       24.50839 131.2222      36.43240 141.6762       33.12360 93.40919 14.48488 98.38111 12.50381 -4.971924      19.13523 
1 1 1 27  11 2  o 70.00452 13.12596 85.81602       25.37874 73.88676      36.56038 96.90991       35.25703 64.32016 19.45318 75.68887 17.62773 -11.36871      26.25192 
1 1 1 27  11 3  o 42.28183 12.38463 22.20832       24.50290 -1.441659     36.32182 41.96017       33.19374 36.21319 16.57352 48.35047 18.40747 -12.13728      24.76927 
1 1 1 27  13 0  o 121.3255 8.637301 225.7199       26.47230 176.2923      42.10477 258.0306       34.04237 107.7575 14.51111 134.8935 9.372284 -27.13602      17.27460 
1 1 1 27  13 1  o 105.5901 9.375800 175.0348       25.66098 140.2395      38.60509 202.5780       34.34717 93.83186 15.27956 117.3483 10.87003 -23.51646      18.75160 
1 1 1 27  13 2  o 70.50067 11.83873 95.41635       26.06019 37.13106      38.89201 142.9096       35.10725 46.72915 19.21838 94.27220 13.83024 -47.54305      23.67745 
1 1 1 27  15 0  f 103.8876 9.411719 169.3513       26.13180 194.0252      37.56707 146.2202       36.37372 112.1566 12.43939 95.61854 14.12740 16.53804       18.82344 
1 1 1 27  15 1  o 39.83870 11.74780 6.389708       25.13193 -47.81539     38.08552 48.19822       33.44815 29.21773 14.31563 50.45968 18.63078 -21.24195      23.49560 
1 1 1 28  0  0  o 40.29301 17.47449 22.05212       38.06056 41.10124      49.29563 -6.064060      59.88926 44.88900 25.72480 35.69702 23.65725 -0.000000      0.000000 
1 1 1 28  0  1  o 27.11630 13.47461 -49.28814      37.98151 -43.05864     51.75779 -56.55729      55.91014 27.19398 19.02277 27.03862 19.08911 -0.000000      0.000000 
1 1 1 28  0  2  f 96.38919 17.14730 169.7400       37.46886 195.8481      48.14198 129.6259       59.67387 113.8113 16.77960 78.96706 29.90927 -0.000000      0.000000 
1 1 1 28  0  3  o 51.49150 18.28561 50.00929       38.54483 -6.198591     52.69638 114.6839       56.52613 31.95187 21.48969 71.03112 29.59133 -0.000000      0.000000 
1 1 1 28  0  4  o 26.48292 13.14966 -35.81510      36.12681 -18.95165     50.24548 -53.86345      51.98075 28.27204 19.53311 24.69381 17.61000 -0.000000      0.000000 
1 1 1 28  2  0  o 53.92015 13.23751 31.66442       26.58462 72.00939      38.69715 -4.395367      36.58440 68.18554 19.86430 39.65475 17.50247 28.53078       26.47503 
1 1 1 28  2  1  o 42.44625 12.58007 6.595757       25.19005 29.89483      36.72083 -14.11384      34.62015 49.25467 19.19966 35.63783 16.26055 13.61684       25.16014 
1 1 1 28  2  2  o 98.29607 9.828670 142.9906       25.91616 133.7003      37.29531 151.6655       36.03894 94.74147 14.61944 101.8507 13.14089 -7.109192      19.65734 
1 1 1 28  2  3  o 55.45825 13.97637 51.90876       26.44677 59.60621      37.74440 44.48490       37.06756 58.49751 19.96765 52.41899 19.56140 6.078526       27.95273 
1 1 1 28  2  4  o 34.05864 11.28958 -14.49172      26.05597 -15.93948     37.90493 -13.19478      35.87612 34.22744 16.08935 33.88984 15.84145 0.3376045      22.57917 
1 1 1 28  4  0  o 198.1050 5.933970 541.4184       31.49901 522.7341      46.40741 557.3796       42.89256 194.6878 8.852486 201.5222 7.904525 -6.834412      11.86794 
1 1 1 28  4  1  o 36.15538 11.66442 -13.98214      25.24831 -20.15057     36.79406 -8.492700      34.71000 35.43235 16.38340 36.87841 16.60779 -1.446064      23.32884 
1 1 1 28  4  2  o 54.66195 13.49590 47.18646       24.91209 35.05610      35.90024 58.45268       34.59787 49.80885 19.09996 59.51505 19.07220 -9.706200      26.99180 
1 1 1 28  4  3  o 65.52328 13.83364 76.73285       26.91959 94.98554      38.21365 58.75196       37.92805 73.54649 19.11914 57.50007 19.99843 16.04642       27.66729 
1 1 1 28  4  4  o 56.19017 13.94492 62.58458       27.48816 40.54918      39.89741 82.49589       37.92574 47.95417 19.56363 64.42617 19.87730 -16.47200      27.88984 
1 1 1 28  6  0  o 54.66766 12.96321 38.29277       25.69565 76.04286      36.54182 1.368781       36.13978 69.05202 19.03847 40.28331 17.59874 28.76872       25.92641 
1 1 1 28  6  1  o 135.7841 10.49989 261.2641       38.38989 0.000000      0.000000 261.2641       38.38989 ?        ?        135.7841 10.49989 ?              ?        
1 1 1 28  6  2  o 47.97636 12.84968 23.62552       25.61267 62.75311      37.42018 -10.86243      35.13161 60.34925 19.87170 35.60348 16.29640 24.74577       25.69936 
1 1 1 28  6  3  o 61.26387 13.68052 69.77052       25.85103 54.70110      37.05313 84.06188       36.08390 54.63416 19.69509 67.89359 18.99288 -13.25942      27.36103 
1 1 1 28  6  4  o 36.75152 11.61161 -3.309150      25.36023 -38.19623     36.42447 29.51312       35.33013 29.72319 14.43791 43.77984 18.18969 -14.05664      23.22322 
1 1 1 28  8  0  o 69.26917 13.43077 76.70483       26.11595 97.39121      38.71853 59.43729       35.37462 77.74376 18.71971 60.79457 19.26435 16.94919       26.86155 
1 1 1 28  8  1  o 111.9078 8.416313 182.9848       25.22130 165.2520      36.07293 199.9438       35.27699 106.0512 12.63230 117.7644 11.12485 -11.71320      16.83263 
1 1 1 28  8  2  o 139.4060 7.582176 284.9329       28.30910 253.4598      40.01448 316.4710       40.05577 131.0190 11.34225 147.7930 10.06533 -16.77394      15.16435 
1 1 1 28  8  3  o 55.24731 13.75647 58.41051       26.56496 82.81155      38.55554 36.35746       36.65363 64.17835 20.08152 46.31626 18.80677 17.86209       27.51295 
1 1 1 28  10 0  o 51.09184 13.00848 35.37815       26.04764 -2.477882     38.93448 66.04939       35.04552 39.49352 17.70323 62.69017 19.06511 -23.19666      26.01697 
1 1 1 28  10 1  o 82.03838 12.06780 114.7188       26.14851 84.29432      38.51207 140.7405       35.61658 68.32185 19.79169 95.75490 13.81363 -27.43305      24.13561 
1 1 1 28  10 2  o 41.56694 12.56835 13.89646       26.86365 44.61743      37.80124 -17.44901      38.18352 49.29022 19.40164 33.84367 15.98216 15.44655       25.13669 
1 1 1 28  12 0  o 98.22243 9.856562 147.9285       25.88611 163.5918      39.56253 136.2026       34.23059 102.3251 14.35881 94.11971 13.50674 8.205437       19.71312 
1 1 1 28  12 1  o 84.81714 11.82748 127.0244       26.28347 94.18314      37.29068 159.4455       37.05136 70.00739 19.20408 99.62689 13.81161 -29.61950      23.65496 
1 1 1 28  14 0  o 39.24048 17.65447 9.365217       39.11245 0.000000      0.000000 9.365217       39.11245 ?        ?        39.24048 17.65447 ?              ?        
1 1 1 29  1  0  o 129.1107 7.982263 237.1415       27.66252 241.0162      40.89018 233.8717       37.56272 129.8214 11.69740 128.4000 10.86447 1.421387       15.96453 
1 1 1 29  1  1  o 46.91235 13.18590 19.45892       27.37293 -14.01339     38.47796 53.75518       38.94867 36.77994 16.91565 57.04475 20.23197 -20.26480      26.37180 
1 1 1 29  1  2  o 70.10863 14.09571 89.77713       27.97836 97.64829      39.52292 81.87045       39.61198 73.66351 19.58708 66.55374 20.27567 7.109764       28.19142 
1 1 1 29  1  3  o 49.03103 13.62875 44.45016       26.36336 42.73882      38.04198 46.03151       36.56849 48.45153 19.33849 49.61053 19.20923 -1.159000      27.25751 
1 1 1 29  3  0  o 87.64584 11.57521 118.6772       26.55888 106.7553      38.63228 129.3616       36.57219 81.81538 18.02279 93.47630 14.53002 -11.66092      23.15043 
1 1 1 29  3  1  o 40.53931 12.52063 6.723817       25.80398 5.966514      37.99301 7.372265       35.15651 40.91877 17.95586 40.15986 17.45429 0.7589149      25.04127 
1 1 1 29  3  2  o 57.46988 12.92573 55.02056       25.74299 95.68357      36.97531 16.76859       35.86237 73.26562 18.68427 41.67414 17.86606 31.59147       25.85146 
1 1 1 29  3  3  o 50.17966 13.07875 41.75416       26.73230 79.22431      37.38021 2.530217       38.24500 62.85349 19.79038 37.50583 17.10424 25.34766       26.15749 
1 1 1 29  5  0  o 73.47211 11.91083 85.84684       26.02001 33.02465      36.27675 141.8170       37.34206 49.32048 19.12255 97.62373 14.20560 -48.30325      23.82165 
1 1 1 29  5  1  o 41.71907 12.65516 10.73947       25.86118 27.43187      37.82740 -3.909159      35.43608 46.43027 19.00788 37.00788 16.71265 9.422394       25.31032 
1 1 1 29  5  2  o 50.36852 13.41434 44.62221       25.49679 61.97477      36.53518 28.14767       35.59887 56.63427 19.63172 44.10278 18.28588 12.53149       26.82867 
1 1 1 29  7  0  o 35.20657 11.42585 -18.14056      25.51649 -42.62297     36.43866 5.415893       35.74294 30.59357 14.75909 39.81956 17.44617 -9.225994      22.85169 
1 1 1 29  7  1  o 111.6270 9.182469 192.0654       27.25297 165.8416      39.27947 216.4070       37.84365 102.9389 14.17108 120.3152 11.68125 -17.37633      18.36494 
1 1 1 29  7  2  o 59.34800 14.25528 71.90124       27.19990 72.73335      38.89222 71.10458       38.05441 59.55499 20.26927 59.14101 20.05015 0.4139748      28.51056 
1 1 1 29  9  0  o 62.87738 13.27342 67.68796       25.60027 102.8319      38.43077 39.65269       34.32468 76.40012 18.80730 49.35463 18.73552 27.04549       26.54683 
1 1 1 29  9  1  o 81.83551 12.63317 121.2380       27.10497 136.4028      38.91615 106.9504       37.77380 88.02956 17.03372 75.64146 18.66119 12.38809       25.26633 
1 1 1 29  11 0  o 47.78943 12.27520 18.29618       25.56060 88.54939      39.05336 -34.35175      33.80773 66.46334 20.10641 29.11552 14.08738 37.34782       24.55039 
1 1 1 30  0  0  o 149.6137 10.12395 327.6347       39.78990 300.3153      53.80775 360.6009       59.10777 142.5955 14.34683 156.6320 14.28796 -0.000000      0.000000 
1 1 1 30  0  1  o 56.26717 19.17258 83.92171       35.64685 101.8080      48.68626 63.25335       52.33588 65.27657 27.48743 47.25778 26.73559 -0.000000      0.000000 
1 1 1 30  2  0  o 53.33223 13.80762 47.51083       26.15359 56.93197      37.03753 38.14116       36.93622 56.99376 19.76566 49.67070 19.28522 7.323055       27.61523 
1 1 1 30  2  1  o 38.46502 11.88745 -6.661979      26.33696 42.19602      37.68385 -53.31386      36.82323 48.73238 19.31114 28.19767 13.86814 20.53471       23.77489 
1 1 1 30  4  0  f 46.34690 13.29153 30.07568       25.93620 25.26736      36.84500 34.79847       36.51586 44.81611 18.59418 47.87770 18.99779 -3.061588      26.58307 
1 1 1 30  4  1  o 36.75521 11.52785 -2.914406      25.34639 -47.26824     38.92795 29.72752       33.39519 29.75145 14.55498 43.75896 17.88066 -14.00751      23.05571 
1 1 1 30  6  0  o 52.04980 14.05967 49.47404       27.55151 59.60233      40.08261 40.40271       37.93357 55.45077 20.40820 48.64884 19.34433 6.801929       28.11934 
1 1 1 30  6  1  o 59.48529 14.15024 72.98580       27.13380 64.83103      42.33021 78.67344       35.35172 55.53347 20.86843 63.43711 19.11612 -7.903637      28.30048 
1 1 1 30  8  0  f 75.36699 14.11497 111.7387       29.16779 119.0451      41.19387 104.3928       41.30533 78.64703 19.53909 72.08694 20.37530 6.560089       28.22993 
1 1 1 31  1  0  o 36.53536 11.99957 -5.412676      28.37633 -5.129626     40.62569 -5.682325      39.65238 36.75069 17.07063 36.32003 16.86870 0.4306564      23.99915 
1 1 1 31  3  0  o 74.37943 13.81686 108.0103       28.18236 117.8049      39.44077 97.79223       40.28438 79.14394 18.78831 69.61492 20.26382 9.529022       27.63373 
# 
#END OF REFLECTIONS
